Thermodynamic properties of model CdTe/CdSe mixtures

DOE PAGES

van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; ...

2015-02-20

We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

Approximate Solutions for Ideal Dam-Break Sediment-Laden Flows on Uniform Slopes

NASA Astrophysics Data System (ADS)

Ni, Yufang; Cao, Zhixian; Borthwick, Alistair; Liu, Qingquan

2018-04-01

Shallow water hydro-sediment-morphodynamic (SHSM) models have been applied increasingly widely in hydraulic engineering and geomorphological studies over the past few decades. Analytical and approximate solutions are usually sought to verify such models and therefore confirm their credibility. Dam-break flows are often evoked because such flows normally feature shock waves and contact discontinuities that warrant refined numerical schemes to solve. While analytical and approximate solutions to clear-water dam-break flows have been available for some time, such solutions are rare for sediment transport in dam-break flows. Here we aim to derive approximate solutions for ideal dam-break sediment-laden flows resulting from the sudden release of a finite volume of frictionless, incompressible water-sediment mixture on a uniform slope. The approximate solutions are presented for three typical sediment transport scenarios, i.e., pure advection, pure sedimentation, and concurrent entrainment and deposition. Although the cases considered in this paper are not real, the approximate solutions derived facilitate suitable benchmark tests for evaluating SHSM models, especially presently when shock waves can be numerically resolved accurately with a suite of finite volume methods, while the accuracy of the numerical solutions of contact discontinuities in sediment transport remains generally poorer.

Non-Ideality in Solvent Extraction Systems: PNNL FY 2014 Status Report

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

Levitskaia, Tatiana G.; Chatterjee, Sayandev; Pence, Natasha K.

The overall objective of this project is to develop predictive modeling capabilities for advanced fuel cycle separation processes by gaining a fundamental quantitative understanding of non-ideality effects and speciation in relevant aqueous and organic solutions. Aqueous solutions containing actinides and lanthanides encountered during nuclear fuel reprocessing have high ionic strength and do not behave as ideal solutions. Activity coefficients must be calculated to take into account the deviation from ideality and predict their behavior. In FY 2012-2013, a convenient method for determining activity effects in aqueous electrolyte solutions was developed. Our initial experiments demonstrated that water activity and osmotic coefficientsmore » of the electrolyte solutions can be accurately measured by the combination of two techniques, a Water Activity Meter and Vapor Pressure Osmometry (VPO). The water activity measurements have been conducted for binary lanthanide solutions in wide concentration range for all lanthanides (La-Lu with the exception of Pm). The osmotic coefficients and Pitzer parameters for each binary system were obtained by the least squares fitting of the water activity data. However, application of Pitzer model for the quantitative evaluation of the activity effects in the multicomponent mixtures is difficult due to the large number of the required interaction parameters. In FY 2014, the applicability of the Bromley model for the determination of the Ln(NO 3) 3 activity coefficients was evaluated. The new Bromley parameters for the binary Ln(NO 3) 3 electrolytes were obtained based on the available literature and our experimental data. This allowed for the accurate prediction of the Ln(NO 3) 3 activity coefficients for the binary Ln(NO 3) 3 electrolytes. This model was then successfully implemented for the determination of the Ln(NO 3) 3 activity coefficients in the ternary Nd(NO 3) 3/HNO 3/H2O, Eu(NO 3) 3/HNO 3/H 2O, and Eu(NO 3) 3/NaNO 3/H 2O systems. The main achievement of this work is the verified pathway for the estimation of the activity coefficients in the multicomponent aqueous electrolyte systems. The accurate Bromley electrolytes contributions obtained in this work for the entire series of lanthanide(III) nitrates (except Pm) can be applied for predicting activity coefficients and non-ideality effects for multi-component systems containing these species. This work also provides the proof-of-principle of extending the model to more complex multicomponent systems. Moreover, this approach can also be applied to actinide-containing electrolyte systems, for determination of the activity coefficients in concentrated radioactive solutions.« less

Kirkwood–Buff integrals for ideal solutions

PubMed Central

Ploetz, Elizabeth A.; Bentenitis, Nikolaos; Smith, Paul E.

2010-01-01

The Kirkwood–Buff (KB) theory of solutions is a rigorous theory of solution mixtures which relates the molecular distributions between the solution components to the thermodynamic properties of the mixture. Ideal solutions represent a useful reference for understanding the properties of real solutions. Here, we derive expressions for the KB integrals, the central components of KB theory, in ideal solutions of any number of components corresponding to the three main concentration scales. The results are illustrated by use of molecular dynamics simulations for two binary solutions mixtures, benzene with toluene, and methanethiol with dimethylsulfide, which closely approach ideal behavior, and a binary mixture of benzene and methanol which is nonideal. Simulations of a quaternary mixture containing benzene, toluene, methanethiol, and dimethylsulfide suggest this system displays ideal behavior and that ideal behavior is not limited to mixtures containing a small number of components. PMID:20441282

The potential application of the blackboard model of problem solving to multidisciplinary design

NASA Technical Reports Server (NTRS)

Rogers, James L.

1989-01-01

The potential application of the blackboard model of problem solving to multidisciplinary design is discussed. Multidisciplinary design problems are complex, poorly structured, and lack a predetermined decision path from the initial starting point to the final solution. The final solution is achieved using data from different engineering disciplines. Ideally, for the final solution to be the optimum solution, there must be a significant amount of communication among the different disciplines plus intradisciplinary and interdisciplinary optimization. In reality, this is not what happens in today's sequential approach to multidisciplinary design. Therefore it is highly unlikely that the final solution is the true optimum solution from an interdisciplinary optimization standpoint. A multilevel decomposition approach is suggested as a technique to overcome the problems associated with the sequential approach, but no tool currently exists with which to fully implement this technique. A system based on the blackboard model of problem solving appears to be an ideal tool for implementing this technique because it offers an incremental problem solving approach that requires no a priori determined reasoning path. Thus it has the potential of finding a more optimum solution for the multidisciplinary design problems found in today's aerospace industries.

Example-Based Learning: Effects of Model Expertise in Relation to Student Expertise

ERIC Educational Resources Information Center

Boekhout, Paul; van Gog, Tamara; van de Wiel, Margje W. J.; Gerards-Last, Dorien; Geraets, Jacques

2010-01-01

Background: Worked examples are very effective for novice learners. They typically present a written-out ideal (didactical) solution for learners to study. Aims: This study used worked examples of patient history taking in physiotherapy that presented a "non"-didactical solution (i.e., based on actual performance). The effects of model expertise…

Simulation of Benchmark Cases with the Terminal Area Simulation System (TASS)

NASA Technical Reports Server (NTRS)

Ahmad, Nash'at; Proctor, Fred

2011-01-01

The hydrodynamic core of the Terminal Area Simulation System (TASS) is evaluated against different benchmark cases. In the absence of closed form solutions for the equations governing atmospheric flows, the models are usually evaluated against idealized test cases. Over the years, various authors have suggested a suite of these idealized cases which have become standards for testing and evaluating the dynamics and thermodynamics of atmospheric flow models. In this paper, simulations of three such cases are described. In addition, the TASS model is evaluated against a test case that uses an exact solution of the Navier-Stokes equations. The TASS results are compared against previously reported simulations of these banchmark cases in the literature. It is demonstrated that the TASS model is highly accurate, stable and robust.

Simulation of Benchmark Cases with the Terminal Area Simulation System (TASS)

NASA Technical Reports Server (NTRS)

Ahmad, Nashat N.; Proctor, Fred H.

2011-01-01

The hydrodynamic core of the Terminal Area Simulation System (TASS) is evaluated against different benchmark cases. In the absence of closed form solutions for the equations governing atmospheric flows, the models are usually evaluated against idealized test cases. Over the years, various authors have suggested a suite of these idealized cases which have become standards for testing and evaluating the dynamics and thermodynamics of atmospheric flow models. In this paper, simulations of three such cases are described. In addition, the TASS model is evaluated against a test case that uses an exact solution of the Navier-Stokes equations. The TASS results are compared against previously reported simulations of these benchmark cases in the literature. It is demonstrated that the TASS model is highly accurate, stable and robust.

Statistical mechanics of an ideal active fluid confined in a channel

NASA Astrophysics Data System (ADS)

Wagner, Caleb; Baskaran, Aparna; Hagan, Michael

The statistical mechanics of ideal active Brownian particles (ABPs) confined in a channel is studied by obtaining the exact solution of the steady-state Smoluchowski equation for the 1-particle distribution function. The solution is derived using results from the theory of two-way diffusion equations, combined with an iterative procedure that is justified by numerical results. Using this solution, we quantify the effects of confinement on the spatial and orientational order of the ensemble. Moreover, we rigorously show that both the bulk density and the fraction of particles on the channel walls obey simple scaling relations as a function of channel width. By considering a constant-flux steady state, an effective diffusivity for ABPs is derived which shows signatures of the persistent motion that characterizes ABP trajectories. Finally, we discuss how our techniques generalize to other active models, including systems whose activity is modeled in terms of an Ornstein-Uhlenbeck process.

Symmetry breaking in optimal timing of traffic signals on an idealized two-way street.

PubMed

Panaggio, Mark J; Ottino-Löffler, Bertand J; Hu, Peiguang; Abrams, Daniel M

2013-09-01

Simple physical models based on fluid mechanics have long been used to understand the flow of vehicular traffic on freeways; analytically tractable models of flow on an urban grid, however, have not been as extensively explored. In an ideal world, traffic signals would be timed such that consecutive lights turned green just as vehicles arrived, eliminating the need to stop at each block. Unfortunately, this "green-wave" scenario is generally unworkable due to frustration imposed by competing demands of traffic moving in different directions. Until now this has typically been resolved by numerical simulation and optimization. Here, we develop a theory for the flow in an idealized system consisting of a long two-way road with periodic intersections. We show that optimal signal timing can be understood analytically and that there are counterintuitive asymmetric solutions to this signal coordination problem. We further explore how these theoretical solutions degrade as traffic conditions vary and automotive density increases.

Symmetry breaking in optimal timing of traffic signals on an idealized two-way street

NASA Astrophysics Data System (ADS)

Panaggio, Mark J.; Ottino-Löffler, Bertand J.; Hu, Peiguang; Abrams, Daniel M.

2013-09-01

Simple physical models based on fluid mechanics have long been used to understand the flow of vehicular traffic on freeways; analytically tractable models of flow on an urban grid, however, have not been as extensively explored. In an ideal world, traffic signals would be timed such that consecutive lights turned green just as vehicles arrived, eliminating the need to stop at each block. Unfortunately, this “green-wave” scenario is generally unworkable due to frustration imposed by competing demands of traffic moving in different directions. Until now this has typically been resolved by numerical simulation and optimization. Here, we develop a theory for the flow in an idealized system consisting of a long two-way road with periodic intersections. We show that optimal signal timing can be understood analytically and that there are counterintuitive asymmetric solutions to this signal coordination problem. We further explore how these theoretical solutions degrade as traffic conditions vary and automotive density increases.

Surface tension and density of Si-Ge melts

NASA Astrophysics Data System (ADS)

Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

2014-06-01

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

Overall Performance Evaluation of Tubular Scraper Conveyors Using a TOPSIS-Based Multiattribute Decision-Making Method

PubMed Central

Yao, Yanping; Kou, Ziming; Meng, Wenjun; Han, Gang

2014-01-01

Properly evaluating the overall performance of tubular scraper conveyors (TSCs) can increase their overall efficiency and reduce economic investments, but such methods have rarely been studied. This study evaluated the overall performance of TSCs based on the technique for order of preference by similarity to ideal solution (TOPSIS). Three conveyors of the same type produced in the same factory were investigated. Their scraper space, material filling coefficient, and vibration coefficient of the traction components were evaluated. A mathematical model of the multiattribute decision matrix was constructed; a weighted judgment matrix was obtained using the DELPHI method. The linguistic positive-ideal solution (LPIS), the linguistic negative-ideal solution (LNIS), and the distance from each solution to the LPIS and the LNIS, that is, the approximation degrees, were calculated. The optimal solution was determined by ordering the approximation degrees for each solution. The TOPSIS-based results were compared with the measurement results provided by the manufacturer. The ordering result based on the three evaluated parameters was highly consistent with the result provided by the manufacturer. The TOPSIS-based method serves as a suitable evaluation tool for the overall performance of TSCs. It facilitates the optimal deployment of TSCs for industrial purposes. PMID:24991646

The structure of shock wave in a gas consisting of ideally elastic, rigid spherical molecules

NASA Technical Reports Server (NTRS)

Cheremisin, F. G.

1972-01-01

Principal approaches are examined to the theoretical study of the shock layer structure. The choice of a molecular model is discussed and three procedures are formulated. These include a numerical calculation method, solution of the kinetic relaxation equation, and solution of the Boltzmann equation.

Study of linear induction motor characteristics : the Mosebach model

DOT National Transportation Integrated Search

1976-05-31

This report covers the Mosebach theory of the double-sided linear induction motor, starting with the ideallized model and accompanying assumptions, and ending with relations for thrust, airgap power, and motor efficiency. Solutions of the magnetic in...

Master equation for a kinetic model of a trading market and its analytic solution

NASA Astrophysics Data System (ADS)

Chatterjee, Arnab; Chakrabarti, Bikas K.; Stinchcombe, Robin B.

2005-08-01

We analyze an ideal-gas-like model of a trading market with quenched random saving factors for its agents and show that the steady state income (m) distribution P(m) in the model has a power law tail with Pareto index ν exactly equal to unity, confirming the earlier numerical studies on this model. The analysis starts with the development of a master equation for the time development of P(m) . Precise solutions are then obtained in some special cases.

Master equation for a kinetic model of a trading market and its analytic solution.

PubMed

Chatterjee, Arnab; Chakrabarti, Bikas K; Stinchcombe, Robin B

2005-08-01

We analyze an ideal-gas-like model of a trading market with quenched random saving factors for its agents and show that the steady state income (m) distribution P(m) in the model has a power law tail with Pareto index nu exactly equal to unity, confirming the earlier numerical studies on this model. The analysis starts with the development of a master equation for the time development of P(m) . Precise solutions are then obtained in some special cases.

Towards a Realistic Pulsar Magnetosphere

NASA Technical Reports Server (NTRS)

Kalapotharakos, Constantinos; Kazanas, Demosthenes; Harding, Alice; Contopoulos, Ioannis

2012-01-01

We present the magnetic and electric field structures as well as the currents ami charge densities of pulsar magnetospberes which do not obey the ideal condition, E(raised dot) B = O. Since the acceleration of particles and the production of radiation requires the presence of an electric field component parallel to the magnetic field, E(sub ll) the structure of non-Ideal pulsar magnetospheres is intimately related to the production of pulsar radiation. Therefore, knowledge of the structure of non-Ideal pulsar maglletospheres is important because their comparison (including models for t he production of radiation) with observations will delineate the physics and the parameters underlying the pulsar radiation problem. We implement a variety of prescriptions that support nonzero values for E(sub ll) and explore their effects on the structure of the resulting magnetospheres. We produce families of solutions that span the entire range between the vacuum and the (ideal) Force-Free Electrodynamic solutions. We also compute the amount of dissipation as a fraction of the Poynting flux for pulsars of different angles between the rotation and magnetic axes and conclude that tltis is at most 20-40% (depending on t he non-ideal prescription) in the aligned rotator and 10% in the perpendicular one. We present also the limiting solutions with the property J = pc and discuss their possible implicatioll on the determination of the "on/ off" states of the intermittent pulsars. Finally, we find that solutions with values of J greater than those needed to null E(sub ll) locally produce oscillations, potentially observable in the data.

Description of Adsorption in Liquid Chromatography under Nonideal Conditions.

PubMed

Ortner, Franziska; Ruppli, Chantal; Mazzotti, Marco

2018-05-15

A thermodynamically consistent description of binary adsorption in reversed-phase chromatography is presented, accounting for thermodynamic nonidealities in the liquid and adsorbed phases. The investigated system involves the adsorbent Zorbax 300SB-C18, as well as phenetole and 4- tert-butylphenol as solutes and methanol and water as inert components forming the eluent. The description is based on adsorption isotherms, which are a function of the liquid-phase activities, to account for nonidealities in the liquid phase. Liquid-phase activities are calculated with a UNIQUAC model established in this work, based on experimental phase equilibrium data. The binary interaction in the adsorbed phase is described by the adsorbed solution theory, assuming an ideal (ideal adsorbed solution theory) or real (real adsorbed solution theory) adsorbed phase. Implementation of the established adsorption model in a chromatographic code achieves a quantitative description of experimental elution profiles, with feed compositions exploiting the entire miscible region, and involving a broad range of different eluent compositions (methanol/water). The quantitative agreement of the model and experimental data serves as a confirmation of the underlying physical (thermodynamic) concepts and of their applicability to a broad range of operating conditions.

Glass Transition Temperature of Saccharide Aqueous Solutions Estimated with the Free Volume/Percolation Model.

PubMed

Constantin, Julian Gelman; Schneider, Matthias; Corti, Horacio R

2016-06-09

The glass transition temperature of trehalose, sucrose, glucose, and fructose aqueous solutions has been predicted as a function of the water content by using the free volume/percolation model (FVPM). This model only requires the molar volume of water in the liquid and supercooled regimes, the molar volumes of the hypothetical pure liquid sugars at temperatures below their pure glass transition temperatures, and the molar volumes of the mixtures at the glass transition temperature. The model is simplified by assuming that the excess thermal expansion coefficient is negligible for saccharide-water mixtures, and this ideal FVPM becomes identical to the Gordon-Taylor model. It was found that the behavior of the water molar volume in trehalose-water mixtures at low temperatures can be obtained by assuming that the FVPM holds for this mixture. The temperature dependence of the water molar volume in the supercooled region of interest seems to be compatible with the recent hypothesis on the existence of two structure of liquid water, being the high density liquid water the state of water in the sugar solutions. The idealized FVPM describes the measured glass transition temperature of sucrose, glucose, and fructose aqueous solutions, with much better accuracy than both the Gordon-Taylor model based on an empirical kGT constant dependent on the saccharide glass transition temperature and the Couchman-Karasz model using experimental heat capacity changes of the components at the glass transition temperature. Thus, FVPM seems to be an excellent tool to predict the glass transition temperature of other aqueous saccharides and polyols solutions by resorting to volumetric information easily available.

An ideal clamping analysis for a cross-ply laminate

NASA Technical Reports Server (NTRS)

Valisetty, R. R.; Murthy, P. L. N.; Rehfield, L. W.

1988-01-01

Different elementary clamping models are discussed for a three layer crossply laminate to study the sensitivity of clamping to the definition of cross-sectional rotation. All of these models leave a considerable residual warping at the edges. Using a complimentary energy principle and principle of superposition, an analysis is conducted to reduce this residual warping. This led to the identification of exact interior solution corresponding to the ideal clamping. This study also suggests a presence of stress singularities at the corners and between different layers near the fixed edge.

Single-solute and bisolute sorption of phenol and trichloroethylene from aqueous solution onto modified montmorillonite and application of sorption models.

PubMed

Wu, C D; Wang, L; Hu, C X; He, M H

2013-01-01

The single-solute and bisolute sorption behaviour of phenol and trichloroethylene, two organic compounds with different structures, onto cetyltrimethylammonium bromide (CTAB)-montmorillonite was studied. The monolayer Langmuir model (MLM) and empirical Freundlich model (EFM) were applied to the single-solute sorption of phenol or trichloroethylene from water onto monolayer or multilayer CTAB-montmorillonite. The parameters contained in the MLM and EFM were determined for each solute by fitting to the single-solute isotherm data, and subsequently utilized in binary sorption. The extended Langmuir model (ELM) coupled with the single-solute MLM and the ideal adsorbed solution theory (IAST) coupled with the single-solute EFM were used to predict the binary sorption of phenol and trichloroethylene onto CTAB-montmorillonite. It was found that the EFM was better than the MLM at describing single-solute sorption from water onto CTAB-montmorillonite, and the IAST was better than the ELM at describing the binary sorption from water onto CTAB-montmorillonite.

Modeling of the Bosphorus exchange flow dynamics

NASA Astrophysics Data System (ADS)

Sözer, Adil; Özsoy, Emin

2017-04-01

The fundamental hydrodynamic behavior of the Bosphorus Strait is investigated through a numerical modeling study using alternative configurations of idealized or realistic geometry. Strait geometry and basin stratification conditions allow for hydraulic controls and are ideally suited to support the maximal-exchange regime, which determines the rate of exchange of waters originating from the adjacent Black and Mediterranean Seas for a given net transport. Steady-state hydraulic controls are demonstrated by densimetric Froude number calculations under layered flow approximations when corrections are applied to account for high velocity shears typically observed in the Bosphorus. Analyses of the model results reveal many observed features of the strait, including critical transitions at hydraulic controls and dissipation by turbulence and hydraulic jumps. It is found that the solution depends on initialization, especially with respect to the basin initial conditions. Significant differences between the controlled maximal-exchange and drowned solutions suggest that a detailed modeling implementation involving coupling with adjacent basins needs to take full account of the Bosphorus Strait in terms of the physical processes to be resolved.

Solution properties of almandine-pyrope garnet as determined by phase equilibrium experiments

USGS Publications Warehouse

Koziol, A.M.; Bohlen, S.R.

1992-01-01

The thermodynamic mixing properties of almandine-pyrope garnet were derived from phase equilibrium experiments at temperatures of 900 and 1000??C and pressures from 8 to 14 kbar. Almandine has essentially ideal behavior in almandine-pyrope garnet over the composition range Alm89-Alm61 at the above experimental conditions. In all experimental products a systematic partitioning of Fe and Mg between garnet and ilmenite was seen with ln Kd ??? 1.59 which was not temperature sensitive. The results support the use of garnet mixing models that incorporate ideal or nearly ideal Fe-Mg parameters. -from Authors

Exact solution for spin precession in the radiationless relativistic Kepler problem

NASA Astrophysics Data System (ADS)

Mane, S. R.

2014-11-01

There is interest in circulating beams of polarized particles in all-electric storage rings to search for nonzero permanent electric dipole moments of subatomic particles. To this end, it is helpful to derive exact analytical solutions of the spin precession in idealized models, both for pedagogical reasons and to serve as benchmark tests for analysis and design of experiments. This paper derives exact solutions for the spin precession in the relativistic Kepler problem. Some counterintuitive properties of the solutions are pointed out.

Experimental analysis of multi-attribute decision-making based on Atanassov intuitionistic fuzzy sets: a discussion of anchor dependency and accuracy functions

NASA Astrophysics Data System (ADS)

Chen, Ting-Yu

2012-06-01

This article presents a useful method for relating anchor dependency and accuracy functions to multiple attribute decision-making (MADM) problems in the context of Atanassov intuitionistic fuzzy sets (A-IFSs). Considering anchored judgement with displaced ideals and solution precision with minimal hesitation, several auxiliary optimisation models have proposed to obtain the optimal weights of the attributes and to acquire the corresponding TOPSIS (the technique for order preference by similarity to the ideal solution) index for alternative rankings. Aside from the TOPSIS index, as a decision-maker's personal characteristics and own perception of self may also influence the direction in the axiom of choice, the evaluation of alternatives is conducted based on distances of each alternative from the positive and negative ideal alternatives, respectively. This article originates from Li's [Li, D.-F. (2005), 'Multiattribute Decision Making Models and Methods Using Intuitionistic Fuzzy Sets', Journal of Computer and System Sciences, 70, 73-85] work, which is a seminal study of intuitionistic fuzzy decision analysis using deduced auxiliary programming models, and deems it a benchmark method for comparative studies on anchor dependency and accuracy functions. The feasibility and effectiveness of the proposed methods are illustrated by a numerical example. Finally, a comparative analysis is illustrated with computational experiments on averaging accuracy functions, TOPSIS indices, separation measures from positive and negative ideal alternatives, consistency rates of ranking orders, contradiction rates of the top alternative and average Spearman correlation coefficients.

Predicting membrane flux decline from complex mixtures using flow-field flow fractionation measurements and semi-empirical theory.

PubMed

Pellegrino, J; Wright, S; Ranvill, J; Amy, G

2005-01-01

Flow-Field Flow Fractionation (FI-FFF) is an idealization of the cross flow membrane filtration process in that, (1) the filtration flux and crossflow velocity are constant from beginning to end of the device, (2) the process is a relatively well-defined laminar-flow hydrodynamic condition, and (3) the solutes are introduced as a pulse-input that spreads due to interactions with each other and the membrane in the dilute-solution limit. We have investigated the potential for relating FI-FFF measurements to membrane fouling. An advection-dispersion transport model was used to provide 'ideal' (defined as spherical, non-interacting solutes) solute residence time distributions (RTDs) for comparison with 'real' RTDs obtained experimentally at different cross-field velocities and solution ionic strength. An RTD moment analysis based on a particle diameter probability density function was used to extract "effective" characteristic properties, rather than uniquely defined characteristics, of the standard solute mixture. A semi-empirical unsteady-state, flux decline model was developed that uses solute property parameters. Three modes of flux decline are included: (1) concentration polarization, (2) cake buildup, and (3) adsorption on/in pores, We have used this model to test the hypothesis-that an analysis of a residence time distribution using FI-FFF can describe 'effective' solute properties or indices that can be related to membrane flux decline in crossflow membrane filtration. Constant flux filtration studies included the changes of transport hydrodynamics (solvent flux to solute back diffusion (J/k) ratios), solution ionic strength, and feed water composition for filtration using a regenerated cellulose ultrafiltration membrane. Tests of the modeling hypothesis were compared with experimental results from the filtration measurements using several correction parameters based on the mean and variance of the solute RTDs. The corrections used to modify the boundary layer mass transfer coefficient and the specific resistance of cake or adsorption layers demonstrated that RTD analysis is potentially useful technique to describe colloid properties but requires improvements.

Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

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

Reimund, Kevin K.; McCutcheon, Jeffrey R.; Wilson, Aaron D.

A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy densitymore » of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π/(1+√w⁻¹), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at “maximum power density operating pressure” requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.« less

Improving anterior deltoid activity in a musculoskeletal shoulder model - an analysis of the torque-feasible space at the sternoclavicular joint.

PubMed

Ingram, David; Engelhardt, Christoph; Farron, Alain; Terrier, Alexandre; Müllhaupt, Philippe

2016-01-01

Modelling the shoulder's musculature is challenging given its mechanical and geometric complexity. The use of the ideal fibre model to represent a muscle's line of action cannot always faithfully represent the mechanical effect of each muscle, leading to considerable differences between model-estimated and in vivo measured muscle activity. While the musculo-tendon force coordination problem has been extensively analysed in terms of the cost function, only few works have investigated the existence and sensitivity of solutions to fibre topology. The goal of this paper is to present an analysis of the solution set using the concepts of torque-feasible space (TFS) and wrench-feasible space (WFS) from cable-driven robotics. A shoulder model is presented and a simple musculo-tendon force coordination problem is defined. The ideal fibre model for representing muscles is reviewed and the TFS and WFS are defined, leading to the necessary and sufficient conditions for the existence of a solution. The shoulder model's TFS is analysed to explain the lack of anterior deltoid (DLTa) activity. Based on the analysis, a modification of the model's muscle fibre geometry is proposed. The performance with and without the modification is assessed by solving the musculo-tendon force coordination problem for quasi-static abduction in the scapular plane. After the proposed modification, the DLTa reaches 20% of activation.

Leaf hydraulics II: vascularized tissues.

PubMed

Rockwell, Fulton E; Holbrook, N Michele; Stroock, Abraham D

2014-01-07

Current models of leaf hydration employ an Ohm's law analogy of the leaf as an ideal capacitor, neglecting the resistance to flow between cells, or treat the leaf as a plane sheet with a source of water at fixed potential filling the mid-plane, neglecting the discrete placement of veins as well as their resistance. We develop a model of leaf hydration that considers the average conductance of the vascular network to a representative areole (region bounded by the vascular network), and represent the volume of tissue within the areole as a poroelastic composite of cells and air spaces. Solutions to the 3D flow problem are found by numerical simulation, and these results are then compared to 1D models with exact solutions for a range of leaf geometries, based on a survey of temperate woody plants. We then show that the hydration times given by these solutions are well approximated by a sum of the ideal capacitor and plane sheet times, representing the time for transport through the vasculature and tissue respectively. We then develop scaling factors relating this approximate solution to the 3D model, and examine the dependence of these scaling factors on leaf geometry. Finally, we apply a similar strategy to reduce the dimensions of the steady state problem, in the context of peristomatal transpiration, and consider the relation of transpirational gradients to equilibrium leaf water potential measurements. © 2013 Published by Elsevier Ltd. All rights reserved.

A Note on Diffusive Mass Transport.

ERIC Educational Resources Information Center

Haynes, Henry W., Jr.

1986-01-01

Current chemical engineering textbooks teach that the driving force for diffusive mass transport in ideal solutions is the gradient in mole fraction. This is only true for ideal solution liquids. Therefore, it is shown that the appropriate driving force for use with ideal gases is the gradient in partial pressure. (JN)

The eclipsing binary CW Eridani. [three-color photoelectric observation

NASA Technical Reports Server (NTRS)

Chen, K.-Y.

1975-01-01

Results of three-color photoelectric observations of CW Eridani are presented which were made with a 30-inch telescope over the three-year period from 1970 to 1973. The times of minima are computed, solutions of the light curves are obtained, and theoretical light curves are computed from the solutions. The period is determined to be 2.72837 days, and the orbital and photoelectric elements are derived from solutions based on the idealized Russell model.

A Rotating Plug Model of Friction Stir Welding Heat Transfer

NASA Technical Reports Server (NTRS)

Raghulapadu J. K.; Peddieson, J.; Buchanan, G. R.; Nunes, A. C.

2006-01-01

A simplified rotating plug model is employed to study the heat transfer phenomena associated with the fiction stir welding process. An approximate analytical solution is obtained based on this idealized model and used both to demonstrate the qualitative influence of process parameters on predictions and to estimate temperatures produced in typical fiction stir welding situations.

A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

PubMed

Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

2009-12-16

Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

A Biomechanical Triphasic Approach to the Transport of Nondilute Solutions in Articular Cartilage

PubMed Central

Abazari, Alireza; Elliott, Janet A.W.; Law, Garson K.; McGann, Locksley E.; Jomha, Nadr M.

2009-01-01

Abstract Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach. PMID:20006942

Self-Similar Apical Sharpening of an Ideal Perfecting Conducting Fluid Subject to Maxwell Stresses

NASA Astrophysics Data System (ADS)

Zhou, Chengzhe; Troian, Sandra M.

2016-11-01

We examine the apical behavior of an ideal, perfectly conducting incompressible fluid surrounded by vacuum in circumstances where the capillary, Maxwell and inertial forces contribute to formation of a liquid cone. A previous model based on potential flow describes a family of self-similar solutions with conic cusps whose interior angles approach the Taylor cone angle. These solutions were obtained by matching powers of the leading order terms in the velocity and electric field potential to the asymptotic form dictated by a stationary cone shape. In re-examining this earlier work, we have found a more important, neglected leading order term in the velocity and field potentials, which satisfies the governing, interfacial and far-field conditions as well. This term allows for the development of additional self-similar, sharpening apical shapes, including time reversed solutions for conic tip recoil after fluid ejection. We outline the boundary-element technique for solving the exact similarity solutions, which have parametric dependence on the far-field conditions, and discuss consequences of our findings.

Quasi-neutral limit of Euler–Poisson system of compressible fluids coupled to a magnetic field

NASA Astrophysics Data System (ADS)

Yang, Jianwei

2018-06-01

In this paper, we consider the quasi-neutral limit of a three-dimensional Euler-Poisson system of compressible fluids coupled to a magnetic field. We prove that, as Debye length tends to zero, periodic initial-value problems of the model have unique smooth solutions existing in the time interval where the ideal incompressible magnetohydrodynamic equations has smooth solution. Meanwhile, it is proved that smooth solutions converge to solutions of incompressible magnetohydrodynamic equations with a sharp convergence rate in the process of quasi-neutral limit.

Planetary Moon Cycler Trajectories

NASA Technical Reports Server (NTRS)

Russell, Ryan P.; Strange, Nathan J.

2007-01-01

Free-return cycler trajectories repeatedly shuttle a spacecraft between two bodies using little or no fuel. Here, the cycler architecture is proposed as a complementary and alternative method for designing planetary moon tours. Previously applied enumerative cycler search and optimization techniques are generalized and specifically implemented in the Jovian and Saturnian moon systems. In addition, the algorithms are tested for general use to find non-Earth heliocentric cyclers. Overall, hundreds of ideal model ballistic cycler geometries are found and several representative cases are documented and discussed. Many of the ideal model solutions are found to remain ballistic in a zero radius sphere of influence patched conic ephemeris model, and preliminary work in a high-fidelity fully integrated model demonstrates near-ballistic cycles for several example cases.

Generic features of the wealth distribution in ideal-gas-like markets.

PubMed

Mohanty, P K

2006-07-01

We provide an exact solution to the ideal-gas-like models studied in econophysics to understand the microscopic origin of Pareto law. In these classes of models the key ingredient necessary for having a self-organized scale-free steady-state distribution is the trading or collision rule where agents or particles save a definite fraction of their wealth or energy and invest the rest for trading. Using a Gibbs ensemble approach we could obtain the exact distribution of wealth in this model. Moreover we show that in this model (a) good savers are always rich and (b) every agent poor or rich invests the same amount for trading. Nonlinear trading rules could alter the generic scenario observed here.

Magnetogasdynamics shock waves in a rotational axisymmetric non-ideal gas with increasing energy and conductive and radiative heat-fluxes

NASA Astrophysics Data System (ADS)

Nath, Gorakh

2016-07-01

Self-similar solutions are obtained for one-dimensional adiabatic flow behind a magnetogasdynamics cylindrical shock wave propagating in a rotational axisymmetric non ideal gas with increasing energy and conductive and radiative heat fluxes in presence of an azimuthal magnetic field. The fluid velocities and the azimuthal magnetic field in the ambient medium are assume to be varying and obeying power laws. In order to find the similarity solutions the angular velocity of the ambient medium is taken to be decreasing as the distance from the axis increases. The heat conduction is expressed in terms of Fourier's law and the radiation is considered to be the diffusion type for an optically thick grey gas model. The thermal conductivity and the absorption coefficient are assumed to vary with temperature and density. The effects of the presence of radiation and conduction, the non-idealness of the gas and the magnetic field on the shock propagation and the flow behind the shock are investigated.

Models for the dynamics of dust-like matter in the self-gravity field: The method of hydrodynamic substitutions

NASA Astrophysics Data System (ADS)

Zhuravlev, V. M.

2017-09-01

Models for the dynamics of a dust-like medium in the self-gravity field are investigated. Solutions of the corresponding problems are constructed by the method of hydrodynamic substitutions generalizing the Cole-Hopf substitutions. The method is extended to multidimensional ideal and viscous fluid flows with cylindrical and spherical symmetries for which exact solutions are constructed. Solutions for the dynamics of self-gravitating dust with arbitrary initial distributions of both fluid density and velocity are constructed using special coordinate transformations. In particular, the problem of cosmological expansion is considered in terms of Newton's gravity theory. Models of a one-dimensional viscous dust fluid flow and some problems of gas hydrodynamics are considered. Examples of exact solutions and their brief analysis are provided.

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.

A Riccati solution for the ideal MHD plasma response with applications to real-time stability control

NASA Astrophysics Data System (ADS)

Glasser, Alexander; Kolemen, Egemen; Glasser, A. H.

2018-03-01

Active feedback control of ideal MHD stability in a tokamak requires rapid plasma stability analysis. Toward this end, we reformulate the δW stability method with a Hamilton-Jacobi theory, elucidating analytical and numerical features of the generic tokamak ideal MHD stability problem. The plasma response matrix is demonstrated to be the solution of an ideal MHD matrix Riccati differential equation. Since Riccati equations are prevalent in the control theory literature, such a shift in perspective brings to bear a range of numerical methods that are well-suited to the robust, fast solution of control problems. We discuss the usefulness of Riccati techniques in solving the stiff ordinary differential equations often encountered in ideal MHD stability analyses—for example, in tokamak edge and stellarator physics. We demonstrate the applicability of such methods to an existing 2D ideal MHD stability code—DCON [A. H. Glasser, Phys. Plasmas 23, 072505 (2016)]—enabling its parallel operation in near real-time, with wall-clock time ≪1 s . Such speed may help enable active feedback ideal MHD stability control, especially in tokamak plasmas whose ideal MHD equilibria evolve with inductive timescale τ≳ 1s—as in ITER.

Hydration and conformational equilibria of simple hydrophobic and amphiphilic solutes.

PubMed Central

Ashbaugh, H S; Kaler, E W; Paulaitis, M E

1998-01-01

We consider whether the continuum model of hydration optimized to reproduce vacuum-to-water transfer free energies simultaneously describes the hydration free energy contributions to conformational equilibria of the same solutes in water. To this end, transfer and conformational free energies of idealized hydrophobic and amphiphilic solutes in water are calculated from explicit water simulations and compared to continuum model predictions. As benchmark hydrophobic solutes, we examine the hydration of linear alkanes from methane through hexane. Amphiphilic solutes were created by adding a charge of +/-1e to a terminal methyl group of butane. We find that phenomenological continuum parameters fit to transfer free energies are significantly different from those fit to conformational free energies of our model solutes. This difference is attributed to continuum model parameters that depend on solute conformation in water, and leads to effective values for the free energy/surface area coefficient and Born radii that best describe conformational equilibrium. In light of these results, we believe that continuum models of hydration optimized to fit transfer free energies do not accurately capture the balance between hydrophobic and electrostatic contributions that determines the solute conformational state in aqueous solution. PMID:9675177

Hydration of nonelectrolytes in binary aqueous solutions

NASA Astrophysics Data System (ADS)

Rudakov, A. M.; Sergievskii, V. V.

2010-10-01

Literature data on the thermodynamic properties of binary aqueous solutions of nonelectrolytes that show negative deviations from Raoult's law due largely to the contribution of the hydration of the solute are briefly surveyed. Attention is focused on simulating the thermodynamic properties of solutions using equations of the cluster model. It is shown that the model is based on the assumption that there exists a distribution of stoichiometric hydrates over hydration numbers. In terms of the theory of ideal associated solutions, the equations for activity coefficients, osmotic coefficients, vapor pressure, and excess thermodynamic functions (volume, Gibbs energy, enthalpy, entropy) are obtained in analytical form. Basic parameters in the equations are the hydration numbers of the nonelectrolyte (the mathematical expectation of the distribution of hydrates) and the dispersions of the distribution. It is concluded that the model equations adequately describe the thermodynamic properties of a wide range of nonelectrolytes partly or completely soluble in water.

High School Forum. The Solution: "Derivation of the Ideal Gas Law."

ERIC Educational Resources Information Center

Herron, J. Dudley, Ed.

1980-01-01

Presents responses to an earlier report concerning a procedure for the derivation of the Ideal Gas Law from Charles', Boyle's, and other gas laws. Logic errors and solutions that work are discussed. (CS)

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Quality Evaluation of Raw Moutan Cortex Using the AHP and Gray Correlation-TOPSIS Method

PubMed Central

Zhou, Sujuan; Liu, Bo; Meng, Jiang

2017-01-01

Background: Raw Moutan cortex (RMC) is an important Chinese herbal medicine. Comprehensive and objective quality evaluation of Chinese herbal medicine has been one of the most important issues in the modern herbs development. Objective: To evaluate and compare the quality of RMC using the weighted gray correlation- Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS) method. Materials and Methods: The percentage composition of gallic acid, catechin, oxypaeoniflorin, paeoniflorin, quercetin, benzoylpaeoniflorin, paeonol in different batches of RMC was determined, and then adopting MATLAB programming to construct the gray correlation-TOPSIS assessment model for quality evaluation of RMC. Results: The quality evaluation results of model evaluation and objective evaluation were consistent, reliable, and stable. Conclusion: The model of gray correlation-TOPSIS can be well applied to the quality evaluation of traditional Chinese medicine with multiple components and has broad prospect in application. SUMMARY The experiment tries to construct a model to evaluate the quality of RMC using the weighted gray correlation- Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS) method. Results show the model is reliable and provide a feasible way in evaluating quality of traditional Chinese medicine with multiple components. PMID:28839384

Using a tracer technique to identify the extent of non-ideal flows in the continuous mixing of non-Newtonian fluids

NASA Astrophysics Data System (ADS)

Patel, D.; Ein-Mozaffari, F.; Mehrvar, M.

2013-05-01

The identification of non-ideal flows in a continuous-flow mixing of non-Newtonian fluids is a challenging task for various chemical industries: plastic manufacturing, water and wastewater treatment, and pulp and paper manufacturing. Non-ideal flows such as channelling, recirculation, and dead zones significantly affect the performance of continuous-flow mixing systems. Therefore, the main objective of this paper was to develop an identification protocol to measure non-ideal flows in the continuous-flow mixing system. The extent of non-ideal flows was quantified using a dynamic model that incorporated channelling, recirculation, and dead volume in the mixing vessel. To estimate the dynamic model parameters, the system was excited using a frequency-modulated random binary input by injecting the saline solution (as a tracer) into the fresh feed stream prior to being pumped into the mixing vessel. The injection of the tracer was controlled by a computer-controlled on-off solenoid valve. Using the trace technique, the extent of channelling and the effective mixed volume were successfully determined and used as mixing quality criteria. Such identification procedures can be applied at various areas of chemical engineering in order to improve the mixing quality.

Existence of frozen-in coordinate systems

NASA Technical Reports Server (NTRS)

Chertkov, A. D.

1995-01-01

The 'frozen-in' coordinate systems were first introduced in the works on 'reconnection' and 'magnetic barrier' theories (see review by M.l.Pudovkin and V.S.Semenov, Space Sci. Rev. 41,1 1985). The idea was to utilize the mathematical apparatus developed for 'general relativity' theory to simplify obtaining solutions to the ideal MHD equations set. Magnetic field (B), plasma velocity (v), and their vector product were used as coordinate vectors. But there exist no stationary solutions of ideal MHD set that satisfies the required boundary conditions at infinity (A.D.Chertkov, Solar Wind Seven Conf.,Pergamon Press,1992,165) having non-zero vector product of v and B where v and B originate from the same sphere. The existence of a solution is the hidden mine of the mentioned theories. The solution is constructed in the coordinate system, which is unknown and indeterminate before obtaining this solution. A substitution of the final solution must be done directly into the initial MHD set in order to check the method. One can demonstrate that 'solutions' of Petschek's problem, obtained by 'frozen-in' coordinate systems, does not satisfy just the 'frozen-in' equation, i.e. induction equation. It stems from the fact that Petschek's 're-connection' model, treated as a boundary problem, is over determined. This problem was incorrectly formulated.

Assessment Engineering Task Model Maps, Task Models and Templates as a New Way to Develop and Implement Test Specifications

ERIC Educational Resources Information Center

Luecht, Richard M.

2013-01-01

Assessment engineering is a new way to design and implement scalable, sustainable and ideally lower-cost solutions to the complexities of designing and developing tests. It represents a merger of sorts between cognitive task modeling and engineering design principles--a merger that requires some new thinking about the nature of score scales, item…

Porosity development in coastal carbonate aquifers

USGS Publications Warehouse

Sanford, W.E.; Konikow, Leonard F.

1989-01-01

Combines geochemical mixing theory with the hydrodynamics of fresh-water-salt-water mixing zones in a coupled reaction-transport model. Results from the reaction-path model PHREEQE are used with a variable-density groundwater flow and solute-transport model to simulate an idealized cross section of a coastal carbonate aquifer. The dissolution process is sensitive to fresh-water chemistry, groundwater velocities, and sea-level movement. -from Authors

Study on Product Innovative Design Process Driven by Ideal Solution

NASA Astrophysics Data System (ADS)

Zhang, Fuying; Lu, Ximei; Wang, Ping; Liu, Hui

Product innovative design in companies today relies heavily on individual members’ experience and creative ideation as well as their skills of integrating creativity and innovation tools with design methods agilely. Creative ideation and inventive ideas generation are two crucial stages in product innovative design process. Ideal solution is the desire final ideas for given problem, and the striving reaching target for product design. In this paper, a product innovative design process driven by ideal solution is proposed. This design process encourages designers to overcome their psychological inertia, to foster creativity in a systematic way for acquiring breakthrough creative and innovative solutions in a reducing sphere of solution-seeking, and results in effective product innovative design rapidly. A case study example is also presented to illustrate the effectiveness of the proposed design process.

Improving Students' Understanding of the Connections between the Concepts of Real-Gas Mixtures, Gas Ideal-Solutions, and Perfect-Gas Mixtures

ERIC Educational Resources Information Center

Privat, Romain; Jaubert, Jean-Noël; Moine, Edouard

2016-01-01

In many textbooks of chemical-engineering thermodynamics, a gas mixture obeying the fundamental law pV[subscript m] = RT is most often called ideal-gas mixture (in some rare cases, the term perfect-gas mixture can be found). These textbooks also define the fundamental concept of ideal solution which in theory, can be applied indifferently to…

Development of a Three-Dimensional Spectral Element Model for NWP: Idealized Simulations on the Sphere

NASA Astrophysics Data System (ADS)

Viner, K.; Reinecke, P. A.; Gabersek, S.; Flagg, D. D.; Doyle, J. D.; Martini, M.; Ryglicki, D.; Michalakes, J.; Giraldo, F.

2016-12-01

NEPTUNE: the Navy Environmental Prediction sysTem Using the NUMA*corE, is a 3D spectral element atmospheric model composed of a full suite of physics parameterizations and pre- and post-processing infrastructure with plans for data assimilation and coupling components to a variety of Earth-system models. This talk will focus on the initial struggles and solutions in adapting NUMA for stable and accurate integration on the sphere using both the deep atmosphere equations and a newly developed shallow-atmosphere approximation, as demonstrated through idealized test cases. In addition, details of the physics-dynamics coupling methodology will be discussed. NEPTUNE results for test cases from the 2016 Dynamical Core Model Intercomparison Project (DCMIP-2016) will be shown and discussed. *NUMA: Nonhydrostatic Unified Model of the Atmosphere; Kelly and Giraldo 2012, JCP

A two-dimensional numerical study of the flow inside the combustion chambers of a motored rotary engine

NASA Technical Reports Server (NTRS)

Shih, T. I. P.; Yang, S. L.; Schock, H. J.

1986-01-01

A numerical study was performed to investigate the unsteady, multidimensional flow inside the combustion chambers of an idealized, two-dimensional, rotary engine under motored conditions. The numerical study was based on the time-dependent, two-dimensional, density-weighted, ensemble-averaged conservation equations of mass, species, momentum, and total energy valid for two-component ideal gas mixtures. The ensemble-averaged conservation equations were closed by a K-epsilon model of turbulence. This K-epsilon model of turbulence was modified to account for some of the effects of compressibility, streamline curvature, low-Reynolds number, and preferential stress dissipation. Numerical solutions to the conservation equations were obtained by the highly efficient implicit-factored method of Beam and Warming. The grid system needed to obtain solutions were generated by an algebraic grid generation technique based on transfinite interpolation. Results of the numerical study are presented in graphical form illustrating the flow patterns during intake, compression, gaseous fuel injection, expansion, and exhaust.

A two-dimensional numerical study of the flow inside the combustion chamber of a motored rotary engine

NASA Technical Reports Server (NTRS)

Shih, T. I-P.; Yang, S. L.; Schock, H. J.

1986-01-01

A numerical study was performed to investigate the unsteady, multidimensional flow inside the combustion chambers of an idealized, two-dimensional, rotary engine under motored conditions. The numerical study was based on the time-dependent, two-dimensional, density-weighted, ensemble-averaged conservation equations of mass, species, momentum, and total energy valid for two-component ideal gas mixtures. The ensemble-averaged conservation equations were closed by a K-epsilon model of turbulence. This K-epsilon model of turbulence was modified to account for some of the effects of compressibility, streamline curvature, low-Reynolds number, and preferential stress dissipation. Numerical solutions to the conservation equations were obtained by the highly efficient implicit-factored method of Beam and Warming. The grid system needed to obtain solutions were generated by an algebraic grid generation technique based on transfinite interpolation. Results of the numerical study are presented in graphical form illustrating the flow patterns during intake, compression, gaseous fuel injection, expansion, and exhaust.

Evolutionary algorithms for the optimization of advective control of contaminated aquifer zones

NASA Astrophysics Data System (ADS)

Bayer, Peter; Finkel, Michael

2004-06-01

Simple genetic algorithms (SGAs) and derandomized evolution strategies (DESs) are employed to adapt well capture zones for the hydraulic optimization of pump-and-treat systems. A hypothetical contaminant site in a heterogeneous aquifer serves as an application template. On the basis of the results from numerical flow modeling, particle tracking is applied to delineate the pathways of the contaminants. The objective is to find the minimum pumping rate of up to eight recharge wells within a downgradient well placement area. Both the well coordinates and the pumping rates are subject to optimization, leading to a mixed discrete-continuous problem. This article discusses the ideal formulation of the objective function for which the number of particles and the total pumping rate are used as decision criteria. Boundary updating is introduced, which enables the reorganization of the decision space limits by the incorporation of experience from previous optimization runs. Throughout the study the algorithms' capabilities are evaluated in terms of the number of model runs which are needed to identify optimal and suboptimal solutions. Despite the complexity of the problem both evolutionary algorithm variants prove to be suitable for finding suboptimal solutions. The DES with weighted recombination reveals to be the ideal algorithm to find optimal solutions. Though it works with real-coded decision parameters, it proves to be suitable for adjusting discrete well positions. Principally, the representation of well positions as binary strings in the SGA is ideal. However, even if the SGA takes advantage of bookkeeping, the vital high discretization of pumping rates results in long binary strings, which escalates the model runs that are needed to find an optimal solution. Since the SGA string lengths increase with the number of wells, the DES gains superiority, particularly for an increasing number of wells. As the DES is a self-adaptive algorithm, it proves to be the more robust optimization method for the selected advective control problem than the SGA variants of this study, exhibiting a less stochastic search which is reflected in the minor variability of the found solutions.

The extraction of N,N-dialkylamides III. A thermodynamical approach of the multicomponent extraction organic media by a statistical mechanic theory

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

Condamines, N.; Musikas, C.; Turq, P.

1993-04-01

The non-ideality of multicomponent media are difficult to describe, especially for situations as complex as the extraction of metals into organic media. We present a simplified model which takes into account hard-sphere' effects and physical interactions between some solutes of the studied media in the case of actinide ions liquid-liquid extraction. We focus our interest on N,N-dialkylamides extractants which have a strong non-ideal behaviour. 24 refs., 10 figs., 6 tabs.

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

Tao Zhu; Jack A. Walker; J. Liang

Due to increasing oil demand, oil companies are moving into arctic environments and deep-water areas for oil production. In these regions of lower temperatures, wax deposits begin to form when the temperature in the wellbore falls below wax appearance temperature (WAT). This condition leads to reduced production rates and larger pressure drops. Wax problems in production wells are very costly due to production down time for removal of wax. Therefore, it is necessary to develop a solution to wax deposition. In order to develop a solution to wax deposition, it is essential to characterize the crude oil and study phasemore » behavior properties. The main objective of this project was to characterize Alaskan North Slope crude oil and study the phase behavior, which was further used to develop a dynamic wax deposition model. This report summarizes the results of the various experimental studies. The subtasks completed during this study include measurement of density, molecular weight, viscosity, pour point, wax appearance temperature, wax content, rate of wax deposition using cold finger, compositional characterization of crude oil and wax obtained from wax content, gas-oil ratio, and phase behavior experiments including constant composition expansion and differential liberation. Also, included in this report is the development of a thermodynamic model to predict wax precipitation. From the experimental study of wax appearance temperature, it was found that wax can start to precipitate at temperatures as high as 40.6 C. The WAT obtained from cross-polar microscopy and viscometry was compared, and it was discovered that WAT from viscometry is overestimated. From the pour point experiment it was found that crude oil can cease to flow at a temperature of 12 C. From the experimental results of wax content, it is evident that the wax content in Alaskan North Slope crude oil can be as high as 28.57%. The highest gas-oil ratio for a live oil sample was observed to be 619.26 SCF/STB. The bubblepoint pressure for live oil samples varied between 1600 psi and 2100 psi. Wax precipitation is one of the most important phenomena in wax deposition and, hence, needs to be modeled. There are various models present in the literature. Won's model, which considers the wax phase as a non-ideal solution, and Pedersen's model, which considers the wax phase as an ideal solution, were compared. Comparison indicated that Pedersen's model gives better results, but the assumption of wax phase as an ideal solution is not realistic. Hence, Won's model was modified to consider different precipitation characteristics of the various constituents in the hydrocarbon fraction. The results obtained from the modified Won's model were compared with existing models, and it was found that predictions from the modified model are encouraging.« less

Transient analysis using conical shell elements

NASA Technical Reports Server (NTRS)

Yang, J. C. S.; Goeller, J. E.; Messick, W. T.

1973-01-01

The use of the NASTRAN conical shell element in static, eigenvalue, and direct transient analyses is demonstrated. The results of a NASTRAN static solution of an externally pressurized ring-stiffened cylinder agree well with a theoretical discontinuity analysis. Good agreement is also obtained between the NASTRAN direct transient response of a uniform cylinder to a dynamic end load and one-dimensional solutions obtained using a method of characteristics stress wave code and a standing wave solution. Finally, a NASTRAN eigenvalue analysis is performed on a hydroballistic model idealized with conical shell elements.

A three-dimensional parabolic equation model of sound propagation using higher-order operator splitting and Padé approximants.

PubMed

Lin, Ying-Tsong; Collis, Jon M; Duda, Timothy F

2012-11-01

An alternating direction implicit (ADI) three-dimensional fluid parabolic equation solution method with enhanced accuracy is presented. The method uses a square-root Helmholtz operator splitting algorithm that retains cross-multiplied operator terms that have been previously neglected. With these higher-order cross terms, the valid angular range of the parabolic equation solution is improved. The method is tested for accuracy against an image solution in an idealized wedge problem. Computational efficiency improvements resulting from the ADI discretization are also discussed.

Fast Estimation of Strains for Cross-Beams Six-Axis Force/Torque Sensors by Mechanical Modeling

PubMed Central

Ma, Junqing; Song, Aiguo

2013-01-01

Strain distributions are crucial criteria of cross-beams six-axis force/torque sensors. The conventional method for calculating the criteria is to utilize Finite Element Analysis (FEA) to get numerical solutions. This paper aims to obtain analytical solutions of strains under the effect of external force/torque in each dimension. Genetic mechanical models for cross-beams six-axis force/torque sensors are proposed, in which deformable cross elastic beams and compliant beams are modeled as quasi-static Timoshenko beam. A detailed description of model assumptions, model idealizations, application scope and model establishment is presented. The results are validated by both numerical FEA simulations and calibration experiments, and test results are found to be compatible with each other for a wide range of geometric properties. The proposed analytical solutions are demonstrated to be an accurate estimation algorithm with higher efficiency. PMID:23686144

Toroidal modelling of resistive internal kink and fishbone instabilities

NASA Astrophysics Data System (ADS)

Wu, Tingting; He, Hongda; Liu, Yueqiang; Liu, Yue; Hao, G. Z.; Zhu, Jinxia

2018-05-01

The influence of energetic particles and plasma resistivity on the n =1 ( n is the toroidal mode number) internal kink and fishbone modes in tokamak plasmas is numerically investigated, using the full toroidal, resistive magnetohydrodynamic-kinetic hybrid stability code MARS-K [Liu et al., Phys. Plasmas 15 112503 (2008)]. The results show that energetic particles can either stabilize or destabilize the ideal internal kink mode, depending on the radial profiles of the particles' density and pressure. Resistive fishbones with and without an ideal wall are investigated. It is found that, in the presence of energetic particles as well as plasma resistivity, two branches of unstable roots exist, for a plasma which is ideally stable to the internal kink instability. One is the resistive internal kink mode. The other is the resistive fishbone mode. These two-branch solutions show similar behaviors, independent of whether the initial ideal kink stability is due to an ideal wall stabilization for high-beta plasmas, or due to a stable equilibrium below the Bussac pressure limit. For a realistic toroidal plasma, the resistive internal kink is the dominant instability, which grows much faster than the resistive fishbone. The plasma resistivity destabilizes the resistive internal kink while stabilizes the resistive fishbone. Systematic comparison with an analytic model qualitatively confirms the MARS-K results. Compared to analytic models based on the perturbative approach, MARS-K offers an improved physics model via self-consistent treatment of coupling between the fluid and kinetic effects due to energetic particles.

Variational Integration for Ideal Magnetohydrodynamics and Formation of Current Singularities

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

Zhou, Yao

Coronal heating has been a long-standing conundrum in solar physics. Parker's conjecture that spontaneous current singularities lead to nanoflares that heat the corona has been controversial. In ideal magnetohydrodynamics (MHD), can genuine current singularities emerge from a smooth 3D line-tied magnetic field? To numerically resolve this issue, the schemes employed must preserve magnetic topology exactly to avoid artificial reconnection in the presence of (nearly) singular current densities. Structure-preserving numerical methods are favorable for mitigating numerical dissipation, and variational integration is a powerful machinery for deriving them. However, successful applications of variational integration to ideal MHD have been scarce. In thismore » thesis, we develop variational integrators for ideal MHD in Lagrangian labeling by discretizing Newcomb's Lagrangian on a moving mesh using discretized exterior calculus. With the built-in frozen-in equation, the schemes are free of artificial reconnection, hence optimal for studying current singularity formation. Using this method, we first study a fundamental prototype problem in 2D, the Hahm-Kulsrud-Taylor (HKT) problem. It considers the effect of boundary perturbations on a 2D plasma magnetized by a sheared field, and its linear solution is singular. We find that with increasing resolution, the nonlinear solution converges to one with a current singularity. The same signature of current singularity is also identified in other 2D cases with more complex magnetic topologies, such as the coalescence instability of magnetic islands. We then extend the HKT problem to 3D line-tied geometry, which models the solar corona by anchoring the field lines in the boundaries. The effect of such geometry is crucial in the controversy over Parker's conjecture. The linear solution, which is singular in 2D, is found to be smooth. However, with finite amplitude, it can become pathological above a critical system length. The nonlinear solution turns out smooth for short systems. Nonetheless, the scaling of peak current density vs. system length suggests that the nonlinear solution may become singular at a finite length. With the results in hand, we cannot confirm or rule out this possibility conclusively, since we cannot obtain solutions with system lengths near the extrapolated critical value.« less

Magnetogasdynamic spherical shock wave in a non-ideal gas under gravitational field with conductive and radiative heat fluxes

NASA Astrophysics Data System (ADS)

Nath, G.; Vishwakarma, J. P.

2016-11-01

Similarity solutions are obtained for the flow behind a spherical shock wave in a non-ideal gas under gravitational field with conductive and radiative heat fluxes, in the presence of a spatially decreasing azimuthal magnetic field. The shock wave is driven by a piston moving with time according to power law. The radiation is considered to be of the diffusion type for an optically thick grey gas model and the heat conduction is expressed in terms of Fourier's law for heat conduction. Similarity solutions exist only when the surrounding medium is of constant density. The gas is assumed to have infinite electrical conductivity and to obey a simplified van der Waals equation of state. It is shown that an increase of the gravitational parameter or the Alfven-Mach number or the parameter of the non-idealness of the gas decreases the compressibility of the gas in the flow-field behind the shock, and hence there is a decrease in the shock strength. The pressure and density vanish at the inner surface (piston) and hence a vacuum is formed at the center of symmetry. The shock waves in conducting non-ideal gas under gravitational field with conductive and radiative heat fluxes can be important for description of shocks in supernova explosions, in the study of a flare produced shock in the solar wind, central part of star burst galaxies, nuclear explosion etc. The solutions obtained can be used to interpret measurements carried out by space craft in the solar wind and in neighborhood of the Earth's magnetosphere.

Extended possibilities of pharmaceuticals delivery to patients using dematerialized prescriptions.

PubMed

Urbański, Andrzej P

2004-01-01

This paper considers the requirement for e-commerce enabled delivery of pharmaceutical prescriptions. First, currently available solutions are critically reviewed and an ideal solution is specified and then the concept of the proposed solution--Dematerialized Prescription (DP), is outlined. Next, the information flows required to enable such a service are considered. The paper then considers a number of possible services which could be made available with DP to deliver medicals to patients. Finally, a proposed solution, which enables physician to fill dematerialized prescriptions online using inexpensive mobile Internet devices is presented in detail, the advantages of such a model are summarized and future research directions are suggested.

Multilingual Thesauri for the Modern World - No Ideal Solution?

ERIC Educational Resources Information Center

Jorna, Kerstin; Davies, Sylvie

2001-01-01

Discusses thesauri as tools for multilingual information retrieval and cross-cultural communication. Considers the need for multilingual thesauri and the importance of explicit conceptual structures, and introduces a pilot thesaurus, InfoDEFT (Information Deutsch-English-Francais Thesaurus), as a possible model for new online thesauri which are…

Numerical Modeling of Sub-Wavelength Anti-Reflective Structures for Solar Module Applications

PubMed Central

Han, Katherine; Chang, Chih-Hung

2014-01-01

This paper reviews the current progress in mathematical modeling of anti-reflective subwavelength structures. Methods covered include effective medium theory (EMT), finite-difference time-domain (FDTD), transfer matrix method (TMM), the Fourier modal method (FMM)/rigorous coupled-wave analysis (RCWA) and the finite element method (FEM). Time-based solutions to Maxwell’s equations, such as FDTD, have the benefits of calculating reflectance for multiple wavelengths of light per simulation, but are computationally intensive. Space-discretized methods such as FDTD and FEM output field strength results over the whole geometry and are capable of modeling arbitrary shapes. Frequency-based solutions such as RCWA/FMM and FEM model one wavelength per simulation and are thus able to handle dispersion for regular geometries. Analytical approaches such as TMM are appropriate for very simple thin films. Initial disadvantages such as neglect of dispersion (FDTD), inaccuracy in TM polarization (RCWA), inability to model aperiodic gratings (RCWA), and inaccuracy with metallic materials (FDTD) have been overcome by most modern software. All rigorous numerical methods have accurately predicted the broadband reflection of ideal, graded-index anti-reflective subwavelength structures; ideal structures are tapered nanostructures with periods smaller than the wavelengths of light of interest and lengths that are at least a large portion of the wavelengths considered. PMID:28348287

Generalization of the binary structural phase field crystal model

NASA Astrophysics Data System (ADS)

Smith, Nathan; Provatas, Nikolas

2017-10-01

Two improvements to the binary structural phase field crystal (XPFC) theory are presented. The first is an improvement to the phenomenology for modelling density-density correlation functions and the second extends the free energy of the mixing term in the binary XPFC model beyond ideal mixing to a regular solution model. These improvements are applied to study kinetics of precipitation from solution. We observe a two-step nucleation pathway similar to recent experimental work [N. D. Loh, S. Sen, M. Bosman, S. F. Tan, J. Zhong, C. A. Nijhuis, P. Král, P. Matsudaira, and U. Mirsaidov, Nat. Chem. 9, 77 (2017), 10.1038/nchem.2618; A. F. Wallace, L. O. Hedges, A. Fernandez-Martinez, P. Raiteri, J. D. Gale, G. A. Waychunas, S. Whitelam, J. F. Banfield, and J. J. De Yoreo, Science 341, 885 (2013), 10.1126/science.1230915] in which the liquid solution first decomposes into solute-poor and solute-rich regions, followed by precipitate nucleation of the solute-rich regions. Additionally, we find a phenomenon not previously described in the literature in which the growth of precipitates is accelerated in the presence of uncrystallized solute-rich liquid regions.

Fast Numerical Solution of the Plasma Response Matrix for Real-time Ideal MHD Control

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

Glasser, Alexander; Kolemen, Egemen; Glasser, Alan H.

To help effectuate near real-time feedback control of ideal MHD instabilities in tokamak geometries, a parallelized version of A.H. Glasser’s DCON (Direct Criterion of Newcomb) code is developed. To motivate the numerical implementation, we first solve DCON’s δW formulation with a Hamilton-Jacobi theory, elucidating analytical and numerical features of the ideal MHD stability problem. The plasma response matrix is demonstrated to be the solution of an ideal MHD Riccati equation. We then describe our adaptation of DCON with numerical methods natural to solutions of the Riccati equation, parallelizing it to enable its operation in near real-time. We replace DCON’s serial integration of perturbed modes—which satisfy a singular Euler- Lagrange equation—with a domain-decomposed integration of state transition matrices. Output is shown to match results from DCON with high accuracy, and with computation time < 1s. Such computational speed may enable active feedback ideal MHD stability control, especially in plasmas whose ideal MHD equilibria evolve with inductive timescalemore » $$\\tau$$ ≳ 1s—as in ITER. Further potential applications of this theory are discussed.« less

Fast Numerical Solution of the Plasma Response Matrix for Real-time Ideal MHD Control

DOE PAGES

Glasser, Alexander; Kolemen, Egemen; Glasser, Alan H.

2018-03-26

To help effectuate near real-time feedback control of ideal MHD instabilities in tokamak geometries, a parallelized version of A.H. Glasser’s DCON (Direct Criterion of Newcomb) code is developed. To motivate the numerical implementation, we first solve DCON’s δW formulation with a Hamilton-Jacobi theory, elucidating analytical and numerical features of the ideal MHD stability problem. The plasma response matrix is demonstrated to be the solution of an ideal MHD Riccati equation. We then describe our adaptation of DCON with numerical methods natural to solutions of the Riccati equation, parallelizing it to enable its operation in near real-time. We replace DCON’s serial integration of perturbed modes—which satisfy a singular Euler- Lagrange equation—with a domain-decomposed integration of state transition matrices. Output is shown to match results from DCON with high accuracy, and with computation time < 1s. Such computational speed may enable active feedback ideal MHD stability control, especially in plasmas whose ideal MHD equilibria evolve with inductive timescalemore » $$\\tau$$ ≳ 1s—as in ITER. Further potential applications of this theory are discussed.« less

How to model supernovae in simulations of star and galaxy formation

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.; Wetzel, Andrew; Kereš, Dušan; Faucher-Giguère, Claude-André; Quataert, Eliot; Boylan-Kolchin, Michael; Murray, Norman; Hayward, Christopher C.; El-Badry, Kareem

2018-06-01

We study the implementation of mechanical feedback from supernovae (SNe) and stellar mass loss in galaxy simulations, within the Feedback In Realistic Environments (FIRE) project. We present the FIRE-2 algorithm for coupling mechanical feedback, which can be applied to any hydrodynamics method (e.g. fixed-grid, moving-mesh, and mesh-less methods), and black hole as well as stellar feedback. This algorithm ensures manifest conservation of mass, energy, and momentum, and avoids imprinting `preferred directions' on the ejecta. We show that it is critical to incorporate both momentum and thermal energy of mechanical ejecta in a self-consistent manner, accounting for SNe cooling radii when they are not resolved. Using idealized simulations of single SN explosions, we show that the FIRE-2 algorithm, independent of resolution, reproduces converged solutions in both energy and momentum. In contrast, common `fully thermal' (energy-dump) or `fully kinetic' (particle-kicking) schemes in the literature depend strongly on resolution: when applied at mass resolution ≳100 M⊙, they diverge by orders of magnitude from the converged solution. In galaxy-formation simulations, this divergence leads to orders-of-magnitude differences in galaxy properties, unless those models are adjusted in a resolution-dependent way. We show that all models that individually time-resolve SNe converge to the FIRE-2 solution at sufficiently high resolution (<100 M⊙). However, in both idealized single-SN simulations and cosmological galaxy-formation simulations, the FIRE-2 algorithm converges much faster than other sub-grid models without re-tuning parameters.

Freezing point depression in model Lennard-Jones solutions

NASA Astrophysics Data System (ADS)

Koschke, Konstantin; Jörg Limbach, Hans; Kremer, Kurt; Donadio, Davide

2015-09-01

Crystallisation of liquid solutions is of uttermost importance in a wide variety of processes in materials, atmospheric and food science. Depending on the type and concentration of solutes the freezing point shifts, thus allowing control on the thermodynamics of complex fluids. Here we investigate the basic principles of solute-induced freezing point depression by computing the melting temperature of a Lennard-Jones fluid with low concentrations of solutes, by means of equilibrium molecular dynamics simulations. The effect of solvophilic and weakly solvophobic solutes at low concentrations is analysed, scanning systematically the size and the concentration. We identify the range of parameters that produce deviations from the linear dependence of the freezing point on the molal concentration of solutes, expected for ideal solutions. Our simulations allow us also to link the shifts in coexistence temperature to the microscopic structure of the solutions.

SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics

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

Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

1998-09-01

This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.

Axially grooved heat pipe study

NASA Technical Reports Server (NTRS)

1977-01-01

A technology evaluation study on axially grooved heat pipes is presented. The state-of-the-art is reviewed and present and future requirements are identified. Analytical models, the Groove Analysis Program (GAP) and a closed form solution, were developed to facilitate parametric performance evaluations. GAP provides a numerical solution of the differential equations which govern the hydrodynamic flow. The model accounts for liquid recession, liquid/vapor shear interaction, puddle flow as well as laminar and turbulent vapor flow conditions. The closed form solution was developed to reduce computation time and complexity in parametric evaluations. It is applicable to laminar and ideal charge conditions, liquid/vapor shear interaction, and an empirical liquid flow factor which accounts for groove geometry and liquid recession effects. The validity of the closed form solution is verified by comparison with GAP predictions and measured data.

A generalized procedure for the prediction of multicomponent adsorption equilibria

DOE PAGES

Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas

2015-04-07

Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary-mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model,more » for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory.« less

Hydrodynamics with strength: scaling-invariant solutions for elastic-plastic cavity expansion models

NASA Astrophysics Data System (ADS)

Albright, Jason; Ramsey, Scott; Baty, Roy

2017-11-01

Spherical cavity expansion (SCE) models are used to describe idealized detonation and high-velocity impact in a variety of materials. The common theme in SCE models is the presence of a pressure-driven cavity or void within a domain comprised of plastic and elastic response sub-regions. In past work, the yield criterion characterizing material strength in the plastic sub-region is usually taken for granted and assumed to take a known functional form restrictive to certain classes of materials, e.g. ductile metals or brittle geologic materials. Our objective is to systematically determine a general functional form for the yield criterion under the additional requirement that the SCE admits a similarity solution. Solutions determined under this additional requirement have immediate implications toward development of new compressible flow algorithm verification test problems. However, more importantly, these results also provide novel insight into modeling the yield criteria from the perspective of hydrodynamic scaling.

Noether symmetries and stability of ideal gas solutions in Galileon cosmology

NASA Astrophysics Data System (ADS)

Dimakis, N.; Giacomini, Alex; Jamal, Sameerah; Leon, Genly; Paliathanasis, Andronikos

2017-03-01

A class of generalized Galileon cosmological models, which can be described by a pointlike Lagrangian, is considered in order to utilize Noether's theorem to determine conservation laws for the field equations. In the Friedmann-Lemaître-Robertson-Walker universe, the existence of a nontrivial conservation law indicates the integrability of the field equations. Because of the complexity of the latter, we apply the differential invariants approach in order to construct special power-law solutions and study their stability.

Protein solubility modeling

NASA Technical Reports Server (NTRS)

Agena, S. M.; Pusey, M. L.; Bogle, I. D.

1999-01-01

A thermodynamic framework (UNIQUAC model with temperature dependent parameters) is applied to model the salt-induced protein crystallization equilibrium, i.e., protein solubility. The framework introduces a term for the solubility product describing protein transfer between the liquid and solid phase and a term for the solution behavior describing deviation from ideal solution. Protein solubility is modeled as a function of salt concentration and temperature for a four-component system consisting of a protein, pseudo solvent (water and buffer), cation, and anion (salt). Two different systems, lysozyme with sodium chloride and concanavalin A with ammonium sulfate, are investigated. Comparison of the modeled and experimental protein solubility data results in an average root mean square deviation of 5.8%, demonstrating that the model closely follows the experimental behavior. Model calculations and model parameters are reviewed to examine the model and protein crystallization process. Copyright 1999 John Wiley & Sons, Inc.

Dissipative dark matter halos: The steady state solution. II.

NASA Astrophysics Data System (ADS)

Foot, R.

2018-05-01

Within the mirror dark matter model and dissipative dark matter models in general, halos around galaxies with active star formation (including spirals and gas-rich dwarfs) are dynamical: they expand and contract in response to heating and cooling processes. Ordinary type II supernovae (SNe) can provide the dominant heat source, which is possible if kinetic mixing interaction exists with strength ɛ ˜10-9- 10-10 . Dissipative dark matter halos can be modeled as a fluid governed by Euler's equations. Around sufficiently isolated and unperturbed galaxies the halo can relax to a steady state configuration, where heating and cooling rates locally balance and hydrostatic equilibrium prevails. These steady state conditions can be solved to derive the physical properties, including the halo density and temperature profiles, for model galaxies. Here, we consider idealized spherically symmetric galaxies within the mirror dark particle model, as in our earlier paper [Phys. Rev. D 97, 043012 (2018), 10.1103/PhysRevD.97.043012], but we assume that the local halo heating in the SN vicinity dominates over radiative sources. With this assumption, physically interesting steady state solutions arise which we compute for a representative range of model galaxies. The end result is a rather simple description of the dark matter halo around idealized spherically symmetric systems, characterized in principle by only one parameter, with physical properties that closely resemble the empirical properties of disk galaxies.

Model simulations of a field experiment on cation exchange-affected multicomponent solute transport in a sandy aquifer

NASA Astrophysics Data System (ADS)

Bjerg, Poul L.; Ammentorp, Hans C.; Christensen, Thomas H.

1993-04-01

A large-scale and long-term field experiment on cation exchange in a sandy aquifer has been modelled by a three-dimensional geochemical transport model. The geochemical model includes cation-exchange processes using a Gaines-Thomas expression, the closed carbonate system and the effects of ionic strength. Information on geology, hydrogeology and the transient conservative solute transport behaviour was obtained from a dispersion study in the same aquifer. The geochemical input parameters were carefully examined. CEC and selectivity coefficients were determined on the actual aquifer material by batch experiments and by the composition of the cations on the exchange complex. Potassium showed a non-ideal exchange behaviour with KCa selectivity coefficients indicating dependency on equivalent fraction and K + concentration in the aqueous phase. The model simulations over a distance of 35 m and a period of 250 days described accurately the observed attenuation of Na and the expelled amounts of Ca and Mg. Also, model predictions of plateau zones, formed by interaction with the background groundwater, in general agreed satisfactorily with the observations. Transport of K was simulated over a period of 800 days due to a substantially attenuation in the aquifer. The observed and the predicted breakthrough curves showed a reasonable accordance taking the duration of the experiment into account. However, some discrepancies were observed probably caused by the revealed non-ideal exchange behaviour of K +.

Experimental tests of linear and nonlinear three-dimensional equilibrium models in DIII-D

DOE PAGES

King, Josh D.; Strait, Edward J.; Lazerson, Samuel A.; ...

2015-07-01

DIII-D experiments using new detailed magnetic diagnostics show that linear, ideal magnetohydrodynamics (MHD) theory quantitatively describes the magnetic structure (as measured externally) of three-dimensional (3D) equilibria resulting from applied fields with toroidal mode number n = 1, while a nonlinear solution to ideal MHD force balance, using the VMEC code, requires the inclusion of n ≥ 1 to achieve similar agreement. Moreover, these tests are carried out near ITER baseline parameters, providing a validated basis on which to exploit 3D fields for plasma control development. We determine scans of the applied poloidal spectrum and edge safety factors which confirm thatmore » low-pressure, n = 1 non-axisymmetric tokamak equilibria are a single, dominant, stable eigenmode. But, at higher beta, near the ideal kink mode stability limit in the absence of a conducting wall, the qualitative features of the 3D structure are observed to vary in a way that is not captured by ideal MHD.« less

Bin packing problem solution through a deterministic weighted finite automaton

NASA Astrophysics Data System (ADS)

Zavala-Díaz, J. C.; Pérez-Ortega, J.; Martínez-Rebollar, A.; Almanza-Ortega, N. N.; Hidalgo-Reyes, M.

2016-06-01

In this article the solution of Bin Packing problem of one dimension through a weighted finite automaton is presented. Construction of the automaton and its application to solve three different instances, one synthetic data and two benchmarks are presented: N1C1W1_A.BPP belonging to data set Set_1; and BPP13.BPP belonging to hard28. The optimal solution of synthetic data is obtained. In the first benchmark the solution obtained is one more container than the ideal number of containers and in the second benchmark the solution is two more containers than the ideal solution (approximately 2.5%). The runtime in all three cases was less than one second.

Chemical thermodynamics of ultrasound speed in solutions and liquid mixtures.

PubMed

Reis, João Carlos R; Santos, Angela F S; Lampreia, Isabel M S

2010-02-01

A comprehensive formalism is developed to treat thermodynamically speed of ultrasound data for solutions and liquid mixtures. For solutions, the apparent speed of ultrasound of a solute is introduced and proposed to take the place of empirically defined quantities. The partial speed of ultrasound of a solute is defined and related to the partial molar volume and partial molar isentropic compression. For liquid mixtures, the concept of speed of sound before mixing pure liquids is presented and used to define the change in speed of ultrasound upon ideal mixing, which is predicted to be generally a negative quantity. A new thermodynamic equation is derived linking the values for excess speed of ultrasound, excess molar volume and excess molar isentropic compression of a mixture, and its applications are discussed. Ideal and excess apparent speeds of ultrasound, as well as ideal and excess partial speeds of ultrasound, are defined for substances making up a liquid mixture. Accurate speeds of ultrasound in 31 mixtures of water with the amphiphile 2-(ethylamino)ethanol at 293.15 K are reported. These data are used to demonstrate the ability of the apparent speed of ultrasound to describe the impact of solutes on sonic properties of solutions and the advantages of analysing thermodynamic properties of binary liquid mixtures in terms of the dependence on composition of Balankina's ratios between excess and ideal values. It is concluded that the new thermodynamic functions defined for speeds of ultrasound in solutions and liquid mixtures give, at the least, equivalent information on molecular aspects to the usual functions related to the isentropic compressibility, without needing density data for this purpose.

Establishing Approaches to Modeling the Ares I-X and Ares I Roll Control System with Free-stream Interaction

NASA Technical Reports Server (NTRS)

Pao, S. Paul; Deere, Karen A.; Abdol-Hamid, Khales S.

2011-01-01

Approaches were established for modeling the roll control system and analyzing the jet interactions of the activated roll control system on Ares-type configurations using the USM3D Navier-Stokes solver. Components of the modeling approach for the roll control system include a choice of turbulence models, basis for computing a dynamic equivalence of the real gas rocket exhaust flow in terms of an ideal gas, and techniques to evaluate roll control system performance for wind tunnel and flight conditions. A simplified Ares I-X configuration was used during the development phase of the roll control system modeling approach. A limited set of Navier-Stokes solutions was obtained for the purposes of this investigation and highlights of the results are included in this paper. The USM3D solutions were compared to equivalent solutions at select flow conditions from a real gas Navier- Stokes solver (Loci-CHEM) and a structured overset grid Navier-Stokes solver (OVERFLOW).

Knop's Solution Is Not What It Seems.

ERIC Educational Resources Information Center

Hershey, David R.

2001-01-01

Discusses Knob's solution, which was considered the ideal plant growth solution in 1865, and recommends eliminating Knob's solution from active teaching. Describes solution culture basics including nutrient solutions, containers and aeration, and plants and light. (Contains 12 references.) (YDS)

Back to the Agora: Workable Solutions for Small Urban School Facilities. ERIC Digest.

ERIC Educational Resources Information Center

Lawrence, Barbara Kent

The ancient Athenian "agora" functioned as a marketplace for ideas and commerce and offered an ideal place for teaching and learning. This digest suggests adapting such a model to modern needs and describes successful small schools that have done so while reducing costs. Research shows that small schools offer many advantages for…

A hybrid solution approach for a multi-objective closed-loop logistics network under uncertainty

NASA Astrophysics Data System (ADS)

Mehrbod, Mehrdad; Tu, Nan; Miao, Lixin

2015-06-01

The design of closed-loop logistics (forward and reverse logistics) has attracted growing attention with the stringent pressures of customer expectations, environmental concerns and economic factors. This paper considers a multi-product, multi-period and multi-objective closed-loop logistics network model with regard to facility expansion as a facility location-allocation problem, which more closely approximates real-world conditions. A multi-objective mixed integer nonlinear programming formulation is linearized by defining new variables and adding new constraints to the model. By considering the aforementioned model under uncertainty, this paper develops a hybrid solution approach by combining an interactive fuzzy goal programming approach and robust counterpart optimization based on three well-known robust counterpart optimization formulations. Finally, this paper compares the results of the three formulations using different test scenarios and parameter-sensitive analysis in terms of the quality of the final solution, CPU time, the level of conservatism, the degree of closeness to the ideal solution, the degree of balance involved in developing a compromise solution, and satisfaction degree.

One-dimensional model and solutions for creeping gas flows in the approximation of uniform pressure

NASA Astrophysics Data System (ADS)

Vedernikov, A.; Balapanov, D.

2016-11-01

A model, along with analytical and numerical solutions, is presented to describe a wide variety of one-dimensional slow flows of compressible heat-conductive fluids. The model is based on the approximation of uniform pressure valid for the flows, in which the sound propagation time is much shorter than the duration of any meaningful density variation in the system. The energy balance is described by the heat equation that is solved independently. This approach enables the explicit solution for the fluid velocity to be obtained. Interfacial and volumetric heat and mass sources as well as boundary motion are considered as possible sources of density variation in the fluid. A set of particular tasks is analyzed for different motion sources in planar, axial, and central symmetries in the quasistationary limit of heat conduction (i.e., for large Fourier number). The analytical solutions are in excellent agreement with corresponding numerical solutions of the whole system of the Navier-Stokes equations. This work deals with the ideal gas. The approach is also valid for other equations of state.

Too hot to handle? Analytic solutions for massive neutrino or warm dark matter cosmologies

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Portillo, Stephen K. N.

2018-05-01

We obtain novel closed-form solutions to the Friedmann equation for cosmological models containing a component whose equation of state is that of radiation (w = 1/3) at early times and that of cold pressureless matter (w = 0) at late times. The equation of state smoothly transitions from the early to late-time behavior and exactly describes the evolution of a species with a Dirac Delta function distribution in momentum magnitudes |p_0| (i.e. all particles have the same |p_0|). Such a component, here termed "hot matter", is an approximate model for both neutrinos and warm dark matter. We consider it alone and in combination with cold matter and with radiation, also obtaining closed-form solutions for the growth of super-horizon perturbations in each case. The idealized model recovers t(a) to better than 1.5% accuracy for all a relative to a Fermi-Dirac distribution (as describes neutrinos). We conclude by adding the second moment of the distribution to our exact solution and then generalizing to include all moments of an arbitrary momentum distribution in a closed-form solution.

Too hot to handle? Analytic solutions for massive neutrino or warm dark matter cosmologies

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Portillo, Stephen K. N.

2018-07-01

We obtain novel closed-form solutions to the Friedmann equation for cosmological models containing a component whose equation of state is that of radiation (w = 1/3) at early times and that of cold pressureless matter (w= 0) at late times. The equation of state smoothly transitions from the early- to late-time behaviour and exactly describes the evolution of a species with a Dirac delta function distribution in momentum magnitudes |{p}_0| (i.e. all particles have the same |{p}_0|). Such a component, here termed `hot matter', is an approximate model for both neutrinos and warm dark matter. We consider it alone and in combination with cold matter and with radiation, also obtaining closed-form solutions for the growth of superhorizon perturbations in each case. The idealized model recovers t(a) to better than 1.5 per cent accuracy for all a relative to a Fermi-Dirac distribution (as describes neutrinos). We conclude by adding the second moment of the distribution to our exact solution and then generalizing to include all moments of an arbitrary momentum distribution in a closed-form solution.

Investigation of the relationships between the thermodynamic phase behavior and gelation behavior of a series of tripodal trisamide compounds

NASA Astrophysics Data System (ADS)

Feng, Li

Low molecular weight organic gelators(LMOGs) are important due to potential applications in many fields. Currently, most of the major studies focus on the empirical explanation of the crystallization for gelator assembly formation and morphologies, few efforts have been devoted to the thermodynamic phase behaviors and the effect of the non-ideal solution behavior on the structure of the resultant gels. In this research, tripodal trisamide compounds, synthesized from tris(2-aminoethyl)amine (TREN) by condensation with different acid chlorides, were studied as model LMOGs due to the simple one-step reaction and the commercially available chemical reactants. Gelation of organic solvents was investigated as a function of concentration and solvent solubility parameter.It has been found that the introduction of branches or cyclic units have dramatically improves the gelation ability compared to linear alkyl peripheral units. Fitting the liquidus lines using the regular solution model and calculation of the trisamide solubility parameter using solubility parameter theory gave good agreement with the trisamide solubility parameter calculated by group contribution methods. These results demonstrate that non-ideal solution behavior is an important factor in the gelation behavior of low molecular mass organic gelators. Understanding and controlling the thermodynamics and phase behaviors of the gel systems will provide effective ways to produce new efficient LMOGs in the future.

Ideal and resistive plasma resistive wall modes and control: linear and nonlinear

NASA Astrophysics Data System (ADS)

Finn, J. M.; Chacon, L.

2004-11-01

Our recent work* on control of linear and nonlinear resistive wall modes (RWM) showed that if there is an ideal plasma mode and a resistive plasma mode, and if the beta limit for the latter is lower (as is typical), then nonlinear resistive wall modes behave basically as nonlinear tearing-like modes locked to the wall. We investigate here the effect of plasma rotation sufficient to stabilize the resistive-plasma RWM but not the ideal plasma RWM. We also review results** showing the effect of normal and poloidal magnetic field sensing, and describe a simple model which is amenable to analytic solution, and which makes previously obtained simulation results transparent. *J. Finn and L. Chacon, 'Control of linear and nonlinear resistive wall modes', Phys. Plas 11, 1866 (2004). **J. Finn, 'Control of resistive wall modes in a cylindrical tokamak with radial and poloidal magnetic field sensors', to appear in Phys. Plasmas, 2004.

The stability of freak waves with regard to external impact and perturbation of initial data

NASA Astrophysics Data System (ADS)

Smirnova, Anna; Shamin, Roman

2014-05-01

We investigate solutions of the equations, describing freak waves, in perspective of stability with regard to external impact and perturbation of initial data. The modeling of freak waves is based on numerical solution of equations describing a non-stationary potential flow of the ideal fluid with a free surface. We consider the two-dimensional infinitely deep flow. For waves modeling we use the equations in conformal variables. The variant of these equations is offered in [1]. Mathematical correctness of these equations was discussed in [2]. These works establish the uniqueness of solutions, offer the effective numerical solution calculation methods, prove the numerical convergence of these methods. The important aspect of numerical modeling of freak waves is the stability of solutions, describing these waves. In this work we study the questions of stability with regards to external impact and perturbation of initial data. We showed the stability of freak waves numerical model, corresponding to the external impact. We performed series of computational experiments with various freak wave initial data and random external impact. This impact means the power density on free surface. In each experiment examine two waves: the wave that was formed by external impact and without one. In all the experiments we see the stability of equation`s solutions. The random external impact practically does not change the time of freak wave formation and its form. Later our work progresses to the investigation of solution's stability under perturbations of initial data. We take the initial data that provide a freak wave and get the numerical solution. In common we take the numerical solution of equation with perturbation of initial data. The computing experiments showed that the freak waves equations solutions are stable under perturbations of initial data.So we can make a conclusion that freak waves are stable relatively external perturbation and perturbation of initial data both. 1. Zakharov V.E., Dyachenko A.I., Vasilyev O.A. New method for numerical simulation of a nonstationary potential flow of incompressible fluid with a free surface// Eur. J.~Mech. B Fluids. 2002. V. 21. P. 283-291. 2. R.V. Shamin. Dynamics of an Ideal Liquid with a Free Surface in Conformal Variables // Journal of Mathematical Sciences, Vol. 160, No. 5, 2009. P. 537-678. 3. R.V. Shamin, V.E. Zakharov, A.I. Dyachenko. How probability for freak wave formation can be found // THE EUROPEAN PHYSICAL JOURNAL - SPECIAL TOPICS Volume 185, Number 1, 113-124, DOI: 10.1140/epjst/e2010-01242-y

Predicting the Activity Coefficients of Free-Solvent for Concentrated Globular Protein Solutions Using Independently Determined Physical Parameters

PubMed Central

McBride, Devin W.; Rodgers, Victor G. J.

2013-01-01

The activity coefficient is largely considered an empirical parameter that was traditionally introduced to correct the non-ideality observed in thermodynamic systems such as osmotic pressure. Here, the activity coefficient of free-solvent is related to physically realistic parameters and a mathematical expression is developed to directly predict the activity coefficients of free-solvent, for aqueous protein solutions up to near-saturation concentrations. The model is based on the free-solvent model, which has previously been shown to provide excellent prediction of the osmotic pressure of concentrated and crowded globular proteins in aqueous solutions up to near-saturation concentrations. Thus, this model uses only the independently determined, physically realizable quantities: mole fraction, solvent accessible surface area, and ion binding, in its prediction. Predictions are presented for the activity coefficients of free-solvent for near-saturated protein solutions containing either bovine serum albumin or hemoglobin. As a verification step, the predictability of the model for the activity coefficient of sucrose solutions was evaluated. The predicted activity coefficients of free-solvent are compared to the calculated activity coefficients of free-solvent based on osmotic pressure data. It is observed that the predicted activity coefficients are increasingly dependent on the solute-solvent parameters as the protein concentration increases to near-saturation concentrations. PMID:24324733

Application of a flux-split algorithm to chemically relaxing, hypervelocity blunt-body flows

NASA Technical Reports Server (NTRS)

Balakrishnan, A.

1987-01-01

Viscous, nonequilibrium, hypervelocity flow fields over two axisymmetric configurations are numerically simulated using a factored, implicit, flux-split algorithm. The governing gas-dynamic and species-continuity equations for laminar flow are presented. The gas-dynamics/nonequilibrium-chemistry coupling procedure is developed as part of the solution procedure and is described in detail. Numerical solutions are presented for hypervelocity flows over a hemisphere and over an axisymmetric aeroassisted orbital transfer vehicle using three different chemistry models. The gas models considered are those for an ideal gas, for a frozen gas, and for chemically relaxing air consisting of five species. The calculated results are compared with existing numerical solutions in the literature along the stagnation line of the hemisphere. The effects of free-stream Reynolds number on the nonequilibrium flow field are discussed.

The Statistical Mechanics of Ideal MHD Turbulence

NASA Technical Reports Server (NTRS)

Shebalin, John V.

2003-01-01

Turbulence is a universal, nonlinear phenomenon found in all energetic fluid and plasma motion. In particular. understanding magneto hydrodynamic (MHD) turbulence and incorporating its effects in the computation and prediction of the flow of ionized gases in space, for example, are great challenges that must be met if such computations and predictions are to be meaningful. Although a general solution to the "problem of turbulence" does not exist in closed form, numerical integrations allow us to explore the phase space of solutions for both ideal and dissipative flows. For homogeneous, incompressible turbulence, Fourier methods are appropriate, and phase space is defined by the Fourier coefficients of the physical fields. In the case of ideal MHD flows, a fairly robust statistical mechanics has been developed, in which the symmetry and ergodic properties of phase space is understood. A discussion of these properties will illuminate our principal discovery: Coherent structure and randomness co-exist in ideal MHD turbulence. For dissipative flows, as opposed to ideal flows, progress beyond the dimensional analysis of Kolmogorov has been difficult. Here, some possible future directions that draw on the ideal results will also be discussed. Our conclusion will be that while ideal turbulence is now well understood, real turbulence still presents great challenges.

Feedback brake distribution control for minimum pitch

NASA Astrophysics Data System (ADS)

Tavernini, Davide; Velenis, Efstathios; Longo, Stefano

2017-06-01

The distribution of brake forces between front and rear axles of a vehicle is typically specified such that the same level of brake force coefficient is imposed at both front and rear wheels. This condition is known as 'ideal' distribution and it is required to deliver the maximum vehicle deceleration and minimum braking distance. For subcritical braking conditions, the deceleration demand may be delivered by different distributions between front and rear braking forces. In this research we show how to obtain the optimal distribution which minimises the pitch angle of a vehicle and hence enhances driver subjective feel during braking. A vehicle model including suspension geometry features is adopted. The problem of the minimum pitch brake distribution for a varying deceleration level demand is solved by means of a model predictive control (MPC) technique. To address the problem of the undesirable pitch rebound caused by a full-stop of the vehicle, a second controller is designed and implemented independently from the braking distribution in use. An extended Kalman filter is designed for state estimation and implemented in a high fidelity environment together with the MPC strategy. The proposed solution is compared with the reference 'ideal' distribution as well as another previous feed-forward solution.

A three-dimensional, time-dependent model of Mobile Bay

NASA Technical Reports Server (NTRS)

Pitts, F. H.; Farmer, R. C.

1976-01-01

A three-dimensional, time-variant mathematical model for momentum and mass transport in estuaries was developed and its solution implemented on a digital computer. The mathematical model is based on state and conservation equations applied to turbulent flow of a two-component, incompressible fluid having a free surface. Thus, bouyancy effects caused by density differences between the fresh and salt water, inertia from thare river and tidal currents, and differences in hydrostatic head are taken into account. The conservation equations, which are partial differential equations, are solved numerically by an explicit, one-step finite difference scheme and the solutions displayed numerically and graphically. To test the validity of the model, a specific estuary for which scaled model and experimental field data are available, Mobile Bay, was simulated. Comparisons of velocity, salinity and water level data show that the model is valid and a viable means of simulating the hydrodynamics and mass transport in non-idealized estuaries.

Trajectory Correction and Locomotion Analysis of a Hexapod Walking Robot with Semi-Round Rigid Feet

PubMed Central

Zhu, Yaguang; Jin, Bo; Wu, Yongsheng; Guo, Tong; Zhao, Xiangmo

2016-01-01

Aimed at solving the misplaced body trajectory problem caused by the rolling of semi-round rigid feet when a robot is walking, a legged kinematic trajectory correction methodology based on the Least Squares Support Vector Machine (LS-SVM) is proposed. The concept of ideal foothold is put forward for the three-dimensional kinematic model modification of a robot leg, and the deviation value between the ideal foothold and real foothold is analyzed. The forward/inverse kinematic solutions between the ideal foothold and joint angular vectors are formulated and the problem of direct/inverse kinematic nonlinear mapping is solved by using the LS-SVM. Compared with the previous approximation method, this correction methodology has better accuracy and faster calculation speed with regards to inverse kinematics solutions. Experiments on a leg platform and a hexapod walking robot are conducted with multi-sensors for the analysis of foot tip trajectory, base joint vibration, contact force impact, direction deviation, and power consumption, respectively. The comparative analysis shows that the trajectory correction methodology can effectively correct the joint trajectory, thus eliminating the contact force influence of semi-round rigid feet, significantly improving the locomotion of the walking robot and reducing the total power consumption of the system. PMID:27589766

Polarimetry With Phased Array Antennas: Theoretical Framework and Definitions

NASA Astrophysics Data System (ADS)

Warnick, Karl F.; Ivashina, Marianna V.; Wijnholds, Stefan J.; Maaskant, Rob

2012-01-01

For phased array receivers, the accuracy with which the polarization state of a received signal can be measured depends on the antenna configuration, array calibration process, and beamforming algorithms. A signal and noise model for a dual-polarized array is developed and related to standard polarimetric antenna figures of merit, and the ideal polarimetrically calibrated, maximum-sensitivity beamforming solution for a dual-polarized phased array feed is derived. A practical polarimetric beamformer solution that does not require exact knowledge of the array polarimetric response is shown to be equivalent to the optimal solution in the sense that when the practical beamformers are calibrated, the optimal solution is obtained. To provide a rough initial polarimetric calibration for the practical beamformer solution, an approximate single-source polarimetric calibration method is developed. The modeled instrumental polarization error for a dipole phased array feed with the practical beamformer solution and single-source polarimetric calibration was -10 dB or lower over the array field of view for elements with alignments perturbed by random rotations with 5 degree standard deviation.

The MgO-Al2O3-SiO2 system - Free energy of pyrope and Al2O3-enstatite. [in earth mantle formation

NASA Technical Reports Server (NTRS)

Saxena, S. K.

1981-01-01

The model of fictive ideal components is used to determine Gibbs free energies of formation of pyrope and Al2O3-enstatite from the experimental data on coexisting garnet and orthopyroxene and orthopyroxene and spinel in the temperature range 1200-1600 K. It is noted that Al2O3 forms an ideal solution with MgSiO3. These thermochemical data are found to be consistent with the Al2O3 isopleths that could be drawn using most recent experimental data and with the reversed experimental data on the garnet-spinel field boundary.

A Newton-Krylov solver for fast spin-up of online ocean tracers

NASA Astrophysics Data System (ADS)

Lindsay, Keith

2017-01-01

We present a Newton-Krylov based solver to efficiently spin up tracers in an online ocean model. We demonstrate that the solver converges, that tracer simulations initialized with the solution from the solver have small drift, and that the solver takes orders of magnitude less computational time than the brute force spin-up approach. To demonstrate the application of the solver, we use it to efficiently spin up the tracer ideal age with respect to the circulation from different time intervals in a long physics run. We then evaluate how the spun-up ideal age tracer depends on the duration of the physics run, i.e., on how equilibrated the circulation is.

Example-based learning: effects of model expertise in relation to student expertise.

PubMed

Boekhout, Paul; van Gog, Tamara; van de Wiel, Margje W J; Gerards-Last, Dorien; Geraets, Jacques

2010-12-01

Worked examples are very effective for novice learners. They typically present a written-out ideal (didactical) solution for learners to study. This study used worked examples of patient history taking in physiotherapy that presented a non-didactical solution (i.e., based on actual performance). The effects of model expertise (i.e., worked example based on advanced, third-year student model or expert physiotherapist model) in relation to students' expertise (i.e., first- or second-year) were investigated. One hundred and thirty-four physiotherapy students (61 first-year and 73 second-year). Design was 2 × 2 factorial with factors 'Student Expertise' (first-year vs. second-year) and 'Model Expertise' (expert vs. advanced student). Within expertise levels, students were randomly assigned to the Expert Example or the Advanced Student Example condition. All students studied two examples (content depending on their assigned condition) and then completed a retention and test task. They rated their invested mental effort after each example and test task. Second-year students invested less mental effort in studying the examples, and in performing the retention and transfer tasks than first-year students. They also performed better on the retention test, but not on the transfer test. In contrast to our hypothesis, there was no interaction between student expertise and model expertise: all students who had studied the Expert examples performed better on the transfer test than students who had studied Advanced Student Examples. This study suggests that when worked examples are based on actual performance, rather than an ideal procedure, expert models are to be preferred over advanced student models.

Similarity solutions for unsteady flow behind an exponential shock in a self-gravitating non-ideal gas with azimuthal magnetic field

NASA Astrophysics Data System (ADS)

Nath, G.; Pathak, R. P.; Dutta, Mrityunjoy

2018-01-01

Similarity solutions for the flow of a non-ideal gas behind a strong exponential shock driven out by a piston (cylindrical or spherical) moving with time according to an exponential law is obtained. Solutions are obtained, in both the cases, when the flow between the shock and the piston is isothermal or adiabatic. The shock wave is driven by a piston moving with time according to an exponential law. Similarity solutions exist only when the surrounding medium is of constant density. The effects of variation of ambient magnetic field, non-idealness of the gas, adiabatic exponent and gravitational parameter are worked out in detail. It is shown that the increase in the non-idealness of the gas or the adiabatic exponent of the gas or presence of magnetic field have decaying effect on the shock wave. Consideration of the isothermal flow and the self-gravitational field increase the shock strength. Also, the consideration of isothermal flow or the presence of magnetic field removes the singularity in the density distribution, which arises in the case of adiabatic flow. The result of our study may be used to interpret measurements carried out by space craft in the solar wind and in neighborhood of the Earth's magnetosphere.

Energy Efficient and Stable Weight Based Clustering for Mobile Ad Hoc Networks

NASA Astrophysics Data System (ADS)

Bouk, Safdar H.; Sasase, Iwao

Recently several weighted clustering algorithms have been proposed, however, to the best of our knowledge; there is none that propagates weights to other nodes without weight message for leader election, normalizes node parameters and considers neighboring node parameters to calculate node weights. In this paper, we propose an Energy Efficient and Stable Weight Based Clustering (EE-SWBC) algorithm that elects cluster heads without sending any additional weight message. It propagates node parameters to its neighbors through neighbor discovery message (HELLO Message) and stores these parameters in neighborhood list. Each node normalizes parameters and efficiently calculates its own weight and the weights of neighboring nodes from that neighborhood table using Grey Decision Method (GDM). GDM finds the ideal solution (best node parameters in neighborhood list) and calculates node weights in comparison to the ideal solution. The node(s) with maximum weight (parameters closer to the ideal solution) are elected as cluster heads. In result, EE-SWBC fairly selects potential nodes with parameters closer to ideal solution with less overhead. Different performance metrics of EE-SWBC and Distributed Weighted Clustering Algorithm (DWCA) are compared through simulations. The simulation results show that EE-SWBC maintains fewer average numbers of stable clusters with minimum overhead, less energy consumption and fewer changes in cluster structure within network compared to DWCA.

Changes in Apparent Molar Water Volume and DKP Solubility Yield Insights on the Hofmeister Effect

PubMed Central

Payumo, Alexander Y.; Huijon, R. Michael; Mansfield, Deauna D.; Belk, Laurel M.; Bui, Annie K.; Knight, Anne E.; Eggers, Daryl K.

2011-01-01

This study examines the properties of a 4 × 2 matrix of aqueous cations and anions at concentrations up to 8.0 M. The apparent molar water volume, as calculated by subtracting the mass and volume of the ions from the corresponding solution density, was found to exceed the molar volume of ice in many concentrated electrolyte solutions, underscoring the non-ideal behavior of these systems. The solvent properties of water were also analyzed by measuring the solubility of diketopiperazine (DKP) in 2.000 M salt solutions prepared from the same ion combinations. Solution rankings for DKP solubility were found to parallel the Hofmeister series for both cations and anions, whereas molar water volume concurred with the cation series only. The results are discussed within the framework of a desolvation energy model that attributes solute-specific changes in equilibria to solute-dependent changes in the free energy of bulk water. PMID:22029390

STABILITY OF A CYLINDRICAL SOLUTE-SOLVENT INTERFACE: EFFECT OF GEOMETRY, ELECTROSTATICS, AND HYDRODYNAMICS.

PubMed

Li, B O; Sun, Hui; Zhou, Shenggao

The solute-solvent interface that separates biological molecules from their surrounding aqueous solvent characterizes the conformation and dynamics of such molecules. In this work, we construct a solvent fluid dielectric boundary model for the solvation of charged molecules and apply it to study the stability of a model cylindrical solute-solvent interface. The motion of the solute-solvent interface is defined to be the same as that of solvent fluid at the interface. The solvent fluid is assumed to be incompressible and is described by the Stokes equation. The solute is modeled simply by the ideal-gas law. All the viscous force, hydrostatic pressure, solute-solvent van der Waals interaction, surface tension, and electrostatic force are balanced at the solute-solvent interface. We model the electrostatics by Poisson's equation in which the solute-solvent interface is treated as a dielectric boundary that separates the low-dielectric solute from the high-dielectric solvent. For a cylindrical geometry, we find multiple cylindrically shaped equilibrium interfaces that describe polymodal (e.g., dry and wet) states of hydration of an underlying molecular system. These steady-state solutions exhibit bifurcation behavior with respect to the charge density. For their linearized systems, we use the projection method to solve the fluid equation and find the dispersion relation. Our asymptotic analysis shows that, for large wavenumbers, the decay rate is proportional to wavenumber with the proportionality half of the ratio of surface tension to solvent viscosity, indicating that the solvent viscosity does affect the stability of a solute-solvent interface. Consequences of our analysis in the context of biomolecular interactions are discussed.

Selection of appropriate training and validation set chemicals for modelling dermal permeability by U-optimal design.

PubMed

Xu, G; Hughes-Oliver, J M; Brooks, J D; Yeatts, J L; Baynes, R E

2013-01-01

Quantitative structure-activity relationship (QSAR) models are being used increasingly in skin permeation studies. The main idea of QSAR modelling is to quantify the relationship between biological activities and chemical properties, and thus to predict the activity of chemical solutes. As a key step, the selection of a representative and structurally diverse training set is critical to the prediction power of a QSAR model. Early QSAR models selected training sets in a subjective way and solutes in the training set were relatively homogenous. More recently, statistical methods such as D-optimal design or space-filling design have been applied but such methods are not always ideal. This paper describes a comprehensive procedure to select training sets from a large candidate set of 4534 solutes. A newly proposed 'Baynes' rule', which is a modification of Lipinski's 'rule of five', was used to screen out solutes that were not qualified for the study. U-optimality was used as the selection criterion. A principal component analysis showed that the selected training set was representative of the chemical space. Gas chromatograph amenability was verified. A model built using the training set was shown to have greater predictive power than a model built using a previous dataset [1].

COUPLING OF CORONAL AND HELIOSPHERIC MAGNETOHYDRODYNAMIC MODELS: SOLUTION COMPARISONS AND VERIFICATION

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

Merkin, V. G.; Lionello, R.; Linker, J.

2016-11-01

Two well-established magnetohydrodynamic (MHD) codes are coupled to model the solar corona and the inner heliosphere. The corona is simulated using the MHD algorithm outside a sphere (MAS) model. The Lyon–Fedder–Mobarry (LFM) model is used in the heliosphere. The interface between the models is placed in a spherical shell above the critical point and allows both models to work in either a rotating or an inertial frame. Numerical tests are presented examining the coupled model solutions from 20 to 50 solar radii. The heliospheric simulations are run with both LFM and the MAS extension into the heliosphere, and use themore » same polytropic coronal MAS solutions as the inner boundary condition. The coronal simulations are performed for idealized magnetic configurations, with an out-of-equilibrium flux rope inserted into an axisymmetric background, with and without including the solar rotation. The temporal evolution at the inner boundary of the LFM and MAS solutions is shown to be nearly identical, as are the steady-state background solutions, prior to the insertion of the flux rope. However, after the coronal mass ejection has propagated through the significant portion of the simulation domain, the heliospheric solutions diverge. Additional simulations with different resolution are then performed and show that the MAS heliospheric solutions approach those of LFM when run with progressively higher resolution. Following these detailed tests, a more realistic simulation driven by the thermodynamic coronal MAS is presented, which includes solar rotation and an azimuthally asymmetric background and extends to the Earth’s orbit.« less

Minimum-sized ideal reactor for continuous alcohol fermentation using immobilized microorganism

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

Yamane, T.; Shimizu, S.

Recently, alcohol fermentation has gained considerable attention with the aim of lowering its production cost in the production processes of both fuel ethanol and alcoholic beverages. The over-all cost is a summation of costs of various subsystems such as raw material (sugar, starch, and cellulosic substances) treatment, fermentation process, and alcohol separation from water solutions; lowering the cost of the fermentation processes is very important in lowering the total cost. Several new techniques have been developed for economic continuous ethanol production, use of a continuous wine fermentor with no mechanical stirring, cell recycle combined with continuous removal of ethanol undermore » vaccum, a technique involving a bed of yeast admixed with an inert carrier, and use of immobilized yeast reactors in packed-bed column and in a three-stage double conical fluidized-bed bioreactor. All these techniques lead to increases more or less, in reactor productivity, which in turn result in the reduction of the reactor size for a given production rate and a particular conversion. Since an improvement in the fermentation process often leads to a reduction of fermentor size and hence, a lowering of the initial construction cost, it is important to theoretically arrive at a solution to what is the minimum-size setup of ideal reactors from the viewpoint of liquid backmixing. In this short communication, the minimum-sized ideal reactor for continuous alcohol fermentation using immobilized cells will be specifically discussed on the basis of a mathematical model. The solution will serve for designing an optimal bioreactor. (Refs. 26).« less

A higher-order split-step Fourier parabolic-equation sound propagation solution scheme.

PubMed

Lin, Ying-Tsong; Duda, Timothy F

2012-08-01

A three-dimensional Cartesian parabolic-equation model with a higher-order approximation to the square-root Helmholtz operator is presented for simulating underwater sound propagation in ocean waveguides. The higher-order approximation includes cross terms with the free-space square-root Helmholtz operator and the medium phase speed anomaly. It can be implemented with a split-step Fourier algorithm to solve for sound pressure in the model. Two idealized ocean waveguide examples are presented to demonstrate the performance of this numerical technique.

A framework for semantic interoperability in healthcare: a service oriented architecture based on health informatics standards.

PubMed

Ryan, Amanda; Eklund, Peter

2008-01-01

Healthcare information is composed of many types of varying and heterogeneous data. Semantic interoperability in healthcare is especially important when all these different types of data need to interact. Presented in this paper is a solution to interoperability in healthcare based on a standards-based middleware software architecture used in enterprise solutions. This architecture has been translated into the healthcare domain using a messaging and modeling standard which upholds the ideals of the Semantic Web (HL7 V3) combined with a well-known standard terminology of clinical terms (SNOMED CT).

Analytical theory of mesoscopic Bose-Einstein condensation in an ideal gas

NASA Astrophysics Data System (ADS)

Kocharovsky, Vitaly V.; Kocharovsky, Vladimir V.

2010-03-01

We find the universal structure and scaling of the Bose-Einstein condensation (BEC) statistics and thermodynamics (Gibbs free energy, average energy, heat capacity) for a mesoscopic canonical-ensemble ideal gas in a trap with an arbitrary number of atoms, any volume, and any temperature, including the whole critical region. We identify a universal constraint-cutoff mechanism that makes BEC fluctuations strongly non-Gaussian and is responsible for all unusual critical phenomena of the BEC phase transition in the ideal gas. The main result is an analytical solution to the problem of critical phenomena. It is derived by, first, calculating analytically the universal probability distribution of the noncondensate occupation, or a Landau function, and then using it for the analytical calculation of the universal functions for the particular physical quantities via the exact formulas which express the constraint-cutoff mechanism. We find asymptotics of that analytical solution as well as its simple analytical approximations which describe the universal structure of the critical region in terms of the parabolic cylinder or confluent hypergeometric functions. The obtained results for the order parameter, all higher-order moments of BEC fluctuations, and thermodynamic quantities perfectly match the known asymptotics outside the critical region for both low and high temperature limits. We suggest two- and three-level trap models of BEC and find their exact solutions in terms of the cutoff negative binomial distribution (which tends to the cutoff gamma distribution in the continuous limit) and the confluent hypergeometric distribution, respectively. Also, we present an exactly solvable cutoff Gaussian model of BEC in a degenerate interacting gas. All these exact solutions confirm the universality and constraint-cutoff origin of the strongly non-Gaussian BEC statistics. We introduce a regular refinement scheme for the condensate statistics approximations on the basis of the infrared universality of higher-order cumulants and the method of superposition and show how to model BEC statistics in the actual traps. In particular, we find that the three-level trap model with matching the first four or five cumulants is enough to yield remarkably accurate results for all interesting quantities in the whole critical region. We derive an exact multinomial expansion for the noncondensate occupation probability distribution and find its high-temperature asymptotics (Poisson distribution) and corrections to it. Finally, we demonstrate that the critical exponents and a few known terms of the Taylor expansion of the universal functions, which were calculated previously from fitting the finite-size simulations within the phenomenological renormalization-group theory, can be easily obtained from the presented full analytical solutions for the mesoscopic BEC as certain approximations in the close vicinity of the critical point.

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

DOE PAGES

Doebling, Scott William

2016-10-22

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

An efficient code for the simulation of nonhydrostatic stratified flow over obstacles

NASA Technical Reports Server (NTRS)

Pihos, G. G.; Wurtele, M. G.

1981-01-01

The physical model and computational procedure of the code is described in detail. The code is validated in tests against a variety of known analytical solutions from the literature and is also compared against actual mountain wave observations. The code will receive as initial input either mathematically idealized or discrete observational data. The form of the obstacle or mountain is arbitrary.

On the scaling analysis of the solute boundary layer in idealized growth configurations

NASA Astrophysics Data System (ADS)

Garandet, J. P.; Duffar, T.; Favier, J. J.

1990-11-01

A scaling procedure is applied to the equation governing chemical transport in idealized Czochralski and horizontal Bridgman growth experiments. Our purpose is to get a fair estimate of the solute boundary layer in front of the solidification interface. The results are very good in the Czochralski type configuration, the maximum error with respect to the semi-analytical solution of Burton, Prim and Schlichter being of the order of 20%. In the Bridgman type configuration, our predictions compare well with the values of the numerical simulations; however, more data would be needed for a definite conclusion to be drawn.

Simplified thermochemistry of oxygen in lithium and sodium for liquid metal cooling systems

NASA Technical Reports Server (NTRS)

Tower, L. K.

1972-01-01

Plots of oxygen chemical potential against composition of lithium-oxygen solutions and sodium-oxygen solutions for a range of temperature were constructed. For each liquid metal two such plots were prepared. For one plot ideal solution behavior was assumed. For the other plot, existing solubility limit data for oxygen in the liquid metal were used to determine a first-order term for departure from ideality. The use of the plots in evaluating the oxygen gettering capability of refractory metals in liquid metal cooling systems is illustrated by a simple example involving lithium, oxygen, and hafnium.

Simple Cell Balance Circuit

NASA Technical Reports Server (NTRS)

Johnson, Steven D.; Byers, Jerry W.; Martin, James A.

2012-01-01

A method has been developed for continuous cell voltage balancing for rechargeable batteries (e.g. lithium ion batteries). A resistor divider chain is provided that generates a set of voltages representing the ideal cell voltage (the voltage of each cell should be as if the cells were perfectly balanced). An operational amplifier circuit with an added current buffer stage generates the ideal voltage with a very high degree of accuracy, using the concept of negative feedback. The ideal voltages are each connected to the corresponding cell through a current- limiting resistance. Over time, having the cell connected to the ideal voltage provides a balancing current that moves the cell voltage very close to that ideal level. In effect, it adjusts the current of each cell during charging, discharging, and standby periods to force the cell voltages to be equal to the ideal voltages generated by the resistor divider. The device also includes solid-state switches that disconnect the circuit from the battery so that it will not discharge the battery during storage. This solution requires relatively few parts and is, therefore, of lower cost and of increased reliability due to the fewer failure modes. Additionally, this design uses very little power. A preliminary model predicts a power usage of 0.18 W for an 8-cell battery. This approach is applicable to a wide range of battery capacities and voltages.

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

Doebling, Scott William

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

Estimating the Aqueous Solubility of Pharmaceutical Hydrates

PubMed Central

Franklin, Stephen J.; Younis, Usir S.; Myrdal, Paul B.

2016-01-01

Estimation of crystalline solute solubility is well documented throughout the literature. However, the anhydrous crystal form is typically considered with these models, which is not always the most stable crystal form in water. In this study an equation which predicts the aqueous solubility of a hydrate is presented. This research attempts to extend the utility of the ideal solubility equation by incorporating desolvation energetics of the hydrated crystal. Similar to the ideal solubility equation, which accounts for the energetics of melting, this model approximates the energy of dehydration to the entropy of vaporization for water. Aqueous solubilities, dehydration and melting temperatures, and log P values were collected experimentally and from the literature. The data set includes different hydrate types and a range of log P values. Three models are evaluated, the most accurate model approximates the entropy of dehydration (ΔSd) by the entropy of vaporization (ΔSvap) for water, and utilizes onset dehydration and melting temperatures in combination with log P. With this model, the average absolute error for the prediction of solubility of 14 compounds was 0.32 log units. PMID:27238488

TOPSIS-based consensus model for group decision-making with incomplete interval fuzzy preference relations.

PubMed

Liu, Fang; Zhang, Wei-Guo

2014-08-01

Due to the vagueness of real-world environments and the subjective nature of human judgments, it is natural for experts to estimate their judgements by using incomplete interval fuzzy preference relations. In this paper, based on the technique for order preference by similarity to ideal solution method, we present a consensus model for group decision-making (GDM) with incomplete interval fuzzy preference relations. To do this, we first define a new consistency measure for incomplete interval fuzzy preference relations. Second, a goal programming model is proposed to estimate the missing interval preference values and it is guided by the consistency property. Third, an ideal interval fuzzy preference relation is constructed by using the induced ordered weighted averaging operator, where the associated weights of characterizing the operator are based on the defined consistency measure. Fourth, a similarity degree between complete interval fuzzy preference relations and the ideal one is defined. The similarity degree is related to the associated weights, and used to aggregate the experts' preference relations in such a way that more importance is given to ones with the higher similarity degree. Finally, a new algorithm is given to solve the GDM problem with incomplete interval fuzzy preference relations, which is further applied to partnership selection in formation of virtual enterprises.

Positron kinetics in an idealized PET environment

PubMed Central

Robson, R. E.; Brunger, M. J.; Buckman, S. J.; Garcia, G.; Petrović, Z. Lj.; White, R. D.

2015-01-01

The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the ‘gas-phase’ assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations. PMID:26246002

Resonance phenomena in a time-dependent, three-dimensional model of an idealized eddy

NASA Astrophysics Data System (ADS)

Rypina, I. I.; Pratt, L. J.; Wang, P.; Äe; -zgökmen, T. M.; Mezic, I.

2015-08-01

We analyze the geometry of Lagrangian motion and material barriers in a time-dependent, three-dimensional, Ekman-driven, rotating cylinder flow, which serves as an idealization for an isolated oceanic eddy and other overturning cells with cylindrical geometry in the ocean and atmosphere. The flow is forced at the top through an oscillating upper lid, and the response depends on the frequency and amplitude of lid oscillations. In particular, the Lagrangian geometry changes near the resonant tori of the unforced flow, whose frequencies are rationally related to the forcing frequencies. Multi-scale analytical expansions are used to simplify the flow in the vicinity of resonant trajectories and to investigate the resonant flow geometries. The resonance condition and scaling can be motivated by simple physical argument. The theoretically predicted flow geometries near resonant trajectories have then been confirmed through numerical simulations in a phenomenological model and in a full solution of the Navier-Stokes equations.

Perturbation measurement of waveguides for acoustic thermometry

NASA Astrophysics Data System (ADS)

Lin, H.; Feng, X. J.; Zhang, J. T.

2013-09-01

Acoustic thermometers normally embed small acoustic transducers in the wall bounding a gas-filled cavity resonator. At high temperature, insulators of transducers loss electrical insulation and degrade the signal-to-noise ratio. One essential solution to this technical trouble is to couple sound by acoustic waveguides between resonator and transducers. But waveguide will break the ideal acoustic surface and bring perturbations(Δf+ig) to the ideal resonance frequency. The perturbation model for waveguides was developed based on the first-order acoustic theory in this paper. The frequency shift Δf and half-width change g caused by the position, length and radius of waveguides were analyzed using this model. Six different length of waveguides (52˜1763 mm) were settled on the cylinder resonator and the perturbation (Δf+ig) were measured at T=332 K and p=250˜500 kPa. The experiment results agreed with the theoretical prediction very well.

Improving Barotropic Tides by Two-way Nesting High and Low Resolution Domains

NASA Astrophysics Data System (ADS)

Jeon, C. H.; Buijsman, M. C.; Wallcraft, A. J.; Shriver, J. F.; Hogan, P. J.; Arbic, B. K.; Richman, J. G.

2017-12-01

In a realistically forced global ocean model, relatively large sea-surface-height root-mean-square (RMS) errors are observed in the North Atlantic near the Hudson Strait. These may be associated with large tidal resonances interacting with coastal bathymetry that are not correctly represented with a low resolution grid. This issue can be overcome by using high resolution grids, but at a high computational cost. In this paper we apply two-way nesting as an alternative solution. This approach applies high resolution to the area with large RMS errors and a lower resolution to the rest. It is expected to improve the tidal solution as well as reduce the computational cost. To minimize modification of the original source codes of the ocean circulation model (HYCOM), we apply the coupler OASIS3-MCT. This coupler is used to exchange barotropic pressures and velocity fields through its APIs (Application Programming Interface) between the parent and the child components. The developed two-way nesting framework has been validated with an idealized test case where the parent and the child domains have identical grid resolutions. The result of the idealized case shows very small RMS errors between the child and parent solutions. We plan to show results for a case with realistic tidal forcing in which the resolution of the child grid is three times that of the parent grid. The numerical results of this realistic case are compared to TPXO data.

Ca-Rich Carbonate Melts: A Regular-Solution Model, with Applications to Carbonatite Magma + Vapor Equilibria and Carbonate Lavas on Venus

NASA Technical Reports Server (NTRS)

Treiman, Allan H.

1995-01-01

A thermochemical model of the activities of species in carbonate-rich melts would be useful in quantifying chemical equilibria between carbonatite magmas and vapors and in extrapolating liquidus equilibria to unexplored PTX. A regular-solution model of Ca-rich carbonate melts is developed here, using the fact that they are ionic liquids, and can be treated (to a first approximation) as interpenetrating regular solutions of cations and of anions. Thermochemical data on systems of alkali metal cations with carbonate and other anions are drawn from the literature; data on systems with alkaline earth (and other) cations and carbonate (and other) anions are derived here from liquidus phase equilibria. The model is validated in that all available data (at 1 kbar) are consistent with single values for the melting temperature and heat of fusion for calcite, and all liquidi are consistent with the liquids acting as regular solutions. At 1 kbar, the metastable congruent melting temperature of calcite (CaCO3) is inferred to be 1596 K, with (Delta)bar-H(sub fus)(calcite) = 31.5 +/- 1 kJ/mol. Regular solution interaction parameters (W) for Ca(2+) and alkali metal cations are in the range -3 to -12 kJ/sq mol; W for Ca(2+)-Ba(2+) is approximately -11 kJ/sq mol; W for Ca(2+)-Mg(2+) is approximately -40 kJ/sq mol, and W for Ca(2+)-La(3+) is approximately +85 kJ/sq mol. Solutions of carbonate and most anions (including OH(-), F(-), and SO4(2-)) are nearly ideal, with W between 0(ideal) and -2.5 kJ/sq mol. The interaction of carbonate and phosphate ions is strongly nonideal, which is consistent with the suggestion of carbonate-phosphate liquid immiscibility. Interaction of carbonate and sulfide ions is also nonideal and suggestive of carbonate-sulfide liquid immiscibility. Solution of H2O, for all but the most H2O-rich compositions, can be modeled as a disproportionation to hydronium (H3O(+)) and hydroxyl (OH(-)) ions with W for Ca(2+)-H3O(+) (approximately) equals 33 kJ/sq mol. The regular-solution model of carbonate melts can be applied to problems of carbonatite magma + vapor equilibria and of extrapolating liquidus equilibria to unstudied systems. Calculations on one carbonatite (the Husereau dike, Oka complex, Quebec, Canada) show that the anion solution of its magma contained an OH mole fraction of (approximately) 0.07, although the vapor in equilibrium with the magma had P(H2O) = 8.5 x P(CO2). F in carbonatite systems is calculated to be strongly partitioned into the magma (as F(-)) relative to coexisting vapor. In the Husereau carbonatite magma, the anion solution contained an F(-) mole fraction of (approximately) 6 x 10(exp -5).

Induced Power of the Helicopter Rotor

NASA Technical Reports Server (NTRS)

Ormiston, Robert A.

2004-01-01

A simplified rotor model was used to explore fundamental behavior of lifting rotor induced power at moderate and high advance ratios. Several rotor inflow theories, including dynamic inflow theory and prescribed-wake vortex theory, together with idealized notional airfoil stall models were employed. A number of unusual results were encountered at high advance ratios including trim control reversal and multiple trim solutions. Significant increases in rotor induced power (torque) above the ideal minimum were observed for moderately high advance ratio. Very high induced power was observed near and above unity advance ratio. The results were sensitive to the stall characteristics of the airfoil models used. An equivalent wing analysis was developed to determine induced power from Prandtl lifting line theory and help interpret the rotor induced power behavior in terms of the spanwise airload distribution. The equivalent wing approach was successful in capturing the principal variations of induced power for different configurations and operating conditions. The effects blade root cutout were found to have a significant effect on rotor trim and induced power at high advance ratios.

Modeling NAPL dissolution from pendular rings in idealized porous media

NASA Astrophysics Data System (ADS)

Huang, Junqi; Christ, John A.; Goltz, Mark N.; Demond, Avery H.

2015-10-01

The dissolution rate of nonaqueous phase liquid (NAPL) often governs the remediation time frame at subsurface hazardous waste sites. Most formulations for estimating this rate are empirical and assume that the NAPL is the nonwetting fluid. However, field evidence suggests that some waste sites might be organic wet. Thus, formulations that assume the NAPL is nonwetting may be inappropriate for estimating the rates of NAPL dissolution. An exact solution to the Young-Laplace equation, assuming NAPL resides as pendular rings around the contact points of porous media idealized as spherical particles in a hexagonal close packing arrangement, is presented in this work to provide a theoretical prediction for NAPL-water interfacial area. This analytic expression for interfacial area is then coupled with an exact solution to the advection-diffusion equation in a capillary tube assuming Hagen-Poiseuille flow to provide a theoretical means of calculating the mass transfer rate coefficient for dissolution at the NAPL-water interface in an organic-wet system. A comparison of the predictions from this theoretical model with predictions from empirically derived formulations from the literature for water-wet systems showed a consistent range of values for the mass transfer rate coefficient, despite the significant differences in model foundations (water wetting versus NAPL wetting, theoretical versus empirical). This finding implies that, under these system conditions, the important parameter is interfacial area, with a lesser role played by NAPL configuration.

On Multifunctional Collaborative Methods in Engineering Science

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.

2001-01-01

Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized.

Research on logistics scheduling based on PSO

NASA Astrophysics Data System (ADS)

Bao, Huifang; Zhou, Linli; Liu, Lei

2017-08-01

With the rapid development of e-commerce based on the network, the logistics distribution support of e-commerce is becoming more and more obvious. The optimization of vehicle distribution routing can improve the economic benefit and realize the scientific of logistics [1]. Therefore, the study of logistics distribution vehicle routing optimization problem is not only of great theoretical significance, but also of considerable value of value. Particle swarm optimization algorithm is a kind of evolutionary algorithm, which is based on the random solution and the optimal solution by iteration, and the quality of the solution is evaluated through fitness. In order to obtain a more ideal logistics scheduling scheme, this paper proposes a logistics model based on particle swarm optimization algorithm.

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

Nallasivam, Ulaganathan; Shah, Vishesh H.; Shenvi, Anirudh A.

We present a general Global Minimization Algorithm (GMA) to identify basic or thermally coupled distillation configurations that require the least vapor duty under minimum reflux conditions for separating any ideal or near-ideal multicomponent mixture into a desired number of product streams. In this algorithm, global optimality is guaranteed by modeling the system using Underwood equations and reformulating the resulting constraints to bilinear inequalities. The speed of convergence to the globally optimal solution is increased by using appropriate feasibility and optimality based variable-range reduction techniques and by developing valid inequalities. As a result, the GMA can be coupled with already developedmore » techniques that enumerate basic and thermally coupled distillation configurations, to provide for the first time, a global optimization based rank-list of distillation configurations.« less

Heat-flow equation motivated by the ideal-gas shock wave.

PubMed

Holian, Brad Lee; Mareschal, Michel

2010-08-01

We present an equation for the heat-flux vector that goes beyond Fourier's Law of heat conduction, in order to model shockwave propagation in gases. Our approach is motivated by the observation of a disequilibrium among the three components of temperature, namely, the difference between the temperature component in the direction of a planar shock wave, versus those in the transverse directions. This difference is most prominent near the shock front. We test our heat-flow equation for the case of strong shock waves in the ideal gas, which has been studied in the past and compared to Navier-Stokes solutions. The new heat-flow treatment improves the agreement with nonequilibrium molecular-dynamics simulations of hard spheres under strong shockwave conditions.

Cable equation for general geometry

NASA Astrophysics Data System (ADS)

López-Sánchez, Erick J.; Romero, Juan M.

2017-02-01

The cable equation describes the voltage in a straight cylindrical cable, and this model has been employed to model electrical potential in dendrites and axons. However, sometimes this equation might give incorrect predictions for some realistic geometries, in particular when the radius of the cable changes significantly. Cables with a nonconstant radius are important for some phenomena, for example, discrete swellings along the axons appear in neurodegenerative diseases such as Alzheimers, Parkinsons, human immunodeficiency virus associated dementia, and multiple sclerosis. In this paper, using the Frenet-Serret frame, we propose a generalized cable equation for a general cable geometry. This generalized equation depends on geometric quantities such as the curvature and torsion of the cable. We show that when the cable has a constant circular cross section, the first fundamental form of the cable can be simplified and the generalized cable equation depends on neither the curvature nor the torsion of the cable. Additionally, we find an exact solution for an ideal cable which has a particular variable circular cross section and zero curvature. For this case we show that when the cross section of the cable increases the voltage decreases. Inspired by this ideal case, we rewrite the generalized cable equation as a diffusion equation with a source term generated by the cable geometry. This source term depends on the cable cross-sectional area and its derivates. In addition, we study different cables with swelling and provide their numerical solutions. The numerical solutions show that when the cross section of the cable has abrupt changes, its voltage is smaller than the voltage in the cylindrical cable. Furthermore, these numerical solutions show that the voltage can be affected by geometrical inhomogeneities on the cable.

Invariant and partially-invariant solutions of the equations describing a non-stationary and isentropic flow for an ideal and compressible fluid in (3 + 1) dimensions

NASA Astrophysics Data System (ADS)

Grundland, A. M.; Lalague, L.

1996-04-01

This paper presents a new method of constructing, certain classes of solutions of a system of partial differential equations (PDEs) describing the non-stationary and isentropic flow for an ideal compressible fluid. A generalization of the symmetry reduction method to the case of partially-invariant solutions (PISs) has been formulated. We present a new algorithm for constructing PISs and discuss in detail the necessary conditions for the existence of non-reducible PISs. All these solutions have the defect structure 0305-4470/29/8/019/img1 and are computed from four-dimensional symmetric subalgebras. These theoretical considerations are illustrated by several examples. Finally, some new classes of invariant solutions obtained by the symmetry reduction method are included. These solutions represent central, conical, rational, spherical, cylindrical and non-scattering double waves.

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial

PubMed Central

Abraham-Shrauner, Barbara

2018-01-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger,1 impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen–Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput. PMID:29657769

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial.

PubMed

Pickard, William F; Abraham-Shrauner, Barbara

2018-03-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger, impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen-Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput.

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial

NASA Astrophysics Data System (ADS)

Pickard, William F.; Abraham-Shrauner, Barbara

2018-03-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger,1 impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen-Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput.

Using NMR to Determine the Boiling Point Diagram for a Non-Ideal Solution

ERIC Educational Resources Information Center

Allen, Fritz S.; And Others

1975-01-01

Describes an experiment that enables the student to concentrate on the fundamentals of the non-ideal liquid-vapor equilibrium. Presents typical student data and suggests features which might be added to the experiment. (GS)

Sorption of phenol and alkylphenols from aqueous solution onto organically modified montmorillonite and applications of dual-mode sorption model

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

Huh, J.K.; Song, D.I.; Jeon, Y.W.

2000-01-01

Single- and multisolute competitive sorptions were carried out in a batch reactor to investigate the uptake of phenol, 4-methylphenol (MeP), 2,4-dimethylphenol (DMeP), and 4-ethylphenol (EtP) dissolved in water at 25 C onto organically modified montmorillonite. Hexadecyltrimethylammonium (HDTMA) cation was exchanged for metal cations on the montmorillonite to the extent of the cation-exchange capacity (CEC) of the montmorillonite to prepare HDTMA-montmorillonite, changing its surface property from hydrophilic to organophilic. It was observed from the experimental results that the adsorption affinity on HDTMA-montmorillonite was in the order 4-EtP {approx} 2,4-DMeP > 4-MeP > phenol. The Langmuir, dual-mode sorption (DS), and Redlich-Peterson (RP)more » models were used to analyze the single-solute sorption equilibria. The competitive Langmuir model (CLM), competitive dual-mode sorption model (CDSM), and ideal adsorbed solution theory (IAST), coupled with the single-solute models (i.e., Langmuir, DS, and RP models), were used to predict the multisolute competitive sorption equilibria. All the models considered in this work yielded favorable representations of both single- and multisolute sorption behaviors. DSM, CDSM, and IAST coupled with the DSM were found to be other satisfactory models to describe the single- and multisolute sorption of the phenolic compounds onto HDTMA-montmorillonite.« less

Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation

PubMed Central

Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui

2014-01-01

Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904

Real-gas effects associated with one-dimensional transonic flow of cryogenic nitrogen

NASA Technical Reports Server (NTRS)

Adcock, J. B.

1976-01-01

Real gas solutions for one-dimensional isentropic and normal-shock flows of nitrogen were obtained for a wide range of temperatures and pressures. These calculations are compared to ideal gas solutions and are presented in tables. For temperatures (300 K and below) and pressures (1 to 10 atm) that cover those anticipated for transonic cryogenic tunnels, the solutions are analyzed to obtain indications of the magnitude of inviscid flow simulation errors. For these ranges, the maximum deviation of the various isentropic and normal shock parameters from the ideal values is about 1 percent or less, and for most wind tunnel investigations this deviation would be insignificant.

Electrolyte Solutions and Specific Ion Effects on Interfaces

ERIC Educational Resources Information Center

Friedman, Ran

2013-01-01

Introductory general and physical chemistry courses often deal with colligative properties of solutions and do not discuss nonideal solutions in detail. Yet, a growing body of evidence reveals that even at physiological concentrations electrolyte solutions cannot be treated as ideal when a charged or partially charged solute (such as a protein) is…

“Breakthrough” osmosis and unusually high power densities in Pressure-Retarded Osmosis in non-ideally semi-permeable supported membranes

PubMed Central

Yaroshchuk, Andriy

2017-01-01

Osmosis is the movement of solvent across a membrane induced by a solute-concentration gradient. It is very important for cell biology. Recently, it has started finding technological applications in the emerging processes of Forward Osmosis and Pressure-Retarded Osmosis. They use ultrathin and dense membranes supported mechanically by much thicker porous layers. Until now, these processes have been modelled by assuming the membrane to be ideally-semipermeable. We show theoretically that allowing for even minor deviations from ideal semipermeability to solvent can give rise to a previously overlooked mode of “breakthrough” osmosis. Here the rate of osmosis is very large (compared to the conventional mode) and practically unaffected by the so-called Internal Concentration Polarization. In Pressure-Retarded Osmosis, the power densities can easily exceed the conventional mode by one order of magnitude. Much more robust support layers can be used, which is an important technical advantage (reduced membrane damage) in Pressure-Retarded Osmosis. PMID:28332607

Dynamic Characteristics of Micro-Beams Considering the Effect of Flexible Supports

PubMed Central

Zhong, Zuo-Yang; Zhang, Wen-Ming; Meng, Guang

2013-01-01

Normally, the boundaries are assumed to allow small deflections and moments for MEMS beams with flexible supports. The non-ideal boundary conditions have a significant effect on the qualitative dynamical behavior. In this paper, by employing the principle of energy equivalence, rigorous theoretical solutions of the tangential and rotational equivalent stiffness are derived based on the Boussinesq's and Cerruti's displacement equations. The non-dimensional differential partial equation of the motion, as well as coupled boundary conditions, are solved analytically using the method of multiple time scales. The closed-form solution provides a direct insight into the relationship between the boundary conditions and vibration characteristics of the dynamic system, in which resonance frequencies increase with the nonlinear mechanical spring effect but decrease with the effect of flexible supports. The obtained results of frequencies and mode shapes are compared with the cases of ideal boundary conditions, and the differences between them are contrasted on frequency response curves. The influences of the support material property on the equivalent stiffness and resonance frequency shift are also discussed. It is demonstrated that the proposed model with the flexible supports boundary conditions has significant effect on the rigorous quantitative dynamical analysis of the MEMS beams. Moreover, the proposed analytical solutions are in good agreement with those obtained from finite element analyses.

Optimal design method to minimize users' thinking mapping load in human-machine interactions.

PubMed

Huang, Yanqun; Li, Xu; Zhang, Jie

2015-01-01

The discrepancy between human cognition and machine requirements/behaviors usually results in serious mental thinking mapping loads or even disasters in product operating. It is important to help people avoid human-machine interaction confusions and difficulties in today's mental work mastered society. Improving the usability of a product and minimizing user's thinking mapping and interpreting load in human-machine interactions. An optimal human-machine interface design method is introduced, which is based on the purpose of minimizing the mental load in thinking mapping process between users' intentions and affordance of product interface states. By analyzing the users' thinking mapping problem, an operating action model is constructed. According to human natural instincts and acquired knowledge, an expected ideal design with minimized thinking loads is uniquely determined at first. Then, creative alternatives, in terms of the way human obtains operational information, are provided as digital interface states datasets. In the last, using the cluster analysis method, an optimum solution is picked out from alternatives, by calculating the distances between two datasets. Considering multiple factors to minimize users' thinking mapping loads, a solution nearest to the ideal value is found in the human-car interaction design case. The clustering results show its effectiveness in finding an optimum solution to the mental load minimizing problems in human-machine interaction design.

Strategic relevance and accountability expectations: new perspectives for health care information technology design.

PubMed

Tan, J K; Modrow, R E

1999-05-01

In this article, we discuss the traditional systems analysis perspective on end-user information requirements analysis and extend it to merge with the new accountability expectations perspective to guide the future planning and design of health organization information systems. Underlying the strategic relevance of health care information technology (HCIT) are three critical questions: (1) What is the ideal HCIT model for the health organization in terms of achieving strategic expertise and competitive advantage? Specifically, how does this model link industry performance standards with organizational performance and accountability expectations? (2) How should the limitations of past HCIT models be reconciled to the benefits presented by the superior arrangement of the ideal model in the context of changing accountability expectations? (3) How should alternative HCIT solutions be evaluated in light of evidence-based accountability and organizational performance benchmarking? Insights into these questions will ensure that health care managers, HCIT practitioners and researchers can continue to focus on the most critical issues in harnessing today's fast-paced changing technologies for evolving strategically relevant, performance-based health organization systems.

Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

NASA Astrophysics Data System (ADS)

Tarumi, Moto; Nakai, Hiromi

2018-05-01

This letter proposes an approximate treatment of the harmonic solvation model (HSM) assuming the solute to be a rigid body (RB-HSM). The HSM method can appropriately estimate the Gibbs free energy for condensed phases even where an ideal gas model used by standard quantum chemical programs fails. The RB-HSM method eliminates calculations for intra-molecular vibrations in order to reduce the computational costs. Numerical assessments indicated that the RB-HSM method can evaluate entropies and internal energies with the same accuracy as the HSM method but with lower calculation costs.

Use Of REX Control System For The Ball On Spool Model

NASA Astrophysics Data System (ADS)

Ožana, Štěpán; Pieš, Martin; Hájovský, Radovan; Dočekal, Tomáš

2015-07-01

This paper deals with the design and implementation of linear quadratic controller (LQR) for modeling of Ball on Spool. The paper presents the entire process, starting from mathematical model through control design towards application of controller with the use of given hardware platform. Proposed solution by means of REX Control System provides a high level of user comfort regarding implementation of control loop, diagnostics and automatically generated visualization based on HTML5. It represents an ideal example of a complex nonlinear mechatronic system with a lot of possibilities to apply other types of controllers.

Theoretical study for volume changes associated with the helix-coil transition of peptides.

PubMed

Imai, T; Harano, Y; Kovalenko, A; Hirata, F

2001-12-01

We calculate the partial molar volumes and their changes associated with the coil(extended)-to-helix transition of two types of peptide, glycine-oligomer and glutamic acid-oligomer, in aqueous solutions by using the Kirkwood-Buff solution theory coupled with the three-dimensional reference interaction site model (3D-RISM) theory. The volume changes associated with the transition are small and positive. The volume is analyzed by decomposing it into five contributions following the procedure proposed by Chalikian and Breslauer: the ideal volume, the van der Waals volume, the void volume, the thermal volume, and the interaction volume. The ideal volumes and the van der Waals volumes do not change appreciably upon the transition. In the both cases of glycine-peptide and glutamic acid-peptide, the changes in the void volumes are positive, while those in the thermal volumes are negative, and tend to balance those in the void volumes. The change in the interaction volume of glycine-peptide does not significantly contribute, while that of glutamic acid-peptide makes a negative contribution. Copyright 2001 John Wiley & Sons, Inc. Biopolymers 59: 512-519, 2001

Analytical model of a corona discharge from a conical electrode under saturation

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Zubarev, N. M.

2012-11-01

Exact partial solutions are found for the electric field distribution in the outer region of a stationary unipolar corona discharge from an ideal conical needle in the space-charge-limited current mode with allowance for the electric field dependence of the ion mobility. It is assumed that only the very tip of the cone is responsible for the discharge, i.e., that the ionization zone is a point. The solutions are obtained by joining the spherically symmetric potential distribution in the drift space and the self-similar potential distribution in the space-charge-free region. Such solutions are outside the framework of the conventional Deutsch approximation, according to which the space charge insignificantly influences the shape of equipotential surfaces and electric lines of force. The dependence is derived of the corona discharge saturation current on the apex angle of the conical electrode and applied potential difference. A simple analytical model is suggested that describes drift in the point-plane electrode geometry under saturation as a superposition of two exact solutions for the field potential. In terms of this model, the angular distribution of the current density over the massive plane electrode is derived, which agrees well with Warburg's empirical law.

Ideal Directed-Energy System To Defeat Small Unmanned Aircraft System Swarms

DTIC Science & Technology

2017-05-21

AIR COMMAND AND STAFF COLLEGE AIR UNIVERSITY IDEAL DIRECTED- ENERGY SYSTEM TO DEFEAT SMALL UNMANNED AIRCRAFT SYSTEM SWARMS by David F. Pina...directed energy (DE) developmental systems indicate this class of weapons is the best solution. A review of several continuous wave laser, pulsed high...powered microwave, and electronic warfare/jamming systems indicate the following attributes as ideal for a future directed energy weapon (DEW) system

Hierarchical distance-based fuzzy approach to evaluate urban water supply systems in a semi-arid region.

PubMed

Yekta, Tahereh Sadeghi; Khazaei, Mohammad; Nabizadeh, Ramin; Mahvi, Amir Hossein; Nasseri, Simin; Yari, Ahmad Reza

2015-01-01

Hierarchical distance-based fuzzy multi-criteria group decision making was served as a tool to evaluate the drinking water supply systems of Qom, a semi-arid city located in central part of Iran. A list of aspects consisting of 6 criteria and 35 sub-criteria were evaluated based on a linguistic term set by five decision-makers. Four water supply alternatives including "Public desalinated distribution system", "PET Bottled Drinking Water", "Private desalinated water suppliers" and "Household desalinated water units" were assessed based on criteria and sub-criteria. Data were aggregated and normalized to apply Performance Ratings of Alternatives. Also, the Performance Ratings of Alternatives were aggregated again to achieve the Aggregate Performance Ratings. The weighted distances from ideal solution and anti-ideal solution were calculated after secondary normalization. The proximity of each alternative to the ideal solution was determined as the final step. The alternatives were ranked based on the magnitude of ideal solutions. Results showed that "Public desalinated distribution system" was the most appropriate alternative to supply the drinking needs of Qom population. Also, "PET Bottled Drinking Water" was the second acceptable option. A novel classification of alternatives to satisfy the drinking water requirements was proposed which is applicable for the other cities located in semi-arid regions of Iran. The health issues were considered as independent criterion, distinct from the environmental issues. The constraints of high-tech alternatives were also considered regarding to the level of dependency on overseas.

Multiscale Simulation of Moist Global Atmospheric Flows

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

Grabowski, Wojciech W.; Smolarkiewicz, P. K.

The overarching goal of this award was to include phase changes of the water substance and accompanying latent heating and precipitation processes into the all-scale nonhydrostatic atmospheric dynamics EUlerian/LAGrangian (EULAG) model. The model includes fluid flow solver that is based on either an unabbreviated set of the governing equations (i.e., compressible dynamics) or a simplified set of equations without sound waves (i.e., sound-proof, either anelastic or pseudo-incompressible). The latter set has been used in small-scale dynamics for decades, but its application to the all-scale dynamics (from small-scale to planetary) has never been studied in practical implementations. The highlight of themore » project is the development of the moist implicit compressible model that can be run by applying time steps, as long as the anelastic model is limited only by the computational stability of the fluid flow and not by the speed of sound waves that limit the stability of explicit compressible models. Applying various versions of the EULAG model within the same numerical framework allows for an unprecedented comparison of solutions obtained with various sets of the governing equations and straightforward evaluation of the impact of various physical parameterizations on the model solutions. The main outcomes of this study are reported in three papers, two published and one currently under review. These papers include comparisons between model solutions for idealized moist problems across the range of scales from small to planetary. These tests include: moist thermals rising in the stable-stratified environment (following Grabowski and Clark, J. Atmos. Sci. 1991) and in the moist-neutral environment (after Bryan and Fritsch, Mon. Wea. Rev. 2002), moist flows over a mesoscale topography (as in Grabowski and Smolarkiewicz, Mon. Wea. Rev. 2002), deep convection in a sheared environment (following Weisman and Klemp, Mon. Wea. Rev. 1982), moist extension of the baroclinic wave on the sphere of Jablonowski and Williamson (Q. J. R. Met. Soc. 2006), and moist extension of the Held-Suarez idealized climate benchmark (Held and Suarez, Bull. Amer. Met. Soc., 1994).« less

Experimental and modeling study of Newtonian and non-Newtonian fluid flow in pore network micromodels.

PubMed

Perrin, Christian L; Tardy, Philippe M J; Sorbie, Ken S; Crawshaw, John C

2006-03-15

The in situ rheology of polymeric solutions has been studied experimentally in etched silicon micromodels which are idealizations of porous media. The rectangular channels in these etched networks have dimensions typical of pore sizes in sandstone rocks. Pressure drop/flow rate relations have been measured for water and non-Newtonian hydrolyzed-polyacrylamide (HPAM) solutions in both individual straight rectangular capillaries and in networks of such capillaries. Results from these experiments have been analyzed using pore-scale network modeling incorporating the non-Newtonian fluid mechanics of a Carreau fluid. Quantitative agreement is seen between the experiments and the network calculations in the Newtonian and shear-thinning flow regions demonstrating that the 'shift factor,'alpha, can be calculated a priori. Shear-thickening behavior was observed at higher flow rates in the micromodel experiments as a result of elastic effects becoming important and this remains to be incorporated in the network model.

Person-centred communication for emotional support in district nursing: SAGE and THYME model.

PubMed

Griffiths, Jane

2017-12-02

Patients on district nursing caseloads have multiple physical morbidities, and related emotional concerns. District nurses are ideally placed to assess and meet patients' emotional needs but in increasingly stretched workplaces, it is difficult to find time. There is also evidence that district nurses sometimes believe they lack skills to address patients' concerns. Traditional communication skills training is useful for encouraging patients to open up about their concerns, but less helpful at finding workable solutions. District nurses can be afraid to open a 'can of worms' of concerns that they are unable to deal with. SAGE and THYME is a person-centred, evidence-based communication skills model that addresses district nurses' concerns about time and skills. It provides a structure for conversations about concerns, and empowers patients to work with district nurses to find solutions. Research suggests that it is a promising model for district nursing practice.

A survey of fuzzy logic monitoring and control utilisation in medicine.

PubMed

Mahfouf, M; Abbod, M F; Linkens, D A

2001-01-01

Intelligent systems have appeared in many technical areas, such as consumer electronics, robotics and industrial control systems. Many of these intelligent systems are based on fuzzy control strategies which describe complex systems mathematical models in terms of linguistic rules. Since the 1980s new techniques have appeared from which fuzzy logic has been applied extensively in medical systems. The justification for such intelligent systems driven solutions is that biological systems are so complex that the development of computerised systems within such environments is not always a straightforward exercise. In practice, a precise model may not exist for biological systems or it may be too difficult to model. In most cases fuzzy logic is considered to be an ideal tool as human minds work from approximate data, extract meaningful information and produce crisp solutions. This paper surveys the utilisation of fuzzy logic control and monitoring in medical sciences with an analysis of its possible future penetration.

Apatite-Melt Partitioning at 1 Bar: An Assessment of Apatite-Melt Exchange Equilibria Resulting from Non-Ideal Mixing of F and Cl in Apatite

NASA Technical Reports Server (NTRS)

McCubbin, F. M.; Ustunisik, G.; Vander Kaaden, K. E.

2016-01-01

The mineral apatite [Ca5(PO4)3(F,Cl,OH)] is present in a wide range of planetary materials. Due to the presence of volatiles within its crystal structure (X-site), many recent studies have attempted to use apatite to constrain the volatile contents of planetary magmas and mantle sources. In order to use the volatile contents of apatite to precisely determine the abundances of volatiles in coexisting silicate melt or fluids, thermodynamic models for the apatite solid solution and for the apatite components in multi-component silicate melts and fluids are required. Although some thermodynamic models for apatite have been developed, they are incomplete. Furthermore, no mixing model is available for all of the apatite components in silicate melts or fluids, especially for F and Cl components. Several experimental studies have investigated the apatite-melt and apatite-fluid partitioning behavior of F, Cl, and OH in terrestrial and planetary systems, which have determined that apatite-melt partitioning of volatiles are best described as exchange equilibria similar to Fe-Mg partitioning between olivine and silicate melt. However, McCubbin et al. recently reported that the exchange coefficients may vary in portions of apatite compositional space where F, Cl, and OH do not mix ideally in apatite. In particular, solution calorimetry data of apatite compositions along the F-Cl join exhibit substantial excess enthalpies of mixing. In the present study, we conducted apatite-melt partitioning experiments in evacuated, sealed silica-glass tubes at approximately 1 bar and 950-1050 degrees Centigrade on a synthetic Martian basalt composition equivalent to the basaltic shergottite Queen Alexandria Range (QUE) 94201. These experiments were conducted dry, at low pressure, to assess the effects of temperature and apatite composition on the partitioning behavior of F and Cl between apatite and basaltic melt along the F-Cl apatite binary join, where there is non-ideal mixing of F and Cl in apatite.

Upscaling transport of a reacting solute through a peridocially converging-diverging channel at pre-asymptotic times

NASA Astrophysics Data System (ADS)

Sund, Nicole L.; Bolster, Diogo; Dawson, Clint

2015-11-01

In this study we extend the Spatial Markov model, which has been successfully used to upscale conservative transport across a diverse range of porous media flows, to test if it can accurately upscale reactive transport, defined by a spatially heterogeneous first order degradation rate. We test the model in a well known highly simplified geometry, commonly considered as an idealized pore or fracture structure, a periodic channel with wavy boundaries. The edges of the flow domain have a layer through which there is no flow, but in which diffusion of a solute still occurs. Reactions are confined to this region. We demonstrate that the Spatial Markov model, an upscaled random walk model that enforces correlation between successive jumps, can reproduce breakthrough curves measured from microscale simulations that explicitly resolve all pertinent processes. We also demonstrate that a similar random walk model that does not enforce successive correlations is unable to reproduce all features of the measured breakthrough curves.

Steady state magnetic field configurations for the earth's magnetotail

NASA Technical Reports Server (NTRS)

Hau, L.-N.; Wolf, R. A.; Voigt, G.-H.; Wu, C. C.

1989-01-01

A two-dimensional, force-balance magnetic field model is presented. The theoretical existence of a steady state magnetic field configuration that is force-balanced and consistent with slow, lossless, adiabatic, earthward convection within the limit of the ideal MHD is demonstrated. A numerical solution is obtained for a two-dimensional magnetosphere with a rectangular magnetopause and nonflaring tail. The results are consistent with the convection time sequences reported by Erickson (1985).

Global optimization of multicomponent distillation configurations: 2. Enumeration based global minimization algorithm

DOE PAGES

Nallasivam, Ulaganathan; Shah, Vishesh H.; Shenvi, Anirudh A.; ...

2016-02-10

We present a general Global Minimization Algorithm (GMA) to identify basic or thermally coupled distillation configurations that require the least vapor duty under minimum reflux conditions for separating any ideal or near-ideal multicomponent mixture into a desired number of product streams. In this algorithm, global optimality is guaranteed by modeling the system using Underwood equations and reformulating the resulting constraints to bilinear inequalities. The speed of convergence to the globally optimal solution is increased by using appropriate feasibility and optimality based variable-range reduction techniques and by developing valid inequalities. As a result, the GMA can be coupled with already developedmore » techniques that enumerate basic and thermally coupled distillation configurations, to provide for the first time, a global optimization based rank-list of distillation configurations.« less

Probabilistic structural mechanics research for parallel processing computers

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

1991-01-01

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Nature and consequences of protein-protein interactions in high protein concentration solutions.

PubMed

Saluja, Atul; Kalonia, Devendra S

2008-06-24

High protein concentration solutions are becoming increasingly important in the pharmaceutical industry. The solution behavior of proteins at high concentrations can markedly differ from that predicted based on dilute solution analysis due to thermodynamic non-ideality in these solutions. The non-ideality observed in these systems is related to the protein-protein interactions (PPI). Different types of forces play a key role in determining the overall nature and extent of these PPI and their relative contributions are affected by solute and solvent properties. However, individual contributions of these forces to the solution properties of concentrated protein solutions are not fully understood. The role of PPI, driven by these intermolecular forces, in governing solution rheology and physical stability of high protein concentration solutions is discussed from the point of view of pharmaceutical product development. Investigation of protein self-association and aggregation in concentrated protein solutions is crucial for ensuring the safety and efficacy of the final product for the duration of the desired product shelf life. Understanding rheology of high concentration protein solutions is critical for addressing issues during product manufacture and administration of final formulation to the patient. To this end, analysis of solution viscoelastic character can also provide an insight into the nature of PPI affecting solution rheology.

Reserve network planning for fishes in the middle and lower Yangtze River basin by systematic conservation approaches.

PubMed

Huang, Xinyi; Li, Fan; Chen, Jiakuan

2016-03-01

Although China has established more than 600 wetland nature reserves, conservation gaps still exist for many species, especially for freshwater fishes. Underlying this problem is the fact that top-level planning is missing in the construction of nature reserves. To promote the development of nature reserves for fishes, this study took the middle and lower reaches of the Yangtze River basin (MLYRB) as an example to carry out top-level reserve network planning for fishes using approaches of systematic conservation planning. Typical fish species living in freshwater habitats were defined and considered in the planning. Based on sample data collected from large quantities of literatures, continuous distribution patterns of 142 fishes were obtained with species distribution modeling and subsequent processing, and the distributions of another eleven species were artificially designated. With the distribution pattern of species, Marxan was used to carry out conservation planning. To obtain ideal solutions with representativeness, persistence, and efficiency, parameters were set with careful consideration regarding existing wetland reserves, human disturbances, hydrological connectivity, and representation targets of species. Marxan produced the selection frequency of planning units (PUs) and a best solution. Selection frequency indicates the relative protection importance of a PU. The best solution is a representative of ideal fish reserve networks. Both of the PUs with high selection frequency and those in the best solution have low proportions included in existing wetland nature reserves, suggesting that there are significant conservation gaps for fish species in MLYRB. The best solution could serve as a reference for establishing a fish reserve network in the MLYRB. There is great flexibility for replacing selected PUs in the solution, and such flexibility facilitates the implementation of the solution in reality in case of unexpected obstacles. Further, we suggested adopting a freshwater management framework in the implementation of such solution.

Estimating the Aqueous Solubility of Pharmaceutical Hydrates.

PubMed

Franklin, Stephen J; Younis, Usir S; Myrdal, Paul B

2016-06-01

Estimation of crystalline solute solubility is well documented throughout the literature. However, the anhydrous crystal form is typically considered with these models, which is not always the most stable crystal form in water. In this study, an equation which predicts the aqueous solubility of a hydrate is presented. This research attempts to extend the utility of the ideal solubility equation by incorporating desolvation energetics of the hydrated crystal. Similar to the ideal solubility equation, which accounts for the energetics of melting, this model approximates the energy of dehydration to the entropy of vaporization for water. Aqueous solubilities, dehydration and melting temperatures, and log P values were collected experimentally and from the literature. The data set includes different hydrate types and a range of log P values. Three models are evaluated, the most accurate model approximates the entropy of dehydration (ΔSd) by the entropy of vaporization (ΔSvap) for water, and utilizes onset dehydration and melting temperatures in combination with log P. With this model, the average absolute error for the prediction of solubility of 14 compounds was 0.32 log units. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Modeling of multiple equilibria in the self-aggregation of di-n-decyldimethylammonium chloride/octaethylene glycol monododecyl ether/cyclodextrin ternary systems.

PubMed

Leclercq, Loïc; Lubart, Quentin; Aubry, Jean-Marie; Nardello-Rataj, Véronique

2013-05-28

The surface tension equations of binary surfactant mixtures (di-n-decyldimethylammonium chloride and octaethylene glycol monododecyl ether) are established by combining the Szyszkowski equation of surfactant solutions, the ideal or nonideal mixing theory, and the phase separation model. For surfactant mixtures, the surface tension at the air-water interface is calculated using nonideal theory due to synergism between the two adsorbed surfactant types. The incorporation of cyclodextrin complexation model to the surface tension equations gives a robust model for the description of the surface tension isotherms of binary, ternary, and more complex systems involving numerous inclusion complexes. The surface tension data obtained experimentally shows excellent agreement with the theoretical model below and above the formation of micelles. The strong synergistic effect observed between the two surfactants is disrupted by the presence of CDs, leading to ideal behavior of ternary systems. Indeed, depending on the nature of the cyclodextrin (i.e., α, β, or γ), which allows a tuning of the cavity size, the binding constants with the surfactants are modified as well as the surface properties due to strong modification of equilibria involved in the ternary mixture.

On the relationship between kinetic and fluid formalisms for convection in the inner magnetosphere

NASA Astrophysics Data System (ADS)

Song, Yang; Sazykin, Stanislav; Wolf, Richard A.

2008-08-01

In the inner magnetosphere, the plasma flows are mostly slow compared to thermal or Alfvén speeds, but the convection is far away from the ideal magnetohydrodynamic regime since the gradient/curvature drifts become significant. Both kinetic (Wolf, 1983) and two-fluid (Peymirat and Fontaine, 1994; Heinemann, 1999) formalisms have been used to describe plasma dynamics, but it is not fully understood how they relate to each other. We explore the relations among kinetic, fluid, and recently developed "average" (Liu, 2006) models in an attempt to find the simplest yet realistic way to describe the convection. First, we prove analytically that the model of (Liu, 2006), when closed with the assumption of a Maxwellian distribution, is equivalent to the fluid model of (Heinemann, 1999). Second, we analyze the transport of both one-dimensional and two-dimensional Gaussian-shaped blob of hot plasma. For the kinetic case, it is known that the time evolution of such a blob is gradual spreading in time. For the fluid case, Heinemann and Wolf (2001a, 2001b) showed that in a one-dimensional idealized case, the blob separates into two drifting at different speeds. We present a fully nonlinear solution of this case, confirming this behavior but demonstrating what appears to be a shocklike steepening of the faster drifting secondary blob. A new, more realistic two-dimensional example using the dipole geometry with a uniform electric field confirms the one-dimensional solutions. Implications for the numerical simulations of magnetospheric dynamics are discussed.

Using NASTRAN to model missile inertia loads

NASA Technical Reports Server (NTRS)

Marvin, R.; Porter, C.

1985-01-01

An important use of NASTRAN is in the area of structural loads analysis on weapon systems carried aboard aircraft. The program is used to predict bending moments and shears in missile bodies, when subjected to aircraft induced accelerations. The missile, launcher and aircraft wing are idealized, using rod and beam type elements for solution economy. Using the inertia relief capability of NASTRAN, the model is subjected to various acceleration combinations. It is found to be difficult to model the launcher sway braces and hooks which transmit compression only or tension only type forces respectively. A simple, iterative process was developed to overcome this modeling difficulty. A proposed code modification would help model compression or tension only contact type problems.

Dry solution to a sticky problem

PubMed Central

KARP, JEFFREY M.; LANGER, ROBERT

2011-01-01

Sticking plasters revolutionized the protection of minor wounds, but they’re not ideal for fragile skin. A material that mimics the adhesive properties of certain beetles’ feet might provide a solution. PMID:21886155

Conical flow near singular rays. [shock generation in ideal gas

NASA Technical Reports Server (NTRS)

Zahalak, G. I.; Myers, M. K.

1974-01-01

The steady flow of an ideal gas past a conical body is investigated by the method of matched asymptotic expansions, with particular emphasis on the flow near the singular ray occurring in linearized theory. The first-order problem governing the flow in this region is formulated, leading to the equation of Kuo, and an approximate solution is obtained in the case of compressive flow behind the main front. This solution is compared with the results of previous investigations with a view to assessing the applicability of the Lighthill-Whitham theories.

Addressing the unmet need for visualizing conditional random fields in biological data

PubMed Central

2014-01-01

Background The biological world is replete with phenomena that appear to be ideally modeled and analyzed by one archetypal statistical framework - the Graphical Probabilistic Model (GPM). The structure of GPMs is a uniquely good match for biological problems that range from aligning sequences to modeling the genome-to-phenome relationship. The fundamental questions that GPMs address involve making decisions based on a complex web of interacting factors. Unfortunately, while GPMs ideally fit many questions in biology, they are not an easy solution to apply. Building a GPM is not a simple task for an end user. Moreover, applying GPMs is also impeded by the insidious fact that the “complex web of interacting factors” inherent to a problem might be easy to define and also intractable to compute upon. Discussion We propose that the visualization sciences can contribute to many domains of the bio-sciences, by developing tools to address archetypal representation and user interaction issues in GPMs, and in particular a variety of GPM called a Conditional Random Field(CRF). CRFs bring additional power, and additional complexity, because the CRF dependency network can be conditioned on the query data. Conclusions In this manuscript we examine the shared features of several biological problems that are amenable to modeling with CRFs, highlight the challenges that existing visualization and visual analytics paradigms induce for these data, and document an experimental solution called StickWRLD which, while leaving room for improvement, has been successfully applied in several biological research projects. Software and tutorials are available at http://www.stickwrld.org/ PMID:25000815

Three-Dimensional Field Solutions for Multi-Pole Cylindrical Halbach Arrays in an Axial Orientation

NASA Technical Reports Server (NTRS)

Thompson, William K.

2006-01-01

This article presents three-dimensional B field solutions for the cylindrical Halbach array in an axial orientation. This arrangement has applications in the design of axial motors and passive axial magnetic bearings and couplers. The analytical model described here assumes ideal magnets with fixed and uniform magnetization. The field component functions are expressed as sums of 2-D definite integrals that are easily computed by a number of mathematical analysis software packages. The analysis is verified with sample calculations and the results are compared to equivalent results from traditional finite-element analysis (FEA). The field solutions are then approximated for use in flux linkage and induced EMF calculations in nearby stator windings by expressing the field variance with angular displacement as pure sinusoidal function whose amplitude depends on radial and axial position. The primary advantage of numerical implementation of the analytical approach presented in the article is that it lends itself more readily to parametric analysis and design tradeoffs than traditional FEA models.

A finite difference method for a coupled model of wave propagation in poroelastic materials.

PubMed

Zhang, Yang; Song, Limin; Deffenbaugh, Max; Toksöz, M Nafi

2010-05-01

A computational method for time-domain multi-physics simulation of wave propagation in a poroelastic medium is presented. The medium is composed of an elastic matrix saturated with a Newtonian fluid, and the method operates on a digital representation of the medium where a distinct material phase and properties are specified at each volume cell. The dynamic response to an acoustic excitation is modeled mathematically with a coupled system of equations: elastic wave equation in the solid matrix and linearized Navier-Stokes equation in the fluid. Implementation of the solution is simplified by introducing a common numerical form for both solid and fluid cells and using a rotated-staggered-grid which allows stable solutions without explicitly handling the fluid-solid boundary conditions. A stability analysis is presented which can be used to select gridding and time step size as a function of material properties. The numerical results are shown to agree with the analytical solution for an idealized porous medium of periodically alternating solid and fluid layers.

Analytic solution of magnetic induction distribution of ideal hollow spherical field sources

NASA Astrophysics Data System (ADS)

Xu, Xiaonong; Lu, Dingwei; Xu, Xibin; Yu, Yang; Gu, Min

2017-12-01

The Halbach type hollow spherical permanent magnet arrays (HSPMA) are volume compacted, energy efficient field sources, and capable of producing multi-Tesla field in the cavity of the array, which have attracted intense interests in many practical applications. Here, we present analytical solutions of magnetic induction to the ideal HSPMA in entire space, outside of array, within the cavity of array, and in the interior of the magnet. We obtain solutions using concept of magnetic charge to solve the Poisson's and Laplace's equations for the HSPMA. Using these analytical field expressions inside the material, a scalar demagnetization function is defined to approximately indicate the regions of magnetization reversal, partial demagnetization, and inverse magnetic saturation. The analytical field solution provides deeper insight into the nature of HSPMA and offer guidance in designing optimized one.

Stellar nucleosynthesis and chemical evolution of the solar neighborhood

NASA Technical Reports Server (NTRS)

Clayton, Donald D.

1988-01-01

Current theoretical models of nucleosynthesis (N) in stars are reviewed, with an emphasis on their implications for Galactic chemical evolution. Topics addressed include the Galactic population II red giants and early N; N in the big bang; star formation, stellar evolution, and the ejection of thermonuclearly evolved debris; the chemical evolution of an idealized disk galaxy; analytical solutions for a closed-box model with continuous infall; and nuclear burning processes and yields. Consideration is given to shell N in massive stars, N related to degenerate cores, and the types of observational data used to constrain N models. Extensive diagrams, graphs, and tables of numerical data are provided.

Aerosol hygroscopic growth parameterization based on a solute specific coefficient

NASA Astrophysics Data System (ADS)

Metzger, S.; Steil, B.; Xu, L.; Penner, J. E.; Lelieveld, J.

2011-09-01

Water is a main component of atmospheric aerosols and its amount depends on the particle chemical composition. We introduce a new parameterization for the aerosol hygroscopic growth factor (HGF), based on an empirical relation between water activity (aw) and solute molality (μs) through a single solute specific coefficient νi. Three main advantages are: (1) wide applicability, (2) simplicity and (3) analytical nature. (1) Our approach considers the Kelvin effect and covers ideal solutions at large relative humidity (RH), including CCN activation, as well as concentrated solutions with high ionic strength at low RH such as the relative humidity of deliquescence (RHD). (2) A single νi coefficient suffices to parameterize the HGF for a wide range of particle sizes, from nanometer nucleation mode to micrometer coarse mode particles. (3) In contrast to previous methods, our analytical aw parameterization depends not only on a linear correction factor for the solute molality, instead νi also appears in the exponent in form x · ax. According to our findings, νi can be assumed constant for the entire aw range (0-1). Thus, the νi based method is computationally efficient. In this work we focus on single solute solutions, where νi is pre-determined with the bisection method from our analytical equations using RHD measurements and the saturation molality μssat. The computed aerosol HGF and supersaturation (Köhler-theory) compare well with the results of the thermodynamic reference model E-AIM for the key compounds NaCl and (NH4)2SO4 relevant for CCN modeling and calibration studies. The equations introduced here provide the basis of our revised gas-liquid-solid partitioning model, i.e. version 4 of the EQuilibrium Simplified Aerosol Model (EQSAM4), described in a companion paper.

Two-lattice models of trace element behavior: A response

NASA Astrophysics Data System (ADS)

Ellison, Adam J. G.; Hess, Paul C.

1990-08-01

Two-lattice melt components of Bottinga and Weill (1972), Nielsen and Drake (1979), and Nielsen (1985) are applied to major and trace element partitioning between coexisting immiscible liquids studied by RYERSON and Hess (1978) and Watson (1976). The results show that (1) the set of components most successful in one system is not necessarily portable to another system; (2) solution non-ideality within a sublattice severely limits applicability of two-lattice models; (3) rigorous application of two-lattice melt components may yield effective partition coefficients for major element components with no physical interpretation; and (4) the distinction between network-forming and network-modifying components in the sense of the two-lattice models is not clear cut. The algebraic description of two-lattice models is such that they will most successfully limit the compositional dependence of major and trace element solution behavior when the effective partition coefficient of the component of interest is essentially the same as the bulk partition coefficient of all other components within its sublattice.

An analytical model with flexible accuracy for deep submicron DCVSL cells

NASA Astrophysics Data System (ADS)

Valiollahi, Sepideh; Ardeshir, Gholamreza

2018-07-01

Differential cascoded voltage switch logic (DCVSL) cells are among the best candidates of circuit designers for a wide range of applications due to advantages such as low input capacitance, high switching speed, small area and noise-immunity; nevertheless, a proper model has not yet been developed to analyse them. This paper analyses deep submicron DCVSL cells based on a flexible accuracy-simplicity trade-off including the following key features: (1) the model is capable of producing closed-form expressions with an acceptable accuracy; (2) model equations can be solved numerically to offer higher accuracy; (3) the short-circuit currents occurring in high-low/low-high transitions are accounted in analysis and (4) the changes in the operating modes of transistors during transitions together with an efficient submicron I-V model, which incorporates the most important non-ideal short-channel effects, are considered. The accuracy of the proposed model is validated in IBM 0.13 µm CMOS technology through comparisons with the accurate physically based BSIM3 model. The maximum error caused by analytical solutions is below 10%, while this amount is below 7% for numerical solutions.

Sharp Truncation of an Electric Field: An Idealized Model that Warrants Caution

NASA Astrophysics Data System (ADS)

Tu, Hong; Zhu, Jiongming

2016-03-01

In physics, idealized models are often used to simplify complex situations. The motivation of the idealization is to make the real complex system tractable by adopting certain simplifications. In this treatment some unnecessary, negligible aspects are stripped away (so-called Aristotelian idealization), or some deliberate distortions are involved (so-called Galilean idealization). The most important principle in using an idealized model is to make sure that all the neglected aspects do not affect our analysis or result. Point charges, rigid bodies, simple pendulums, frictionless planes, and isolated systems are all frequently used idealized models. However, when they are applied to certain uncommon models, extra precautions should be taken. The possibilities and necessities of adopting the idealizations have to be considered carefully. Sometimes some factors neglected or ignored in the idealization could completely change the result, even make the treatment unphysical and conclusions unscientific.

An ideal sealed source life-cycle

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

Tompkins, Joseph Andrew

2009-01-01

In the last 40 years, barriers to compliant and timely disposition of radioactive sealed sources have become apparent. The story starts with the explosive growth of nuclear gauging technologies in the 1960s. Dozens of companies in the US manufactured sources and many more created nuclear solutions to industrial gauging problems. Today they do not yet know how many Cat 1, 2, or 3 sources there are in the US. There are, at minimum, tens of thousands of sources, perhaps hundreds of thousands of sources. Affordable transportation solutions to consolidate all of these sources and disposition pathways for these sources domore » not exist. The root problem seems to be a lack of necessary regulatory framework that has allowed all of these problems to accumulate with no national plan for solving the problem. In the 1960s, Pu-238 displaced Pu-239 for most neutron and alpha source applications. In the 1970s, the availability of inexpensive Am-241 resulted in a proliferation of low energy gamma sources used in nuclear gauging, well logging, pacemakers, and X-ray fluorescence applications for example. In the 1980s, rapid expansion of worldwide petroleum exploration resulted in the expansion of Am-241 sources into international locations. Improvements of technology and regulation resulted in a change in isotopic distribution as Am-241 made Pu-239 and Pu-238 obsolete. Many early nuclear gauge technologies have been made obsolete as they were replaced by non-nuclear technoogies. With uncertainties in source end of life disposition and increased requirements for sealed source security, nuclear gauging technology is the last choice for modern process engineering gauging solutions. Over the same period, much was learned about licensing LLW disposition facilities as evident by the closure of early disposition facilities like Maxey Flats. The current difficulties in sealed source disposition start with adoption of the NLLW policy act of 1985, which created the state LLW compact system they we have today. This regulation created a new regulatory framework seen as promising at the time. However, now they recognize that, despite the good intentions, the NIJWP/85 has not solved any source disposition problems. The answer to these sealed source disposition problems is to adopt a philosophy to correct these regulatory issues, determine an interim solution, execute that solution until there is a minimal backlog of sources to deal with, and then let the mechanisms they have created solve this problem into the foreseeable future. The primary philosophical tenet of the ideal sealed source life cycle follows. You do not allow the creation (or importation) of any source whose use cannot be justified, which cannot be affordably shipped, or that does not have a well-delinated and affordable disposition pathway. The path forward dictates that we fix the problem by embracing the Ideal Source Life cycle. In figure 1, we can see some of the elements of the ideal source life cycle. The life cycle is broken down into four portions, manufacture, use, consolidation, and disposition. These four arbitrary elements allow them to focus on the ideal life cycle phases that every source should go through between manufacture and final disposition. As we examine the various phases of the sealed source life cycle, they pick specific examples and explore the adoption of the ideal life cycle model.« less

Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations.

PubMed

Rahimi, Mahshid; Singh, Jayant K; Müller-Plathe, Florian

2016-02-07

The adsorption and separation behavior of SO2-CO2, SO2-N2 and CO2-N2 binary mixtures in bundles of aligned double-walled carbon nanotubes is investigated using the grand-canonical Monte Carlo (GCMC) method and ideal adsorbed solution theory. Simulations were performed at 303 K with nanotubes of 3 nm inner diameter and various intertube distances. The results showed that the packing with an intertube distance d = 0 has the highest selectivity for SO2-N2 and CO2-N2 binary mixtures. For the SO2-CO2 case, the optimum intertube distance for having the maximum selectivity depends on the applied pressure, so that at p < 0.8 bar d = 0 shows the highest selectivity and at 0.8 bar < p < 2.5 bar, the highest selectivity belongs to d = 0.5 nm. Ideal adsorbed solution theory cannot predict the adsorption of the binary systems containing SO2, especially when d = 0. As the intertube distance is increased, the ideal adsorbed solution theory based predictions become closer to those of GCMC simulations. Only in the case of CO2-N2, ideal adsorbed solution theory is everywhere in good agreement with simulations. In a ternary mixture of all three gases, the behavior of SO2 and CO2 remains similar to that in a SO2-CO2 binary mixture because of the weak interaction between N2 molecules and CNTs.

Analytic solution of field distribution and demagnetization function of ideal hollow cylindrical field source

NASA Astrophysics Data System (ADS)

Xu, Xiaonong; Lu, Dingwei; Xu, Xibin; Yu, Yang; Gu, Min

2017-09-01

The Halbach type hollow cylindrical permanent magnet array (HCPMA) is a volume compact and energy conserved field source, which have attracted intense interests in many practical applications. Here, using the complex variable integration method based on the Biot-Savart Law (including current distributions inside the body and on the surfaces of magnet), we derive analytical field solutions to an ideal multipole HCPMA in entire space including the interior of magnet. The analytic field expression inside the array material is used to construct an analytic demagnetization function, with which we can explain the origin of demagnetization phenomena in HCPMA by taking into account an ideal magnetic hysteresis loop with finite coercivity. These analytical field expressions and demagnetization functions provide deeper insight into the nature of such permanent magnet array systems and offer guidance in designing optimized array system.

Quantum descriptions of singularities leading to pair creation. [of gravitons

NASA Technical Reports Server (NTRS)

Misner, C. W.

1974-01-01

A class of cosmological models is analyzed which provide a mathematically convenient (but idealized) description of a cosmological singularity that develops into a pair creation epoch and terminates in an adiabatic expansion with redshifting particle energies. This class of models was obtained by Gowdy (1971, 1974) as a set of exact solutions of the classical empty space Einstein equations describing inhomogeneous universes populated only by gravitational waves. It is shown that these models can be used to exhibit simplified models of quantized gravitational fields, and that a quantum description can be given arbitrarily near a cosmological singularity. Graviton pair creation occurs, and can be seen to convert anisotropic expansion rates into the energy of graviton pairs.

Simulation of charge exchange plasma propagation near an ion thruster propelled spacecraft

NASA Technical Reports Server (NTRS)

Robinson, R. S.; Kaufman, H. R.; Winder, D. R.

1981-01-01

A model describing the charge exchange plasma and its propagation is discussed, along with a computer code based on the model. The geometry of an idealized spacecraft having an ion thruster is outlined, with attention given to the assumptions used in modeling the ion beam. Also presented is the distribution function describing charge exchange production. The barometric equation is used in relating the variation in plasma potential to the variation in plasma density. The numerical methods and approximations employed in the calculations are discussed, and comparisons are made between the computer simulation and experimental data. An analytical solution of a simple configuration is also used in verifying the model.

A strategy for reducing gross errors in the generalized Born models of implicit solvation

PubMed Central

Onufriev, Alexey V.; Sigalov, Grigori

2011-01-01

The “canonical” generalized Born (GB) formula [C. Still, A. Tempczyk, R. C. Hawley, and T. Hendrickson, J. Am. Chem. Soc. 112, 6127 (1990)] is known to provide accurate estimates for total electrostatic solvation energies ΔGel of biomolecules if the corresponding effective Born radii are accurate. Here we show that even if the effective Born radii are perfectly accurate, the canonical formula still exhibits significant number of gross errors (errors larger than 2kBT relative to numerical Poisson equation reference) in pairwise interactions between individual atomic charges. Analysis of exact analytical solutions of the Poisson equation (PE) for several idealized nonspherical geometries reveals two distinct spatial modes of the PE solution; these modes are also found in realistic biomolecular shapes. The canonical GB Green function misses one of two modes seen in the exact PE solution, which explains the observed gross errors. To address the problem and reduce gross errors of the GB formalism, we have used exact PE solutions for idealized nonspherical geometries to suggest an alternative analytical Green function to replace the canonical GB formula. The proposed functional form is mathematically nearly as simple as the original, but depends not only on the effective Born radii but also on their gradients, which allows for better representation of details of nonspherical molecular shapes. In particular, the proposed functional form captures both modes of the PE solution seen in nonspherical geometries. Tests on realistic biomolecular structures ranging from small peptides to medium size proteins show that the proposed functional form reduces gross pairwise errors in all cases, with the amount of reduction varying from more than an order of magnitude for small structures to a factor of 2 for the largest ones. PMID:21528947

Provisional-Ideal-Point-Based Multi-objective Optimization Method for Drone Delivery Problem

NASA Astrophysics Data System (ADS)

Omagari, Hiroki; Higashino, Shin-Ichiro

2018-04-01

In this paper, we proposed a new evolutionary multi-objective optimization method for solving drone delivery problems (DDP). It can be formulated as a constrained multi-objective optimization problem. In our previous research, we proposed the "aspiration-point-based method" to solve multi-objective optimization problems. However, this method needs to calculate the optimal values of each objective function value in advance. Moreover, it does not consider the constraint conditions except for the objective functions. Therefore, it cannot apply to DDP which has many constraint conditions. To solve these issues, we proposed "provisional-ideal-point-based method." The proposed method defines a "penalty value" to search for feasible solutions. It also defines a new reference solution named "provisional-ideal point" to search for the preferred solution for a decision maker. In this way, we can eliminate the preliminary calculations and its limited application scope. The results of the benchmark test problems show that the proposed method can generate the preferred solution efficiently. The usefulness of the proposed method is also demonstrated by applying it to DDP. As a result, the delivery path when combining one drone and one truck drastically reduces the traveling distance and the delivery time compared with the case of using only one truck.

Thermodynamic Modeling of Organic-Inorganic Aerosols with the Group-Contribution Model AIOMFAC

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Luo, B. P.; Peter, T.

2009-04-01

Liquid aerosol particles are - from a physicochemical viewpoint - mixtures of inorganic salts, acids, water and a large variety of organic compounds (Rogge et al., 1993; Zhang et al., 2007). Molecular interactions between these aerosol components lead to deviations from ideal thermodynamic behavior. Strong non-ideality between organics and dissolved ions may influence the aerosol phases at equilibrium by means of liquid-liquid phase separations into a mainly polar (aqueous) and a less polar (organic) phase. A number of activity models exists to successfully describe the thermodynamic equilibrium of aqueous electrolyte solutions. However, the large number of different, often multi-functional, organic compounds in mixed organic-inorganic particles is a challenging problem for the development of thermodynamic models. The group-contribution concept as introduced in the UNIFAC model by Fredenslund et al. (1975), is a practical method to handle this difficulty and to add a certain predictability for unknown organic substances. We present the group-contribution model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients), which explicitly accounts for molecular interactions between solution constituents, both organic and inorganic, to calculate activities, chemical potentials and the total Gibbs energy of mixed systems (Zuend et al., 2008). This model enables the computation of vapor-liquid (VLE), liquid-liquid (LLE) and solid-liquid (SLE) equilibria within one framework. Focusing on atmospheric applications we considered eight different cations, five anions and a wide range of alcohols/polyols as organic compounds. With AIOMFAC, the activities of the components within an aqueous electrolyte solution are very well represented up to high ionic strength. We show that the semi-empirical middle-range parametrization of direct organic-inorganic interactions in alcohol-water-salt solutions enables accurate computations of vapor-liquid and liquid-liquid equilibria. References Fredenslund, A., Jones, R. L., and Prausnitz, J. M.: Group-Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures, AIChE J., 21, 1086-1099, 1975. Rogge, W. F., Mazurek, M. A., Hildemann, L. M., Cass, G. R., and Simoneit, B. R. T.: Quantification of Urban Organic Aerosols at a Molecular Level: Identification, Abundance and Seasonal Variation, Atmos. Environ., 27, 1309-1330, 1993. Zhang, Q. et al.: Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically influenced Northern Hemisphere midlatitudes, Geophys. Res. Lett., 34, L13 801, 2007. Zuend, A., Marcolli, C., Luo, B. P., and Peter, T.: A thermodynamic model of mixed organic-inorganic aerosols to predict activity coefficients, Atmos. Chem. Phys., 8, 4559-4593, 2008.

Aircraft interior noise reduction by alternate resonance tuning

NASA Technical Reports Server (NTRS)

Gottwald, James A.; Bliss, Donald B.

1990-01-01

The focus is on a noise control method which considers aircraft fuselages lined with panels alternately tuned to frequencies above and below the frequency that must be attenuated. An interior noise reduction called alternate resonance tuning (ART) is described both theoretically and experimentally. Problems dealing with tuning single paneled wall structures for optimum noise reduction using the ART methodology are presented, and three theoretical problems are analyzed. The first analysis is a three dimensional, full acoustic solution for tuning a panel wall composed of repeating sections with four different panel tunings within that section, where the panels are modeled as idealized spring-mass-damper systems. The second analysis is a two dimensional, full acoustic solution for a panel geometry influenced by the effect of a propagating external pressure field such as that which might be associated with propeller passage by a fuselage. To reduce the analysis complexity, idealized spring-mass-damper panels are again employed. The final theoretical analysis presents the general four panel problem with real panel sections, where the effect of higher structural modes is discussed. Results from an experimental program highlight real applications of the ART concept and show the effectiveness of the tuning on real structures.

Dissipative MHD solutions for resonant Alfven waves in 1-dimensional magnetic flux tubes

NASA Technical Reports Server (NTRS)

Goossens, Marcel; Ruderman, Michail S.; Hollweg, Joseph V.

1995-01-01

The present paper extends the analysis by Sakurai, Goossens, and Hollweg (1991) on resonant Alfven waves in nonuniform magnetic flux tubes. It proves that the fundamental conservation law for resonant Alfven waves found in ideal MHD by Sakurai, Goossens, and Hollweg remains valid in dissipative MHD. This guarantees that the jump conditions of Sakurai, Goossens, and Hollweg, that connect the ideal MHD solutions for xi(sub r), and P' across the dissipative layer, are correct. In addition, the present paper replaces the complicated dissipative MHD solutions obtained by Sakurai, Goossens, and Hollweg for xi(sub r), and P' in terms of double integrals of Hankel functions of complex argument of order 1/3 with compact analytical solutions that allow a straight- forward mathematical and physical interpretation. Finally, it presents an analytical dissipative MHD solution for the component of the Lagrangian displacement in the magnetic surfaces perpen- dicular to the magnetic field lines xi(sub perpendicular) which enables us to determine the dominant dynamics of resonant Alfven waves in dissipative MHD.

A new shock-capturing numerical scheme for ideal hydrodynamics

NASA Astrophysics Data System (ADS)

Fecková, Z.; Tomášik, B.

2015-05-01

We present a new algorithm for solving ideal relativistic hydrodynamics based on Godunov method with an exact solution of Riemann problem for an arbitrary equation of state. Standard numerical tests are executed, such as the sound wave propagation and the shock tube problem. Low numerical viscosity and high precision are attained with proper discretization.

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

Experimental determination of activities in FeTiO3-MnTiO3 ilmenite solid solution by redox reversals

NASA Astrophysics Data System (ADS)

Feenstra, A.; Peters, Tjerk

1996-12-01

Solid solutions of (Fe,Mn)TiO3 were synthesized, mostly at 0.10 XMn intervals, at 1 bar, 900°C and log f O 2 = 17.50. Analysis by EMP indicate an ideal stoichiometry for the Fe-Mn ilmenites with (Fe+Mn) = Ti = 1.000 when normalized to 3 oxygens. Their unit cell volume increases linearly with XMn. The composition of Fe-Mn ilmenite coexisting with metallic Fe and rutile was reversed at 1 bar, 700 900°C and fixed f O 2 in a gas-mixing furnace. Oxygen fugacity was controlled by mixing CO2 and H2 gas and was continuously monitored with an yttrium-stabilized zirconia electrolyte. Solution properties of Fe-Mn ilmenite were derived from the experimental data by mathematical programming (Engi and Feenstra, in preparation) including notably the results of Fe-Mn exchange experiments between ilmenite and garnet (Feenstra and Engi, submitted) and anchoring the standard state properties to the updated thermodynamic dataset of Berman and Aranovich (1996). The thermodynamic analysis resulted in positive deviations from ideality for (Fe,Mn)TiO3 ilmenite, which is well described by an asymmetric Margules model with WH FeFeMn = 9.703 and WH FeMnMn = 23.234 kJ/mol, WS FeFeMn = 19.65 and WS FeMnMn = 22.06 J/(K·mol). The excess free energy for Fe-Mn ilmenite derived from the redox reversals is larger than in the symmetric ilmenite model (WG FeMn = +2.2 kJ/mol) determined by O'Neill et al. from emf measurements on the assemblage iron-rutile-(Fe,Mn)ilmenite.

Computer modeling of the mechanical behavior of composites -- Interfacial cracks in fiber-reinforced materials

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

Schmauder, S.; Haake, S.; Mueller, W.H.

Computer modeling of materials and especially modeling the mechanical behavior of composites became increasingly popular in the past few years. Among them are examples of micromechanical modeling of real structures as well as idealized model structures of linear elastic and elasto-plastic material response. In this paper, Erdogan`s Integral Equation Method (IEM) is chosen as an example for a powerful method providing principle insight into elastic fracture mechanical situations. IEM or, alternatively, complex function techniques sometimes even allow for deriving analytical solutions such as in the case of a circumferential crack along a fiber/matrix interface. The analytical formulae of this interfacemore » crack will be analyzed numerically and typical results will be presented graphically.« less

Vorticity-divergence semi-Lagrangian global atmospheric model SL-AV20: dynamical core

NASA Astrophysics Data System (ADS)

Tolstykh, Mikhail; Shashkin, Vladimir; Fadeev, Rostislav; Goyman, Gordey

2017-05-01

SL-AV (semi-Lagrangian, based on the absolute vorticity equation) is a global hydrostatic atmospheric model. Its latest version, SL-AV20, provides global operational medium-range weather forecast with 20 km resolution over Russia. The lower-resolution configurations of SL-AV20 are being tested for seasonal prediction and climate modeling. The article presents the model dynamical core. Its main features are a vorticity-divergence formulation at the unstaggered grid, high-order finite-difference approximations, semi-Lagrangian semi-implicit discretization and the reduced latitude-longitude grid with variable resolution in latitude. The accuracy of SL-AV20 numerical solutions using a reduced lat-lon grid and the variable resolution in latitude is tested with two idealized test cases. Accuracy and stability of SL-AV20 in the presence of the orography forcing are tested using the mountain-induced Rossby wave test case. The results of all three tests are in good agreement with other published model solutions. It is shown that the use of the reduced grid does not significantly affect the accuracy up to the 25 % reduction in the number of grid points with respect to the regular grid. Variable resolution in latitude allows us to improve the accuracy of a solution in the region of interest.

Investigation of the properties of laser-induced cavitation bubble collapse and sound waves

NASA Astrophysics Data System (ADS)

Li, Shengyong; Ai, Xiaochuan; Wu, Ronghua; Cao, Jing

2017-02-01

The theoretical model of single bubble movement in an ideal solution, to carry on the numerical simulation of the process of cavitation in the liquid, the liquid in different laser energy, laser induced cavitation rules and acoustic characteristics were studied by high-speed camera, high frequency measurements of the hydrophone. The results show that with the increase of laser energy, the period of bubble pulsation and the maximum bubble radius increase gradually, and the amplitude of the laser acoustic signal becomes larger.

Gregory the Great's metaphor of the physician of the heart as a model for pastoral identity.

PubMed

McGrath-Merkle, Clare

2011-06-01

The identity of the Roman Catholic priesthood remains in serious crisis. Scholars have called for a return to traditional sources to find possible solutions, including the Early Church Fathers and the Hebrew Bible. Following Oden, this article further explores Pope Gregory the Great's The Book of Pastoral Rule and his ideals regarding pastoral identity. Of unique importance is his notion of the pastor as a "physician of the heart," unrecognized previously as central to his project.

What can music tell us about social interaction?

PubMed

D'Ausilio, Alessandro; Novembre, Giacomo; Fadiga, Luciano; Keller, Peter E

2015-03-01

Humans are innately social creatures, but cognitive neuroscience, that has traditionally focused on individual brains, is only now beginning to investigate social cognition through realistic interpersonal interaction. Music provides an ideal domain for doing so because it offers a promising solution for balancing the trade-off between ecological validity and experimental control when testing cognitive and brain functions. Musical ensembles constitute a microcosm that provides a platform for parametrically modeling the complexity of human social interaction. Copyright © 2015 Elsevier Ltd. All rights reserved.

Is thermal dispersivity significant for the use of heat as a tracer?

NASA Astrophysics Data System (ADS)

Rau, G. C.; Andersen, M. S.; Acworth, I.

2011-12-01

Heat profiles are regularly used to estimate sediment thermal parameters and to quantify vertical water flow velocity in fully saturated porous media. However, it has been pointed out by several authors that there is disagreement regarding the use of thermal dispersivity in heat transport models [e.g. Anderson, 2005]. Some researchers argue that this term should be treated analogous to solute transport [e.g. de Marsily, 1986], whilst others state that because heat diffusion is much faster than solute diffusion the dispersivity term can be neglected [e.g. Ingebritsen and Sanford, 1998]. This issue has never been properly addressed experimentally for environmentally relevant conditions. In order to address this question a hydraulic laboratory experiment was designed to investigate heat transport for different steady-state uniform flow velocities in the Darcy range (between 0 and 100 m/d) through homogeneous sand. For each flow velocity a point heat source at the center of the tank was instantaneously activated, and the thermal response was measured at 27 different locations using high resolution temperature probes. For the same flow velocities, a solute slug was injected in the center of the tank and the solute slug breakthrough was measured using 3 fluid EC sensors at different distances downstream of the injection point. This enabled direct comparison of solute and heat transport under identical conditions. The recorded temperature time-series data were used to calculate the thermal properties of the sand for conduction only, and estimate water flow velocity and thermal dispersion. The recorded EC time-series data were used to independently estimate water flow velocity but also solute dispersivity. The analytical solution for the solute transport case [Hunt, 1978] was adapted for heat transport and extended to account for slightly non-ideal experiment conditions. Velocity results independently derived from solute and heat show a discrepancy of up to 20%. The reason for this is not clear. Furthermore, the results show that thermal dispersivity can best be approximated with a square dependency on flow velocity. This agrees with earlier experiments in ideal materials by Green et al. [1964] as well as theoretical derivations [Kaviany, 1995]. However, this is in contrast to the linear dispersion model which has been adapted from solute transport and is commonly used in groundwater studies. The experimental results can be visualized in a conceptual plot devised by Bear [1972] for solute dispersion data (Figure 1). From this it becomes clear that the heat and solute transport Peclet numbers differs by several orders of magnitude for the same flow velocity and material because diffusion of heat is much faster than solute diffusion. As a result, the same Darcy flow range covers a different Peclet number range in heat transport and solute transport. This explains the controversy in the hydrologic community regarding the use of thermal dispersivity in transport models. In summary, for this experiment thermal dispersivity can be neglected when thermal Pe < 0.5, but should be considered for Pe > 0.5 with a square dependency on velocity.

Semi-empirical and phenomenological instrument functions for the scanning tunneling microscope

NASA Astrophysics Data System (ADS)

Feuchtwang, T. E.; Cutler, P. H.; Notea, A.

1988-08-01

Recent progress in the development of a convenient algorithm for the determination of a quantitative local density of states (LDOS) of the sample, from data measured in the STM, is reviewd. It is argued that the sample LDOS strikes a good balance between the information content of a surface characteristic and effort required to obtain it experimentally. Hence, procedures to determine the sample LDOS as directly and as tip-model independently as possible are emphasized. The solution of the STM's "inverse" problem in terms of novel versions of the instrument (or Green) function technique is considered in preference to the well known, more direct solutions. Two types of instrument functions are considered: Approximations of the basic tip-instrument function obtained from the transfer Hamiltonian theory of the STM-STS. And, phenomenological instrument functions devised as a systematic scheme for semi-empirical first order corrections of "ideal" models. The instrument function, in this case, describes the corrections as the response of an independent component of the measuring apparatus inserted between the "ideal" instrument and the measured data. This linear response theory of measurement is reviewed and applied. A procedure for the estimation of the consistency of the model and the systematic errors due to the use of an approximate instrument function is presented. The independence of the instrument function techniques from explicit microscopic models of the tip is noted. The need for semi-empirical, as opposed to strictly empirical or analytical determination of the instrument function is discussed. The extension of the theory to the scanning tunneling spectrometer is noted, as well as its use in a theory of resolution.

Use DNA solutions to model polymer entanglement in flow: simultaneous rheometric and particle-tracking velocimetric measurements

NASA Astrophysics Data System (ADS)

Boukany, Pouyan; Wang, Shi-Qing

2008-03-01

Entangled aqueous DNA solutions are ideal as a model system to examine nonlinear flow features including stress overshoot in startup shear and shear thinning phenomenon. These soft systems can be strongly entangled with 60 entanglement points per chain and a terminal relaxation time as long as 1000 s at 1 % concentration [1-2]. They allow a comparison between the steady state attained with a startup shear and that attained through an ``infinitely'' slow ramping up of the applied shear rate. Indeed, startup shear in the nonlinear (stress plateau) region causes the DNA solutions to yield inhomogeneously, resulting in permanent shear banding. However, the slowly ramped-up shear into the same final rate as applied in startup shear allowed the solutions to avoid shear inhomogeneity. Thus, we demonstrated that it is possible for the final steady states to be different depending on how an entangled system is brought into the same final experimental condition. This result implies that it is ill-defined to pursue conventional constitutive relationship in flow of entangled polymers. [1] Boukany, P. E.; Hu, T. H.; Wang, S. Q. textitMacromolecules 2007, under review. [2] Boukany, P. E.; Wang, S. Q. J. Rheol. 2007, under review.

Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

NASA Astrophysics Data System (ADS)

Schilder, J.; Ellenbroek, M.; de Boer, A.

2017-12-01

In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

A Floating Node Method for the Modelling of Discontinuities Within a Finite Element

NASA Technical Reports Server (NTRS)

Pinho, Silvestre T.; Chen, B. Y.; DeCarvalho, Nelson V.; Baiz, P. M.; Tay, T. E.

2013-01-01

This paper focuses on the accurate numerical representation of complex networks of evolving discontinuities in solids, with particular emphasis on cracks. The limitation of the standard finite element method (FEM) in approximating discontinuous solutions has motivated the development of re-meshing, smeared crack models, the eXtended Finite Element Method (XFEM) and the Phantom Node Method (PNM). We propose a new method which has some similarities to the PNM, but crucially: (i) does not introduce an error on the crack geometry when mapping to natural coordinates; (ii) does not require numerical integration over only part of a domain; (iii) can incorporate weak discontinuities and cohesive cracks more readily; (iv) is ideally suited for the representation of multiple and complex networks of (weak, strong and cohesive) discontinuities; (v) leads to the same solution as a finite element mesh where the discontinuity is represented explicitly; and (vi) is conceptually simpler than the PNM.

MoNbTaV Medium-Entropy Alloy

DOE PAGES

Yao, Hongwei; Qiao, Jun -Wei; Gao, Michael; ...

2016-05-19

Guided by CALPHAD (Calculation of Phase Diagrams) modeling, the refractory medium-entropy alloy MoNbTaV was synthesized by vacuum arc melting under a high-purity argon atmosphere. A body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingot using X-ray diffraction and scanning electron microscopy. The measured lattice parameter of the alloy (3.208 Å) obeys the rule of mixtures (ROM), but the Vickers microhardness (4.95 GPa) and the yield strength (1.5 GPa) are about 4.5 and 4.6 times those estimated from the ROM, respectively. Using a simple model on solid solution strengthening predicts a yield strength of approximately 1.5 GPa. Inmore » conclusion, thermodynamic analysis shows that the total entropy of the alloy is more than three times the configurational entropy at room temperature, and the entropy of mixing exhibits a small negative departure from ideal mixing.« less

Solubility modeling of refrigerant/lubricant mixtures

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

Michels, H.H.; Sienel, T.H.

1996-12-31

A general model for predicting the solubility properties of refrigerant/lubricant mixtures has been developed based on applicable theory for the excess Gibbs energy of non-ideal solutions. In our approach, flexible thermodynamic forms are chosen to describe the properties of both the gas and liquid phases of refrigerant/lubricant mixtures. After an extensive study of models for describing non-ideal liquid effects, the Wohl-suffix equations, which have been extensively utilized in the analysis of hydrocarbon mixtures, have been developed into a general form applicable to mixtures where one component is a POE lubricant. In the present study we have analyzed several POEs wheremore » structural and thermophysical property data were available. Data were also collected from several sources on the solubility of refrigerant/lubricant binary pairs. We have developed a computer code (NISC), based on the Wohl model, that predicts dew point or bubble point conditions over a wide range of composition and temperature. Our present analysis covers mixtures containing up to three refrigerant molecules and one lubricant. The present code can be used to analyze the properties of R-410a and R-407c in mixtures with a POE lubricant. Comparisons with other models, such as the Wilson or modified Wilson equations, indicate that the Wohl-suffix equations yield more reliable predictions for HFC/POE mixtures.« less

Integrability from point symmetries in a family of cosmological Horndeski Lagrangians

NASA Astrophysics Data System (ADS)

Dimakis, N.; Giacomini, Alex; Paliathanasis, Andronikos

2017-07-01

For a family of Horndeski theories, formulated in terms of a generalized Galileon model, we study the integrability of the field equations in a Friedmann-Lemaître-Robertson-Walker space-time. We are interested in point transformations which leave invariant the field equations. Noether's theorem is applied to determine the conservation laws for a family of models that belong to the same general class. The cosmological scenarios with or without an extra perfect fluid with constant equation of state parameter are the two important cases of our study. The de Sitter universe and ideal gas solutions are derived by using the invariant functions of the symmetry generators as a demonstration of our result. Furthermore, we discuss the connection of the different models under conformal transformations while we show that when the Horndeski theory reduces to a canonical field the same holds for the conformal equivalent theory. Finally, we discuss how singular solutions provides nonsingular universes in a different frame and vice versa.

Publishing biomedical journals on the World-Wide Web using an open architecture model.

PubMed Central

Shareck, E. P.; Greenes, R. A.

1996-01-01

BACKGROUND: In many respects, biomedical publications are ideally suited for distribution via the World-Wide Web, but economic concerns have prevented the rapid adoption of an on-line publishing model. PURPOSE: We report on our experiences with assisting biomedical journals in developing an online presence, issues that were encountered, and methods used to address these issues. Our approach is based on an open architecture that fosters adaptation and interconnection of biomedical resources. METHODS: We have worked with the New England Journal of Medicine (NEJM), as well as five other publishers. A set of tools and protocols was employed to develop a scalable and customizable solution for publishing journals on-line. RESULTS: In March, 1996, the New England Journal of Medicine published its first World-Wide Web issue. Explorations with other publishers have helped to generalize the model. CONCLUSIONS: Economic and technical issues play a major role in developing World-Wide Web publishing solutions. PMID:8947685

Self-Consistent and Time-Dependent Solar Wind Models

NASA Technical Reports Server (NTRS)

Ong, K. K.; Musielak, Z. E.; Rosner, R.; Suess, S. T.; Sulkanen, M. E.

1997-01-01

We describe the first results from a self-consistent study of Alfven waves for the time-dependent, single-fluid magnetohydrodynamic (MHD) solar wind equations, using a modified version of the ZEUS MHD code. The wind models we examine are radially symmetrical and magnetized; the initial outflow is described by the standard Parker wind solution. Our study focuses on the effects of Alfven waves on the outflow and is based on solving the full set of the ideal nonlinear MHD equations. In contrast to previous studies, no assumptions regarding wave linearity, wave damping, and wave-flow interaction are made; thus, the models naturally account for the back-reaction of the wind on the waves, as well as for the nonlinear interaction between different types of MHD waves. Our results clearly demonstrate when momentum deposition by Alfven waves in the solar wind can be sufficient to explain the origin of fast streams in solar coronal holes; we discuss the range of wave amplitudes required to obtained such fast stream solutions.

It's Complicated: Negotiating Between Traditional Research and Community-Based Participatory Research in a Translational Study.

PubMed

Hopkins, Allison L; Moore-Monroy, Martha; Wilkinson-Lee, Ada M; Nuño, Velia Leybas; Armenta, Alexandra; Lopez, Elvia; Vanzzini, Susan; Garcia, Francisco A

2016-01-01

The Interactive Systems Framework (ISF), a guide for translational research, encourages the balancing of traditional research and community-based participatory research (CBPR) approaches. This paper focuses on the challenges, solutions, and lessons learned in applying the ISF to our translational research project. A community-campus partnership translated evidence-based screening guidelines on sexually transmitted infections (STIs) and depression into culturally relevant educational materials. Community health workers (CHWs) disseminated the information through a cross-over design to Hispanic women in Pima County, Arizona. Challenges, solutions, and lessons learned were identified throughout this process. We identified challenges in the areas of research design, and in the ISF systems of prevention synthesis and translation, prevention support, and prevention delivery. We successfully negotiate solutions between the scientific and local community that resulted in acceptable compromises for both groups. The model presented by the ISF is difficult to achieve, but we offer concrete solutions to community members and scientists to move toward that ideal.

Impedance of strip-traveling waves on an elastic half space - Asymptotic solution

NASA Technical Reports Server (NTRS)

Crandall, S. H.; Nigam, A. K.

1973-01-01

The dynamic normal-load distribution across a strip that is required to maintain a plane progressive wave along its length is studied for the case where the strip is of infinite length and lies on the surface of a homogeneous isotropic elastic half space. This configuration is proposed as a preliminary idealized model for analyzing the dynamic interaction between soils and flexible foundations. The surface load distribution across the strip and the motion of the strip are related by a pair of dual integral equations. An asymptotic solution is obtained for the limiting case of small wavelength. The nature of this solution depends importantly on the propagation velocity of the strip-traveling wave in comparison with the Rayleigh wave speed, the shear wave speed and the dilatational wave speed. When the strip-traveling wave propagates faster than the Rayleigh wave speed, a pattern of trailing Rayleigh waves is shed from the strip. The limiting amplitude of the trailing waves is provided by the asymptotic solution.

Scalable Parallel Computation for Extended MHD Modeling of Fusion Plasmas

NASA Astrophysics Data System (ADS)

Glasser, Alan H.

2008-11-01

Parallel solution of a linear system is scalable if simultaneously doubling the number of dependent variables and the number of processors results in little or no increase in the computation time to solution. Two approaches have this property for parabolic systems: multigrid and domain decomposition. Since extended MHD is primarily a hyperbolic rather than a parabolic system, additional steps must be taken to parabolize the linear system to be solved by such a method. Such physics-based preconditioning (PBP) methods have been pioneered by Chac'on, using finite volumes for spatial discretization, multigrid for solution of the preconditioning equations, and matrix-free Newton-Krylov methods for the accurate solution of the full nonlinear preconditioned equations. The work described here is an extension of these methods using high-order spectral element methods and FETI-DP domain decomposition. Application of PBP to a flux-source representation of the physics equations is discussed. The resulting scalability will be demonstrated for simple wave and for ideal and Hall MHD waves.

Experimentally determined compositions of diopside-jadeite pyroxene in equilibrium with albite and quartz at 1200-1350°C and 15-34 kbar

NASA Astrophysics Data System (ADS)

Gasparik, Tibor

1985-03-01

Equilibrium compositions of diopside-jadeite pyroxene coexisting with albite and quartz were experimentally determined at 25 different P-T conditions, using an electron microprobe for analysis. The new data and the 600°C data of HOLLAND (1983) provided the following mixing properties of the diopside (Di)-jadeite (Jd) solid solution (J, K): Gxs = XJdXDi[12600 - 9.45 T + (12600 - 7.6 T)( XJd - XDi) - (21400 - 16.2 T)( XJd - XDi) 2]. The Di-Jd solution is close to ideal above 1000°C but immiscible below 565°C. The Di-Jd solvus is slightly asymmetric with the crest at composition Di 42.4Jd 57.6. Excess enthalpy is positive but smaller than indicated by the enthalpy of solution measurements of WOODet al. (1980). Disorder in the Di-Jd solution is significantly smaller than complete disorder implied by the ionic two-site model.

On the origin of the phase-space diffusion limit in (dis)ordered protein aggregation

NASA Astrophysics Data System (ADS)

Gadomski, A.; Siódmiak, J.; Santamaría-Holek, I.

2013-08-01

Derivation of a phase-space diffusion limit (D-L) allows to obtain a useful formula for a characteristic width of the macroion-channeling filter, controlling model (dis)ordered protein aggregations in a non-ideal aqueous solution. The channel’s width is estimated at the order of an inner half-width of the Stern-type double layer circumventing the growing object and depends in turn on an interplay of the local thermal and electrostatic conditions. The interfacial channeling effect manifests at the edge of biomolecular hydration-duration dependent (non)Markovianity of the system. The interface vs. solution aggregation late-time dynamics are discussed in such local (non)isothermal context with the aim to suggest their experimental assessment.

Modeling the controllable pH-responsive swelling and pore size of networked alginate based biomaterials.

PubMed

Chan, Ariel W; Neufeld, Ronald J

2009-10-01

Semisynthetic network alginate polymer (SNAP), synthesized by acetalization of linear alginate with di-aldehyde, is a pH-responsive tetrafunctionally linked 3D gel network, and has potential application in oral delivery of protein therapeutics and active biologicals, and as tissue bioscaffold for regenerative medicine. A constitutive polyelectrolyte gel model based on non-Gaussian polymer elasticity, Flory-Huggins liquid lattice theory, and non-ideal Donnan membrane equilibria was derived, to describe SNAP gel swelling in dilute and ionic solutions containing uni-univalent, uni-bivalent, bi-univalent or bi-bi-valent electrolyte solutions. Flory-Huggins interaction parameters as a function of ionic strength and characteristic ratio of alginates of various molecular weights were determined experimentally to numerically predict SNAP hydrogel swelling. SNAP hydrogel swells pronouncedly to 1000 times in dilute solution, compared to its compact polymer volume, while behaving as a neutral polymer with limited swelling in high ionic strength or low pH solutions. The derived model accurately describes the pH-responsive swelling of SNAP hydrogel in acid and alkaline solutions of wide range of ionic strength. The pore sizes of the synthesized SNAP hydrogels of various crosslink densities were estimated from the derived model to be in the range of 30-450 nm which were comparable to that measured by thermoporometry, and diffusion of bovine serum albumin. The derived equilibrium swelling model can characterize hydrogel structure such as molecular weight between crosslinks and crosslinking density, or can be used as predictive model for swelling, pore size and mechanical properties if gel structural information is known, and can potentially be applied to other point-link network polyelectrolytes such as hyaluronic acid gel.

Ionic interactions in biological and physical systems: a variational treatment.

PubMed

Eisenberg, Bob

2013-01-01

Chemistry is about chemical reactions. Chemistry is about electrons changing their configurations as atoms and molecules react. Chemistry has for more than a century studied reactions as if they occurred in ideal conditions of infinitely dilute solutions. But most reactions occur in salt solutions that are not ideal. In those solutions everything (charged) interacts with everything else (charged) through the electric field, which is short and long range extending to the boundaries of the system. Mathematics has recently been developed to deal with interacting systems of this sort. The variational theory of complex fluids has spawned the theory of liquid crystals (or vice versa). In my view, ionic solutions should be viewed as complex fluids, particularly in the biological and engineering context. In both biology and electrochemistry ionic solutions are mixtures highly concentrated (to approximately 10 M) where they are most important, near electrodes, nucleic ids, proteins, active sites of enzymes, and ionic channels. Ca2+ is always involved in biological solutions because the concentration (really free energy per mole) of Ca2+ in a particular location is the signal that controls many biological functions. Such interacting systems are not simple fluids, and it is no wonder that analysis of interactions, such as the Hofmeister series, rooted in that tradition has not succeeded as one would hope. Here, we present a variational treatment of ard spheres in a frictional dielectric with the hope that such a treatment of an lectrolyte as a complex fluid will be productive. The theory automatically extends to spatially nonuniform boundary conditions and the nonequilibrium systems and flows they produce. The theory is unavoidably self-consistent since differential equations are derived (not assumed) from models of (Helmholtz free) nergy and dissipation of the electrolyte. The origin of the Hofmeister series is (in my view) an inverse problem that becomes well posed when enough data from disjoint experimental traditions are interpreted with a self-consistent theory.

On the theory of polarization radiation in media with sharp boundaries

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

Karlovets, D. V., E-mail: d.karlovets@gmail.com

2011-07-15

Polarization radiation generated when a point charge moves uniformly along a straight line in vacuum in the vicinity of media with a finite permittivity {epsilon}({omega}) = {epsilon} Prime + i{epsilon} Double-Prime and sharp boundaries is considered. A method is developed in which polarization radiation is represented as the field of the current induced in the substance by the field of the moving charge. The solution to the problem of radiation induced when a charge moves along the axis of a cylindrical vacuum channel in a thin screen with a finite radius and a finite permittivity is obtained. Depending on themore » parameters of the problem, this solution describes various types of radiation (Cherenkov, transition, and diffraction radiation). In particular, when the channel radius tends to zero and the outer radius of the screen tends to infinity, the expression derived for the emitted energy coincides with the known solution for transition radiation in a plate. In another particular case of ideal conductivity ({epsilon} Double-Prime {yields} {infinity}), the relevant formula coincides with the known results for diffraction radiation from a circular aperture in an infinitely thin screen. The solution is obtained to the problem of radiation generated when the charge flies near a thin rectangular screen with a finite permittivity. This solution describes the diffraction and Cherenkov mechanisms of radiation and takes into account possible multiple re-reflections of radiation in the screen. The solution to the problem of radiation generated when a particles flies near a thin grating consisting of a finite number of strips having a rectangular cross section and a finite permittivity and separated by vacuum gaps (Smith-Purcell radiation) is also obtained. In the special case of ideal conductivity, the expression derived for the emitted energy coincides with the known result in the model of surface currents.« less

Kinetic-limited etching of magnesium doping nitrogen polar GaN in potassium hydroxide solution

NASA Astrophysics Data System (ADS)

Jiang, Junyan; Zhang, Yuantao; Chi, Chen; Yang, Fan; Li, Pengchong; Zhao, Degang; Zhang, Baolin; Du, Guotong

2016-01-01

KOH based wet etchings were performed on both undoped and Mg-doped N-polar GaN films grown by metal-organic chemical vapor deposition. It is found that the etching rate for Mg-doped N-polar GaN gets slow obviously compared with undoped N-polar GaN. X-ray photoelectron spectroscopy analysis proved that Mg oxide formed on N-polar GaN surface is insoluble in KOH solution so that kinetic-limited etching occurs as the etching process goes on. The etching process model of Mg-doped N-polar GaN in KOH solution is tentatively purposed using a simplified ideal atomic configuration. Raman spectroscopy analysis reveals that Mg doping can induce tensile strain in N-polar GaN films. Meanwhile, p-type N-polar GaN film with a hole concentration of 2.4 ÿ 1017 cm⿿3 was obtained by optimizing bis-cyclopentadienyl magnesium flow rates.

Removal of Cd (II) from water using the waste of jatropha fruit ( Jatropha curcas L.)

NASA Astrophysics Data System (ADS)

Nacke, Herbert; Gonçalves, Affonso Celso; Coelho, Gustavo Ferreira; Schwantes, Daniel; Campagnolo, Marcelo Angelo; Leismann, Eduardo Ariel Völz; Junior, Élio Conradi; Miola, Alisson Junior

2017-10-01

The aim of this work was to evaluate the removal of Cd (II) from water using three biosorbents originated from the biomass of jatropha (bark, endosperm, and endosperm + tegument). For that, batch tests were performed to verify the effect of solution pH, adsorbent mass, contact time, initial concentration of Cd (II), and the temperature of the process. The adsorption process was evaluated by the studies of kinetics, isotherms, and thermodynamics. The ideal conditions of solution pH were 5.5 and 8 g L-1 of adsorbent mass of biosorbents by solution volume, with an equilibrium time of 60 min. According to the Langmuir model, the maximum adsorption capacity for bark, endosperm, and bark + endosperm of jatropha was, respectively, 29.665, 19.562, and 34.674 mg g-1, predominating chemisorption in monolayers. The biosorbents presented potential for the remediation of waters contaminated with Cd (II).

A conceptual solution for a beam halo collimation system for the Future Circular hadron-hadron Collider (FCC-hh)

NASA Astrophysics Data System (ADS)

Fiascaris, M.; Bruce, R.; Redaelli, S.

2018-06-01

We present the first conceptual solution for a collimation system for the hadron-hadron option of the Future Circular Collider (FCC-hh). The collimation layout is based on the scaling of the present Large Hadron Collider collimation system to the FCC-hh energy and it includes betatron and momentum cleaning, as well as dump protection collimators and collimators in the experimental insertions for protection of the final focus triplet magnets. An aperture model for the FCC-hh is defined and the geometrical acceptance is calculated at injection and collision energy taking into account mechanical and optics imperfections. The performance of the system is then assessed through the analysis of normalized halo distributions and complete loss maps for an ideal lattice. The performance limitations are discussed and a solution to improve the system performance with the addition of dispersion suppression collimators around the betatron cleaning insertion is presented.

Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences.

PubMed

Rinaldelli, Mauro; Ravera, Enrico; Calderone, Vito; Parigi, Giacomo; Murshudov, Garib N; Luchinat, Claudio

2014-04-01

The program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic data and paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and/or diamagnetic residual dipolar couplings. Incorporation of these long-range NMR restraints in REFMAC5 can reveal differences between solid-state and solution conformations of molecules or, in their absence, can be used together with X-ray crystallographic data for structural refinement. Since NMR and X-ray data are complementary, when a single structure is consistent with both sets of data and still maintains reasonably `ideal' geometries, the reliability of the derived atomic model is expected to increase. The program was tested on five different proteins: the catalytic domain of matrix metalloproteinase 1, GB3, ubiquitin, free calmodulin and calmodulin complexed with a peptide. In some cases the joint refinement produced a single model consistent with both sets of observations, while in other cases it indicated, outside the experimental uncertainty, the presence of different protein conformations in solution and in the solid state.

Solubility of lovastatin in a family of six alcohols: Ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, and 1-octanol.

PubMed

Nti-Gyabaah, J; Chmielowski, R; Chan, V; Chiew, Y C

2008-07-09

Accurate experimental determination of solubility of active pharmaceutical ingredients (APIs) in solvents and its correlation, for solubility prediction, is essential for rapid design and optimization of isolation, purification, and formulation processes in the pharmaceutical industry. An efficient material-conserving analytical method, with in-line reversed HPLC separation protocol, has been developed to measure equilibrium solubility of lovastatin in ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, and 1-octanol between 279 and 313K. Fusion enthalpy DeltaH(fus), melting point temperature, Tm, and the differential molar heat capacity, DeltaC(P), were determined by differential scanning calorimetry (DSC) to be 43,136J/mol, 445.5K, and 255J/(molK), respectively. In order to use the regular solution equation, simplified assumptions have been made concerning DeltaC(P), specifically, DeltaC(P)=0, or DeltaC(P)=DeltaS. In this study, we examined the extent to which these assumptions influence the magnitude of the ideal solubility of lovastatin, and determined that both assumptions underestimate the ideal solubility of lovastatin. The solubility data was used with the calculated ideal solubility to obtain activity coefficients, which were then fitted to the van't Hoff-like regular solution equation. Examination of the plots indicated that both assumptions give erroneous excess enthalpy of solution, H(infinity), and hence thermodynamically inconsistent activity coefficients. The order of increasing ideality, or solubility of lovastatin was butanol>1-propanol>1-pentanol>1-hexanol>1-octanol.

On the analysis of shock implosion

NASA Astrophysics Data System (ADS)

Mishkin, Eli A.; Alejaldre, Carlos

1984-06-01

An imploding shock wave, coming from infinity, moves through an ideal gas with the adiabatic constant γ. To define a single-valued self-similar coefficient λ(γ), over the whole classical interval 1 < γ < ∞, its boundary values λ(1), λ(∞) are deduced. The conservation equations, cast in form of quadratics, exhibit their singular points P,M,M‧. At P the pressure is maximum, at M the velocity of the gas U1, minus ξ, equals the speed of sound C, at M‧ there is a linear relationship between U1, U˙1 and C. The representative curve of the compressed gas passes analytically through all of them. The relative position of P, M, M‧ leads to three solutions of the quadratic conservation equations. Representative curves of the state of the imploded gas, at various values of γ, are shown. The errors associated with the idealized models of implosion and explosion are evaluated.

Computer-Aided TRIZ Ideality and Level of Invention Estimation Using Natural Language Processing and Machine Learning

NASA Astrophysics Data System (ADS)

Adams, Christopher; Tate, Derrick

Patent textual descriptions provide a wealth of information that can be used to understand the underlying design approaches that result in the generation of novel and innovative technology. This article will discuss a new approach for estimating Degree of Ideality and Level of Invention metrics from the theory of inventive problem solving (TRIZ) using patent textual information. Patent text includes information that can be used to model both the functions performed by a design and the associated costs and problems that affect a design’s value. The motivation of this research is to use patent data with calculation of TRIZ metrics to help designers understand which combinations of system components and functions result in creative and innovative design solutions. This article will discuss in detail methods to estimate these TRIZ metrics using natural language processing and machine learning with the use of neural networks.

Analytic Couple Modeling Introducing Device Design Factor, Fin Factor, Thermal Diffusivity Factor, and Inductance Factor

NASA Technical Reports Server (NTRS)

Mackey, Jon; Sehirlioglu, Alp; Dynys, Fred

2014-01-01

A set of convenient thermoelectric device solutions have been derived in order to capture a number of factors which are previously only resolved with numerical techniques. The concise conversion efficiency equations derived from governing equations provide intuitive and straight-forward design guidelines. These guidelines allow for better device design without requiring detailed numerical modeling. The analytical modeling accounts for factors such as i) variable temperature boundary conditions, ii) lateral heat transfer, iii) temperature variable material properties, and iv) transient operation. New dimensionless parameters, similar to the figure of merit, are introduced including the device design factor, fin factor, thermal diffusivity factor, and inductance factor. These new device factors allow for the straight-forward description of phenomenon generally only captured with numerical work otherwise. As an example a device design factor of 0.38, which accounts for thermal resistance of the hot and cold shoes, can be used to calculate a conversion efficiency of 2.28 while the ideal conversion efficiency based on figure of merit alone would be 6.15. Likewise an ideal couple with efficiency of 6.15 will be reduced to 5.33 when lateral heat is accounted for with a fin factor of 1.0.

The Evaluation on the Cadmium Net Concentration for Soil Ecosystems.

PubMed

Yao, Yu; Wang, Pei-Fang; Wang, Chao; Hou, Jun; Miao, Ling-Zhan

2017-03-12

Yixing, known as the "City of Ceramics", is facing a new dilemma: a raw material crisis. Cadmium (Cd) exists in extremely high concentrations in soil due to the considerable input of industrial wastewater into the soil ecosystem. The in situ technique of diffusive gradients in thin film (DGT), the ex situ static equilibrium approach (HAc, EDTA and CaCl2), and the dissolved concentration in soil solution, as well as microwave digestion, were applied to predict the Cd bioavailability of soil, aiming to provide a robust and accurate method for Cd bioavailability evaluation in Yixing. Moreover, the typical local cash crops-paddy and zizania aquatica-were selected for Cd accumulation, aiming to select the ideal plants with tolerance to the soil Cd contamination. The results indicated that the biomasses of the two applied plants were sufficiently sensitive to reflect the stark regional differences of different sampling sites. The zizania aquatica could effectively reduce the total Cd concentration, as indicated by the high accumulation coefficients. However, the fact that the zizania aquatica has extremely high transfer coefficients, and its stem, as the edible part, might accumulate large amounts of Cd, led to the conclusion that zizania aquatica was not an ideal cash crop in Yixing. Furthermore, the labile Cd concentrations which were obtained by the DGT technique and dissolved in the soil solution showed a significant correlation with the Cd concentrations of the biota accumulation. However, the ex situ methods and the microwave digestion-obtained Cd concentrations showed a poor correlation with the accumulated Cd concentration in plant tissue. Correspondingly, the multiple linear regression models were built for fundamental analysis of the performance of different methods available for Cd bioavailability evaluation. The correlation coefficients of DGT obtained by the improved multiple linear regression model have not significantly improved compared to the coefficients obtained by the simple linear regression model. The results revealed that DGT was a robust measurement, which could obtain the labile Cd concentrations independent of the physicochemical features' variation in the soil ecosystem. Consequently, these findings provide stronger evidence that DGT is an effective and ideal tool for labile Cd evaluation in Yixing.

The Evaluation on the Cadmium Net Concentration for Soil Ecosystems

PubMed Central

Yao, Yu; Wang, Pei-Fang; Wang, Chao; Hou, Jun; Miao, Ling-Zhan

2017-01-01

Yixing, known as the “City of Ceramics”, is facing a new dilemma: a raw material crisis. Cadmium (Cd) exists in extremely high concentrations in soil due to the considerable input of industrial wastewater into the soil ecosystem. The in situ technique of diffusive gradients in thin film (DGT), the ex situ static equilibrium approach (HAc, EDTA and CaCl2), and the dissolved concentration in soil solution, as well as microwave digestion, were applied to predict the Cd bioavailability of soil, aiming to provide a robust and accurate method for Cd bioavailability evaluation in Yixing. Moreover, the typical local cash crops—paddy and zizania aquatica—were selected for Cd accumulation, aiming to select the ideal plants with tolerance to the soil Cd contamination. The results indicated that the biomasses of the two applied plants were sufficiently sensitive to reflect the stark regional differences of different sampling sites. The zizania aquatica could effectively reduce the total Cd concentration, as indicated by the high accumulation coefficients. However, the fact that the zizania aquatica has extremely high transfer coefficients, and its stem, as the edible part, might accumulate large amounts of Cd, led to the conclusion that zizania aquatica was not an ideal cash crop in Yixing. Furthermore, the labile Cd concentrations which were obtained by the DGT technique and dissolved in the soil solution showed a significant correlation with the Cd concentrations of the biota accumulation. However, the ex situ methods and the microwave digestion-obtained Cd concentrations showed a poor correlation with the accumulated Cd concentration in plant tissue. Correspondingly, the multiple linear regression models were built for fundamental analysis of the performance of different methods available for Cd bioavailability evaluation. The correlation coefficients of DGT obtained by the improved multiple linear regression model have not significantly improved compared to the coefficients obtained by the simple linear regression model. The results revealed that DGT was a robust measurement, which could obtain the labile Cd concentrations independent of the physicochemical features’ variation in the soil ecosystem. Consequently, these findings provide stronger evidence that DGT is an effective and ideal tool for labile Cd evaluation in Yixing. PMID:28287500

Global Classical Solutions for MHD System

NASA Astrophysics Data System (ADS)

Casella, E.; Secchi, P.; Trebeschi, P.

In this paper we study the equations of magneto-hydrodynamics for a 2D incompressible ideal fluid in the exterior domain and in the half-plane. We prove the existence of a global classical solution in Hölder spaces, by applying Shauder fixed point theorem.

A Computing Method for Sound Propagation Through a Nonuniform Jet Stream

NASA Technical Reports Server (NTRS)

Padula, S. L.; Liu, C. H.

1974-01-01

Understanding the principles of jet noise propagation is an essential ingredient of systematic noise reduction research. High speed computer methods offer a unique potential for dealing with complex real life physical systems whereas analytical solutions are restricted to sophisticated idealized models. The classical formulation of sound propagation through a jet flow was found to be inadequate for computer solutions and a more suitable approach was needed. Previous investigations selected the phase and amplitude of the acoustic pressure as dependent variables requiring the solution of a system of nonlinear algebraic equations. The nonlinearities complicated both the analysis and the computation. A reformulation of the convective wave equation in terms of a new set of dependent variables is developed with a special emphasis on its suitability for numerical solutions on fast computers. The technique is very attractive because the resulting equations are linear in nonwaving variables. The computer solution to such a linear system of algebraic equations may be obtained by well-defined and direct means which are conservative of computer time and storage space. Typical examples are illustrated and computational results are compared with available numerical and experimental data.

Analytical solution describing pesticide volatilization from soil affected by a change in surface condition.

PubMed

Yates, S R

2009-01-01

An analytical solution describing the fate and transport of pesticides applied to soils has been developed. Two pesticide application methods can be simulated: point-source applications, such as idealized shank or a hot-gas injection method, and a more realistic shank-source application method that includes a vertical pesticide distribution in the soil domain due to a soil fracture caused by a shank. The solutions allow determination of the volatilization rate and other information that could be important for understanding fumigant movement and in the development of regulatory permitting conditions. The solutions can be used to characterize differences in emissions relative to changes in the soil degradation rate, surface barrier conditions, application depth, and soil packing. In some cases, simple algebraic expressions are provided that can be used to obtain the total emissions and total soil degradation. The solutions provide a consistent methodology for determining the total emissions and can be used with other information, such as field and laboratory experimental data, to support the development of fumigant regulations. The uses of the models are illustrated by several examples.

A simple formula for the effective complex conductivity of periodic fibrous composites with interfacial impedance and applications to biological tissues

NASA Astrophysics Data System (ADS)

Bisegna, Paolo; Caselli, Federica

2008-06-01

This paper presents a simple analytical expression for the effective complex conductivity of a periodic hexagonal arrangement of conductive circular cylinders embedded in a conductive matrix, with interfaces exhibiting a capacitive impedance. This composite material may be regarded as an idealized model of a biological tissue comprising tubular cells, such as skeletal muscle. The asymptotic homogenization method is adopted, and the corresponding local problem is solved by resorting to Weierstrass elliptic functions. The effectiveness of the present analytical result is proved by convergence analysis and comparison with finite-element solutions and existing models.

Inverse modeling for seawater intrusion in coastal aquifers: Insights about parameter sensitivities, variances, correlations and estimation procedures derived from the Henry problem

USGS Publications Warehouse

Sanz, E.; Voss, C.I.

2006-01-01

Inverse modeling studies employing data collected from the classic Henry seawater intrusion problem give insight into several important aspects of inverse modeling of seawater intrusion problems and effective measurement strategies for estimation of parameters for seawater intrusion. Despite the simplicity of the Henry problem, it embodies the behavior of a typical seawater intrusion situation in a single aquifer. Data collected from the numerical problem solution are employed without added noise in order to focus on the aspects of inverse modeling strategies dictated by the physics of variable-density flow and solute transport during seawater intrusion. Covariances of model parameters that can be estimated are strongly dependent on the physics. The insights gained from this type of analysis may be directly applied to field problems in the presence of data errors, using standard inverse modeling approaches to deal with uncertainty in data. Covariance analysis of the Henry problem indicates that in order to generally reduce variance of parameter estimates, the ideal places to measure pressure are as far away from the coast as possible, at any depth, and the ideal places to measure concentration are near the bottom of the aquifer between the center of the transition zone and its inland fringe. These observations are located in and near high-sensitivity regions of system parameters, which may be identified in a sensitivity analysis with respect to several parameters. However, both the form of error distribution in the observations and the observation weights impact the spatial sensitivity distributions, and different choices for error distributions or weights can result in significantly different regions of high sensitivity. Thus, in order to design effective sampling networks, the error form and weights must be carefully considered. For the Henry problem, permeability and freshwater inflow can be estimated with low estimation variance from only pressure or only concentration observations. Permeability, freshwater inflow, solute molecular diffusivity, and porosity can be estimated with roughly equivalent confidence using observations of only the logarithm of concentration. Furthermore, covariance analysis allows a logical reduction of the number of estimated parameters for ill-posed inverse seawater intrusion problems. Ill-posed problems may exhibit poor estimation convergence, have a non-unique solution, have multiple minima, or require excessive computational effort, and the condition often occurs when estimating too many or co-dependent parameters. For the Henry problem, such analysis allows selection of the two parameters that control system physics from among all possible system parameters. ?? 2005 Elsevier Ltd. All rights reserved.

Terahertz absorption of lysozyme in solution

NASA Astrophysics Data System (ADS)

Martin, Daniel R.; Matyushov, Dmitry V.

2017-08-01

Absorption of radiation by solution is described by its frequency-dependent dielectric function and can be viewed as a specific application of the dielectric theory of solutions. For ideal solutions, the dielectric boundary-value problem separates the polar response into the polarization of the void in the liquid, created by the solute, and the response of the solute dipole. In the case of a protein as a solute, protein nuclear dynamics do not project on significant fluctuations of the dipole moment in the terahertz domain of frequencies and the protein dipole can be viewed as dynamically frozen. Absorption of radiation then reflects the interfacial polarization. Here we apply an analytical theory and computer simulations to absorption of radiation by an ideal solution of lysozyme. Comparison with the experiment shows that Maxwell electrostatics fails to describe the polarization of the protein-water interface and the "Lorentz void," which does not anticipate polarization of the interface by the external field (no surface charges), better represents the data. An analytical theory for the slope of the solution absorption against the volume fraction of the solute is formulated in terms of the cavity field response function. It is calculated from molecular dynamics simulations in good agreement with the experiment. The protein hydration shell emerges as a separate sub-ensemble, which, collectively, is not described by the standard electrostatics of dielectrics.

Design and Navier-Stokes analysis of hypersonic wind tunnel nozzles. M.S. Thesis

NASA Technical Reports Server (NTRS)

Benton, James R.

1989-01-01

Four hypersonic wind tunnel nozzles ranging in Mach number from 6 to 17 are designed with the method of characteristics and boundary layer approach (MOC/BL) and analyzed with a Navier-Stokes solver. Limitations of the MOC/BL approach when applied to thick high speed boundary layers with non-zero normal pressure gradients are investigated. Working gases include ideal air, thermally perfect nitrogen and virial CF4. Agreement between the design conditions and Navier-Stokes solutions for ideal air at Mach 6 is good. Thermally perfect nitrogen showed poor agreement at Mach 13.5 and Mach 17. Navier-Stokes solutions for CF4 are not obtained, but comparison of the effects of low gamma to those of high Mach number suggests that the Navier-Stokes solution would not compare well with design.

A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models

NASA Technical Reports Server (NTRS)

Luo, Li-Shi

1998-01-01

A non-ideal gas lattice Boltzmann model is directly derived, in an a priori fashion, from the Enskog equation for dense gases. The model is rigorously obtained by a systematic procedure to discretize the Enskog equation (in the presence of an external force) in both phase space and time. The lattice Boltzmann model derived here is thermodynamically consistent and is free of the defects which exist in previous lattice Boltzmann models for non-ideal gases. The existing lattice Boltzmann models for non-ideal gases are analyzed and compared with the model derived here.

Experimental study of the thermal-acoustic efficiency in a long turbulent diffusion-flame burner

NASA Technical Reports Server (NTRS)

Mahan, J. R.

1983-01-01

An acoustic source/propagation model is used to interpret measured noise spectra from a long turbulent burner. The acoustic model is based on the perturbation solution of the equations describing the unsteady one-dimensional flow of an inviscid ideal gas with a distributed heat source. The model assumes that the measured noise spectra are due uniquely to the unsteady component of combustion heat release. The model was applied to a long cylindrical hydrogen burner operating over a range of power levels between 4.5 kW and 22.3 kW. Acoustic impedances at the inlet to the burner and at the exit of the tube downstream of the burner were measured and are used as boundary conditions for the model. These measured impedances are also presented.

Multifunctional Collaborative Modeling and Analysis Methods in Engineering Science

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.; Broduer, Steve (Technical Monitor)

2001-01-01

Engineers are challenged to produce better designs in less time and for less cost. Hence, to investigate novel and revolutionary design concepts, accurate, high-fidelity results must be assimilated rapidly into the design, analysis, and simulation process. This assimilation should consider diverse mathematical modeling and multi-discipline interactions necessitated by concepts exploiting advanced materials and structures. Integrated high-fidelity methods with diverse engineering applications provide the enabling technologies to assimilate these high-fidelity, multi-disciplinary results rapidly at an early stage in the design. These integrated methods must be multifunctional, collaborative, and applicable to the general field of engineering science and mechanics. Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple-method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized. The multifunctional methodology presented provides an effective mechanism by which domains with diverse idealizations are interfaced. This capability rapidly provides the high-fidelity results needed in the early design phase. Moreover, the capability is applicable to the general field of engineering science and mechanics. Hence, it provides a collaborative capability that accounts for interactions among engineering analysis methods.

Secondary organic aerosol formation through cloud processing of aromatic VOCs

NASA Astrophysics Data System (ADS)

Herckes, P.; Hutchings, J. W.; Ervens, B.

2010-12-01

Field observations have shown substantial concentrations (20-5,500 ng L-1) of aromatic volatile organic compounds (VOC) in cloud droplets. The potential generation of secondary organic aerosol mass through the processing of these anthropogenic VOCs was investigated through laboratory and modeling studies. Under simulated atmospheric laboratory conditions, in idealized solutions, benzene, toluene, ethylbenzene, and xylene (BTEX) degraded quickly in the aqueous phase. The degradation process yielded less volatile products which would contribute to new aerosol mass upon cloud evaporation. However, when realistic cloud solutions containing natural organic matter were used in the experiments, the reaction rates decreased with increasing organic carbon content. Kinetic data derived from these experiments were used as input to a multiphase box model in order to evaluate the secondary organic aerosol (SOA) mass formation potential of cloud processing of BTEX. Model results will be presented that quantify the SOA amounts from these aqueous phase pathways. The efficiency of this multiphase SOA source will be compared to SOA yields from the same aromatics as treated in traditional SOA models that are restricted to gas phase oxidation and subsequent condensation on particles.

BADGER v1.0: A Fortran equation of state library

NASA Astrophysics Data System (ADS)

Heltemes, T. A.; Moses, G. A.

2012-12-01

The BADGER equation of state library was developed to enable inertial confinement fusion plasma codes to more accurately model plasmas in the high-density, low-temperature regime. The code had the capability to calculate 1- and 2-T plasmas using the Thomas-Fermi model and an individual electron accounting model. Ion equation of state data can be calculated using an ideal gas model or via a quotidian equation of state with scaled binding energies. Electron equation of state data can be calculated via the ideal gas model or with an adaptation of the screened hydrogenic model with ℓ-splitting. The ionization and equation of state calculations can be done in local thermodynamic equilibrium or in a non-LTE mode using a variant of the Busquet equivalent temperature method. The code was written as a stand-alone Fortran library for ease of implementation by external codes. EOS results for aluminum are presented that show good agreement with the SESAME library and ionization calculations show good agreement with the FLYCHK code. Program summaryProgram title: BADGERLIB v1.0 Catalogue identifier: AEND_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEND_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 41 480 No. of bytes in distributed program, including test data, etc.: 2 904 451 Distribution format: tar.gz Programming language: Fortran 90. Computer: 32- or 64-bit PC, or Mac. Operating system: Windows, Linux, MacOS X. RAM: 249.496 kB plus 195.630 kB per isotope record in memory Classification: 19.1, 19.7. Nature of problem: Equation of State (EOS) calculations are necessary for the accurate simulation of high energy density plasmas. Historically, most EOS codes used in these simulations have relied on an ideal gas model. This model is inadequate for low-temperature, high-density plasma conditions; the gaseous and liquid phases; and the solid phase. The BADGER code was developed to give more realistic EOS data in these regimes. Solution method: BADGER has multiple, user-selectable models to treat the ions, average-atom ionization state and electrons. Ion models are ideal gas and quotidian equation of state (QEOS), ionization models are Thomas-Fermi and individual accounting method (IEM) formulation of the screened hydrogenic model (SHM) with l-splitting, electron ionization models are ideal gas and a Helmholtz free energy minimization method derived from the SHM. The default equation of state and ionization models are appropriate for plasmas in local thermodynamic equilibrium (LTE). The code can calculate non-LTE equation of state (EOS) and ionization data using a simplified form of the Busquet equivalent-temperature method. Restrictions: Physical data are only provided for elements Z=1 to Z=86. Multiple solid phases are not currently supported. Liquid, gas and plasma phases are combined into a generalized "fluid" phase. Unusual features: BADGER divorces the calculation of average-atom ionization from the electron equation of state model, allowing the user to select ionization and electron EOS models that are most appropriate to the simulation. The included ion ideal gas model uses ground-state nuclear spin data to differentiate between isotopes of a given element. Running time: Example provided only takes a few seconds to run.

A viscoelastic fluid-structure interaction model for carotid arteries under pulsatile flow.

PubMed

Wang, Zhongjie; Wood, Nigel B; Xu, Xiao Yun

2015-05-01

In this study, a fluid-structure interaction model (FSI) incorporating viscoelastic wall behaviour is developed and applied to an idealized model of the carotid artery under pulsatile flow. The shear and bulk moduli of the arterial wall are described by Prony series, where the parameters can be derived from in vivo measurements. The aim is to develop a fully coupled FSI model that can be applied to realistic arterial geometries with normal or pathological viscoelastic wall behaviour. Comparisons between the numerical and analytical solutions for wall displacements demonstrate that the coupled model is capable of predicting the viscoelastic behaviour of carotid arteries. Comparisons are also made between the solid only and FSI viscoelastic models, and the results suggest that the difference in radial displacement between the two models is negligible. Copyright © 2015 John Wiley & Sons, Ltd.

Electromagnetism; Problems and solutions

NASA Astrophysics Data System (ADS)

Ilie, Carolina C.; Schrecengost, Zachariah S.

2016-11-01

Electromagnetism: Problems and solutions is an ideal companion book for the undergraduate student-sophomore, junior, or senior-who may want to work on more problems and receive immediate feedback while studying. Each chapter contains brief theoretical notes followed by the problem text with the solution and ends with a brief bibliography. Also presented are problems more general in nature, which may be a bit more challenging.

Adsorption of the compounds encountered in monosaccharide dehydration in zeolite beta.

PubMed

León, Marta; Swift, T Dallas; Nikolakis, Vladimiros; Vlachos, Dionisios G

2013-06-04

A comprehensive study of the adsorption of the compounds involved in the reaction of dehydration of fructose to 5-hydroxymethyl furfural (HMF) on the zeolite H-BEA with SiO2/Al2O3 = 18 has been carried out. Furthermore, a method for the estimation of the real adsorption loading from the experimentally measured excess adsorption is developed and applied to calculate the adsorption isotherms both in the case of single-solute and multisolute mixtures. It was found that zeolite H-BEA adsorbs HMF and levulinic acid from water mixtures to greater extent than sugars and formic acid, which prefer to partition in the aqueous phase. HMF and levulinic acid adsorption isotherms could be fitted in a Redlich-Peterson isotherm model, while the adsorption of formic acid is better fitted using the Freundlich model and sugars via the Henry model. Adsorption loadings decreased with increasing temperature (0, 25, and 40 °C), which is characteristic of an exothermic process. From the temperature dependence of the isotherms, the limiting heat of adsorption at zero coverage was determined using van't Hoff equation. Given the importance and the complexity of multicomponent systems, several experiments of adsorption of multisolute solutions have been carried out. In most of the cases, the ideal adsorbed solution theory (IAST) has been proven to satisfactorily predict adsorption from multisolute mixtures using as input the single-solute isotherms.

An approximate JKR solution for a general contact, including rough contacts

NASA Astrophysics Data System (ADS)

Ciavarella, M.

2018-05-01

In the present note, we suggest a simple closed form approximate solution to the adhesive contact problem under the so-called JKR regime. The derivation is based on generalizing the original JKR energetic derivation assuming calculation of the strain energy in adhesiveless contact, and unloading at constant contact area. The underlying assumption is that the contact area distributions are the same as under adhesiveless conditions (for an appropriately increased normal load), so that in general the stress intensity factors will not be exactly equal at all contact edges. The solution is simply that the indentation is δ =δ1 -√{ 2 wA‧ /P″ } where w is surface energy, δ1 is the adhesiveless indentation, A‧ is the first derivative of contact area and P‧‧ the second derivative of the load with respect to δ1. The solution only requires macroscopic quantities, and not very elaborate local distributions, and is exact in many configurations like axisymmetric contacts, but also sinusoidal waves contact and correctly predicts some features of an ideal asperity model used as a test case and not as a real description of a rough contact problem. The solution permits therefore an estimate of the full solution for elastic rough solids with Gaussian multiple scales of roughness, which so far was lacking, using known adhesiveless simple results. The result turns out to depend only on rms amplitude and slopes of the surface, and as in the fractal limit, slopes would grow without limit, tends to the adhesiveless result - although in this limit the JKR model is inappropriate. The solution would also go to adhesiveless result for large rms amplitude of roughness hrms, irrespective of the small scale details, and in agreement with common sense, well known experiments and previous models by the author.

Rotordynamic forces in labyrinth seals: Theory and experiment

NASA Technical Reports Server (NTRS)

Millsaps, Knox T.; Martinez-Sanchez, Manuel

1994-01-01

A theoretical and experimental investigation of the aerodynamic forces generated by a single gland labyrinth seal executing a simultaneous spinning/whirling motion has been conducted. A lumped parameter model for a single gland seal with coupling to an upstream cavity with leakage is developed along with an appropriate solution technique. From this theory, it is shown that the presence of the upstream cavity can, in some cases, augment the cross-stiffness and direct damping by a factor of four. The parameters that govern the coupling are presented along with predictions on their influence. A simple uncoupled model is used to identify the mechanisms responsible for cross force generation. This reduced system is nondimensionalized and the physical significance of the reduced parameters is discussed. Closed form algebraic formulas are given for some simple limiting cases. It is also shown that the total cross-force predicted by the uncoupled model can be represented as the sum of an ideal component due to an inviscid flow with entry swirl and a viscous part due to the change in swirl created by friction inside the gland. The frequency dependent ideal part is solely responsible for the rotordynamic direct damping. The facility designed and built to measure these frequency dependent forces is described. Experimental data confirm the validity and usefulness of this ideal/viscous decomposition. A method for calculating the damping coefficients based on the force decomposition using only the static measurements is presented. Experimental results supporting the predicted cross force augmentation due to the effect of upstream coupling are presented.

Finite Element Modeling of a Cylindrical Contact Using Hertzian Assumptions

NASA Technical Reports Server (NTRS)

Knudsen, Erik

2003-01-01

The turbine blades in the high-pressure fuel turbopump/alternate turbopump (HPFTP/AT) are subjected to hot gases rapidly flowing around them. This flow excites vibrations in the blades. Naturally, one has to worry about resonance, so a damping device was added to dissipate some energy from the system. The foundation is now laid for a very complex problem. The damper is in contact with the blade, so now there are contact stresses (both normal and tangential) to contend with. Since these stresses can be very high, it is not all that difficult to yield the material. Friction is another non-linearity and the blade is made out of a Nickel-based single-crystal superalloy that is orthotropic. A few approaches exist to solve such a problem and computer models, using contact elements, have been built with friction, plasticity, etc. These models are quite cumbersome and require many hours to solve just one load case and material orientation. A simpler approach is required. Ideally, the model should be simplified so the analysis can be conducted faster. When working with contact problems determining the contact patch and the stresses in the material are the main concerns. Closed-form solutions for non-conforming bodies, developed by Hertz, made out of isotropic materials are readily available. More involved solutions for 3-D cases using different materials are also available. The question is this: can Hertzian1 solutions be applied, or superimposed, to more complicated problems-like those involving anisotropic materials? That is the point of the investigation here. If these results agree with the more complicated computer models, then the analytical solutions can be used in lieu of the numerical solutions that take a very long time to process. As time goes on, the analytical solution will eventually have to include things like friction and plasticity. The models in this report use no contact elements and are essentially an applied load problem using Hertzian assumptions to determine the contact patch dimensions.

On the distinction between large deformation and large distortion for anisotropic materials

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

BRANNON,REBECCA M.

2000-02-24

A motion involves large distortion if the ratios of principal stretches differ significantly from unity. A motion involves large deformation if the deformation gradient tensor is significantly different from the identity. Unfortunately, rigid rotation fits the definition of large deformation, and models that claim to be valid for large deformation are often inadequate for large distortion. An exact solution for the stress in an idealized fiber-reinforced composite is used to show that conventional large deformation representations for transverse isotropy give errant results. Possible alternative approaches are discussed.

A class of nonideal solutions. 1: Definition and properties

NASA Technical Reports Server (NTRS)

Zeleznik, F. J.

1983-01-01

A class of nonideal solutions is defined by constructing a function to represent the composition dependence of thermodynamic properties for members of the class, and some properties of these solutions are studied. The constructed function has several useful features: (1) its parameters occur linearly; (2) it contains a logarithmic singularity in the dilute solution region and contains ideal solutions and regular solutions as special cases; and (3) it is applicable to N-ary systems and reduces to M-ary systems (M or = N) in a form-invariant manner.

Mechanical and electrochemical response of a LiCoO 2 cathode using reconstructed microstructures

DOE PAGES

Mendoza, Hector; Roberts, Scott Alan; Brunini, Victor; ...

2016-01-01

As LiCoO 2 cathodes are charged, delithiation of the LiCoO 2 active material leads to an increase in the lattice spacing, causing swelling of the particles. When these particles are packed into a bicontinuous, percolated network, as is the case in a battery electrode, this swelling leads to the generation of significant mechanical stress. In this study we performed coupled electrochemical-mechanical simulations of the charging of a LiCoO 2 cathode in order to elucidate the mechanisms of stress generation and the effect of charge rate and microstructure on these stresses. Energy dispersive spectroscopy combined with scanning electron microscopy imaging wasmore » used to create 3D reconstructions of a LiCoO 2 cathode, and the Conformal Decomposition Finite Element Method is used to automatically generate computational meshes on this reconstructed microstructure. Replacement of the ideal solution Fickian diffusion model, typically used in battery simulations, with a more general non-ideal solution model shows substantially smaller gradients of lithium within particles than is typically observed in the literature. Using this more general model, lithium gradients only appear at states of charge where the open-circuit voltage is relatively constant. While lithium gradients do affect the mechanical stress state in the particles, the maximum stresses are always found in the fully-charged state and are strongly affected by the local details of the microstructure and particle-to-particle contacts. These coupled electrochemical-mechanical simulations begin to yield insight into the partitioning of volume change between reducing pore space and macroscopically swelling the electrode. Lastly, preliminary studies that include the presence of the polymeric binder suggest that it can greatly impact stress generation and that it is an important area for future research.« less

The iFlow modelling framework v2.4: a modular idealized process-based model for flow and transport in estuaries

NASA Astrophysics Data System (ADS)

Dijkstra, Yoeri M.; Brouwer, Ronald L.; Schuttelaars, Henk M.; Schramkowski, George P.

2017-07-01

The iFlow modelling framework is a width-averaged model for the systematic analysis of the water motion and sediment transport processes in estuaries and tidal rivers. The distinctive solution method, a mathematical perturbation method, used in the model allows for identification of the effect of individual physical processes on the water motion and sediment transport and study of the sensitivity of these processes to model parameters. This distinction between processes provides a unique tool for interpreting and explaining hydrodynamic interactions and sediment trapping. iFlow also includes a large number of options to configure the model geometry and multiple choices of turbulence and salinity models. Additionally, the model contains auxiliary components, including one that facilitates easy and fast sensitivity studies. iFlow has a modular structure, which makes it easy to include, exclude or change individual model components, called modules. Depending on the required functionality for the application at hand, modules can be selected to construct anything from very simple quasi-linear models to rather complex models involving multiple non-linear interactions. This way, the model complexity can be adjusted to the application. Once the modules containing the required functionality are selected, the underlying model structure automatically ensures modules are called in the correct order. The model inserts iteration loops over groups of modules that are mutually dependent. iFlow also ensures a smooth coupling of modules using analytical and numerical solution methods. This way the model combines the speed and accuracy of analytical solutions with the versatility of numerical solution methods. In this paper we present the modular structure, solution method and two examples of the use of iFlow. In the examples we present two case studies, of the Yangtze and Scheldt rivers, demonstrating how iFlow facilitates the analysis of model results, the understanding of the underlying physics and the testing of parameter sensitivity. A comparison of the model results to measurements shows a good qualitative agreement. iFlow is written in Python and is available as open source code under the LGPL license.

A new family of Ln₇ clusters with an ideal D(3h) metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.

PubMed

Mazarakioti, Eleni C; Poole, Katye M; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C

2014-08-14

The first use of the flexible Schiff base ligand N-salicylidene-2-aminocyclohexanol in metal cluster chemistry has afforded a new family of Ln7 clusters with ideal D(3h) point group symmetry and metal-centered trigonal prismatic topology; solid-state and solution studies revealed SMM and photoluminescence behaviors.

Finite-Difference Solution for Laminar or Turbulent Boundary Layer Flow over Axisymmetric Bodies with Ideal Gas, CF4, or Equilibrium Air Chemistry

NASA Technical Reports Server (NTRS)

Hamilton, H. Harris, II; Millman, Daniel R.; Greendyke, Robert B.

1992-01-01

A computer code was developed that uses an implicit finite-difference technique to solve nonsimilar, axisymmetric boundary layer equations for both laminar and turbulent flow. The code can treat ideal gases, air in chemical equilibrium, and carbon tetrafluoride (CF4), which is a useful gas for hypersonic blunt-body simulations. This is the only known boundary layer code that can treat CF4. Comparisons with experimental data have demonstrated that accurate solutions are obtained. The method should prove useful as an analysis tool for comparing calculations with wind tunnel experiments and for making calculations about flight vehicles where equilibrium air chemistry assumptions are valid.

Finite-difference solution for laminar or turbulent boundary layer flow over axisymmetric bodies with ideal gas, CF4, or equilibrium air chemistry

NASA Astrophysics Data System (ADS)

Hamilton, H. Harris, II; Millman, Daniel R.; Greendyke, Robert B.

1992-12-01

A computer code was developed that uses an implicit finite-difference technique to solve nonsimilar, axisymmetric boundary layer equations for both laminar and turbulent flow. The code can treat ideal gases, air in chemical equilibrium, and carbon tetrafluoride (CF4), which is a useful gas for hypersonic blunt-body simulations. This is the only known boundary layer code that can treat CF4. Comparisons with experimental data have demonstrated that accurate solutions are obtained. The method should prove useful as an analysis tool for comparing calculations with wind tunnel experiments and for making calculations about flight vehicles where equilibrium air chemistry assumptions are valid.

Interferograms, schlieren, and shadowgraphs constructed from real- and ideal-gas, two- and three-dimensional computed flowfields

NASA Technical Reports Server (NTRS)

Yates, Leslie A.

1993-01-01

The construction of interferograms, schlieren, and shadowgraphs from computed flowfield solutions permits one-to-one comparisons of computed and experimental results. A method of constructing these images from both ideal- and real-gas, two and three-dimensional computed flowfields is described. The computational grids can be structured or unstructured, and multiple grids are an option. Constructed images are shown for several types of computed flows including nozzle, wake, and reacting flows; comparisons to experimental images are also shown. In addition, th sensitivity of these images to errors in the flowfield solution is demonstrated, and the constructed images can be used to identify problem areas in the computations.

Interferograms, Schlieren, and Shadowgraphs Constructed from Real- and Ideal-Gas, Two- and Three-Dimensional Computed Flowfields

NASA Technical Reports Server (NTRS)

Yates, Leslie A.

1992-01-01

The construction of interferograms, schlieren, and shadowgraphs from computed flowfield solutions permits one-to-one comparisons of computed and experimental results. A method for constructing these images from both ideal- and real-gas, two- and three-dimensional computed flowfields is described. The computational grids can be structured or unstructured, and multiple grids are an option. Constructed images are shown for several types of computed flows including nozzle, wake, and reacting flows; comparisons to experimental images are also shown. In addition, the sensitivity of these images to errors in the flowfield solution is demonstrated, and the constructed images can be used to identify problem areas in the computations.

A new relativistic viscous hydrodynamics code and its application to the Kelvin-Helmholtz instability in high-energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Okamoto, Kazuhisa; Nonaka, Chiho

2017-06-01

We construct a new relativistic viscous hydrodynamics code optimized in the Milne coordinates. We split the conservation equations into an ideal part and a viscous part, using the Strang spitting method. In the code a Riemann solver based on the two-shock approximation is utilized for the ideal part and the Piecewise Exact Solution (PES) method is applied for the viscous part. We check the validity of our numerical calculations by comparing analytical solutions, the viscous Bjorken's flow and the Israel-Stewart theory in Gubser flow regime. Using the code, we discuss possible development of the Kelvin-Helmholtz instability in high-energy heavy-ion collisions.

Computational-hydrodynamic studies of the Noh compressible flow problem using non-ideal equations of state

NASA Astrophysics Data System (ADS)

Honnell, Kevin; Burnett, Sarah; Yorke, Chloe'; Howard, April; Ramsey, Scott

2017-06-01

The Noh problem is classic verification problem in the field of compressible flows. Simple to conceptualize, it is nonetheless difficult for numerical codes to predict correctly, making it an ideal code-verification test bed. In its original incarnation, the fluid is a simple ideal gas; once validated, however, these codes are often used to study highly non-ideal fluids and solids. In this work the classic Noh problem is extended beyond the commonly-studied polytropic ideal gas to more realistic equations of state (EOS) including the stiff gas, the Nobel-Abel gas, and the Carnahan-Starling hard-sphere fluid, thus enabling verification studies to be performed on more physically-realistic fluids. Exact solutions are compared with numerical results obtained from the Lagrangian hydrocode FLAG, developed at Los Alamos. For these more realistic EOSs, the simulation errors decreased in magnitude both at the origin and at the shock, but also spread more broadly about these points compared to the ideal EOS. The overall spatial convergence rate remained first order.

User's guide to PHREEQC (Version 2) : a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations

USGS Publications Warehouse

Parkhurst, David L.; Appelo, C.A.J.

1999-01-01

PHREEQC version 2 is a computer program written in the C programming language that is designed to perform a wide variety of low-temperature aqueous geochemical calculations. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations involving reversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and irreversible reactions, which include specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters, within specified compositional uncertainty limits.New features in PHREEQC version 2 relative to version 1 include capabilities to simulate dispersion (or diffusion) and stagnant zones in 1D-transport calculations, to model kinetic reactions with user-defined rate expressions, to model the formation or dissolution of ideal, multicomponent or nonideal, binary solid solutions, to model fixed-volume gas phases in addition to fixed-pressure gas phases, to allow the number of surface or exchange sites to vary with the dissolution or precipitation of minerals or kinetic reactants, to include isotope mole balances in inverse modeling calculations, to automatically use multiple sets of convergence parameters, to print user-defined quantities to the primary output file and (or) to a file suitable for importation into a spreadsheet, and to define solution compositions in a format more compatible with spreadsheet programs. This report presents the equations that are the basis for chemical equilibrium, kinetic, transport, and inverse-modeling calculations in PHREEQC; describes the input for the program; and presents examples that demonstrate most of the program's capabilities.

Converging shock flows for a Mie-Grüneisen equation of state

NASA Astrophysics Data System (ADS)

Ramsey, Scott D.; Schmidt, Emma M.; Boyd, Zachary M.; Lilieholm, Jennifer F.; Baty, Roy S.

2018-04-01

Previous work has shown that the one-dimensional (1D) inviscid compressible flow (Euler) equations admit a wide variety of scale-invariant solutions (including the famous Noh, Sedov, and Guderley shock solutions) when the included equation of state (EOS) closure model assumes a certain scale-invariant form. However, this scale-invariant EOS class does not include even simple models used for shock compression of crystalline solids, including many broadly applicable representations of Mie-Grüneisen EOS. Intuitively, this incompatibility naturally arises from the presence of multiple dimensional scales in the Mie-Grüneisen EOS, which are otherwise absent from scale-invariant models that feature only dimensionless parameters (such as the adiabatic index in the ideal gas EOS). The current work extends previous efforts intended to rectify this inconsistency, by using a scale-invariant EOS model to approximate a Mie-Grüneisen EOS form. To this end, the adiabatic bulk modulus for the Mie-Grüneisen EOS is constructed, and its key features are used to motivate the selection of a scale-invariant approximation form. The remaining surrogate model parameters are selected through enforcement of the Rankine-Hugoniot jump conditions for an infinitely strong shock in a Mie-Grüneisen material. Finally, the approximate EOS is used in conjunction with the 1D inviscid Euler equations to calculate a semi-analytical Guderley-like imploding shock solution in a metal sphere and to determine if and when the solution may be valid for the underlying Mie-Grüneisen EOS.

Analytical Phase Equilibrium Function for Mixtures Obeying Raoult's and Henry's Laws

NASA Astrophysics Data System (ADS)

Hayes, Robert

When a mixture of two substances exists in both the liquid and gas phase at equilibrium, Raoults and Henry's laws (ideal solution and ideal dilute solution approximations) can be used to estimate the gas and liquid mole fractions at the extremes of either very little solute or solvent. By assuming that a cubic polynomial can reasonably approximate the intermediate values to these extremes as a function of mole fraction, the cubic polynomial is solved and presented. A closed form equation approximating the pressure dependence on mole fraction of the constituents is thereby obtained. As a first approximation, this is a very simple and potentially useful means to estimate gas and liquid mole fractions of equilibrium mixtures. Mixtures with an azeotrope require additional attention if this type of approach is to be utilized. This work supported in part by federal Grant NRC-HQ-84-14-G-0059.

Induced drag ideal efficiency factor of arbitrary lateral-vertical wing forms

NASA Technical Reports Server (NTRS)

Deyoung, J.

1980-01-01

A relatively simple equation is presented for estimating the induced drag ideal efficiency factor e for arbitrary cross sectional wing forms. This equation is based on eight basic but varied wing configurations which have exact solutions. The e function which relates the basic wings is developed statistically and is a continuous function of configuration geometry. The basic wing configurations include boxwings shaped as a rectangle, ellipse, and diamond; the V-wing; end-plate wing; 90 degree cruciform; circle dumbbell; and biplane. Example applications of the e equations are made to many wing forms such as wings with struts which form partial span rectangle dumbbell wings; bowtie, cruciform, winglet, and fan wings; and multiwings. Derivations are presented in the appendices of exact closed form solutions found of e for the V-wing and 90 degree cruciform wing and for an asymptotic solution for multiwings.

A model for optimizing delivery of targeted radionuclide therapies into resection cavity margins for the treatment of primary brain cancers.

PubMed

Raghavan, Raghu; Howell, Roger W; Zalutsky, Michael R

2017-06-01

Radionuclides conjugated to molecules that bind specifically to cancer cells are of great interest as a means to increase the specificity of radiotherapy. Currently, the methods to disseminate these targeted radiotherapeutics have been either systemic delivery or by bolus injection into the tumor or tumor resection cavity. Herein we model a potentially more efficient method of delivery, namely pressure-driven fluid flow, called convection-enhanced delivery (CED), where a device infuses the molecules in solution (or suspension) directly into the tissue of interest. In particular, we focus on the setting of primary brain cancer after debulking surgery, where the tissue margins surrounding the surgical resection cavity are infiltrated with tumor cells and the most frequent sites of tumor recurrence. We develop the combination of fluid flow, chemical kinetics, and radiation dose models needed to examine such protocols. We focus on Auger electron-emitting radionuclides (e.g. 67 Ga, 77 Br, 111 In, 125 I, 123 I, 193m Pt, 195m Pt) whose short range makes them ideal for targeted therapy in this setting of small foci of tumor spread within normal tissue. By solving these model equations, we confirm that a CED protocol is promising in allowing sufficient absorbed dose to destroy cancer cells with minimal absorbed dose to normal cells at clinically feasible activity levels. We also show that Auger emitters are ideal for this purpose while the longer range alpha particle emitters fail to meet criteria for effective therapy (as neither would energetic beta particle emitters). The model is used with simplified assumptions on the geometry and homogeneity of brain tissue to allow semi-analytic solutions to be displayed, and with the purpose of a first examination of this new delivery protocol proposed for radionuclide therapy. However, we emphasize that it is immediately extensible to personalized therapy treatment planning as we have previously shown for conventional CED, at the price of requiring a fully numerical computerized approach.

The Unusual Colour of Copper Deposited on a Graphite Electrode in an Aqueous Solution of CuSO[subscript 4

ERIC Educational Resources Information Center

Petrusevski, Vladimir M.; Stojanovska, Marina

2010-01-01

The colour of the copper layer deposited on a graphite electrode during electrolysis of an aqueous solution of copper(II) sulfate looks whitish-grey when inspected in situ. Taking the electrode out of the solution reveals the familiar orange-red colour of deposited copper. The explanation is found in terms of the almost ideal complementary colours…

Predictors of satisfaction in geographically close and long-distance relationships.

PubMed

Lee, Ji-yeon; Pistole, M Carole

2012-04-01

In this study, the authors examined geographically close (GCRs) and long-distance (LDRs) romantic relationship satisfaction as explained by insecure attachment, self-disclosure, gossip, and idealization. After college student participants (N = 536) completed a Web survey, structural equation modeling (SEM) multigroup analysis revealed that the GCR and LDR models were nonequivalent, as expected. Self-disclosure mediated the insecure attachment-idealization path differently in GCRs and in LDRs. Self-disclosure was positively associated with idealization in GCRs and negatively associated with idealization in LDRs, with the insecure attachment-idealization and the insecure attachment-satisfaction paths negative for both GCRs and LDRs. Furthermore, the insecure attachment-idealization path was stronger than the mediated path, especially for LDRs; the insecure attachment-satisfaction path was stronger than the mediation model for GCRs and LDRs. In other words, the GCR and LDR models differed despite some similarities. For both, with higher insecure (i.e., anxious and avoidant) attachment, the person discloses less to the partner, idealizes the partner less, and is less satisfied with the relationship. Also, people who idealize are more satisfied. In contrast, in LDRs only, with higher insecure attachment, the people tend to gossip more. With higher insecure attachment and with higher self-disclosure, people idealize more in GCRs but idealize less in LDRs. Overall, attachment insecurity explained more idealization and satisfaction in LDRs than in GCRs. Implications are discussed.

Results from the OH-PT model: a Kinetic-MHD Model of the Outer Heliosphere within SWMF

NASA Astrophysics Data System (ADS)

Michael, A.; Opher, M.; Tenishev, V.; Borovikov, D.; Toth, G.

2017-12-01

We present an update of the OH-PT model, a kinetic-MHD model of the outer heliosphere. The OH-PT model couples the Outer Heliosphere (OH) and Particle Tracker (PT) components within the Space Weather Modeling Framework (SWMF). The OH component utilizes the Block-Adaptive Tree Solarwind Roe-type Upwind Scheme (BATS-R-US) MHD code, a highly parallel, 3D, and block-adaptive solver. As a stand-alone model, the OH component solves the ideal MHD equations for the plasma and a separate set of Euler's equations for the different populations of neutral atoms. The neutrals and plasma in the outer heliosphere are coupled through charge-exchange. While this provides an accurate solution for the plasma, it is an inaccurate description of the neutrals. The charge-exchange mean free path is on the order of the size of the heliosphere; therefore the neutrals cannot be described as a fluid. The PT component is based on the Adaptive Mesh Particle Simulator (AMPS) model, a 3D, direct simulation Monte Carlo model that solves the Boltzmann equation for the motion and interaction of multi-species plasma and is used to model the neutral distribution functions throughout the domain. The charge-exchange process occurs within AMPS, which handles each event on a particle-by-particle basis and calculates the resulting source terms to the MHD equations. The OH-PT model combines the MHD solution for the plasma with the kinetic solution for the neutrals to form a self-consistent model of the heliosphere. In this work, we present verification and validation of the model as well as demonstrate the codes capabilities. Furthermore we provide a comparison of the OH-PT model to our multi-fluid approximation and detail the differences between the models in both the plasma solution and neutral distribution functions.

The Novel Preparation of P-N Junction Mesa Diodes by Silicon-Wafer Direct Bonding (SDB)

NASA Astrophysics Data System (ADS)

Yeh, Ching-Fa; Hwangleu, Shyang

1992-05-01

The key processes of silicon-wafer direct bonding (SDB), including hydrophilic surface formation and optimal two-step heat treatment, have been developed However, H2SO4/H2O2 solution being a strong oxidized acid solution, native oxide is found to have grown on the wafer surface as soon as a wafer is treated in this solution. In the case of a wafer further treated in diluted HF solution after hydrophilic surface formation, it is shown that the wafer surface can not only be cleaned of its native oxide but also remains hydrophilic, and can provide excellent voidless bonding. The N+/P and N/P combination junction mesa diodes fabricated on the wafers prepared by these novel SDB technologies are examined. The ideality factor n of the N/P mesa diode is 2.4˜2.8 for the voltage range 0.2˜0.3 V; hence, the lowering of the ideality factor n is evidently achieved. As for the N+/P mesa diode, the ideality factor n shows a value of 1.10˜1.30 for the voltage range 0.2˜0.6 V; the low value of n is attributed to an autodoping phenomenon which has caused the junction interface to form in the P-silicon bulk. However, the fact that the sustaining voltage of the N/P mesa diode showed a value greater than 520 V reveals the effectiveness of our novel SDB processes.

New generalized Noh solutions for HEDP hydrocode verification

NASA Astrophysics Data System (ADS)

Velikovich, A. L.; Giuliani, J. L.; Zalesak, S. T.; Tangri, V.

2017-10-01

The classic Noh solution describing stagnation of a cold ideal gas in a strong accretion shock wave has been the workhorse of compressible hydrocode verification for over three decades. We describe a number of its generalizations available for HEDP code verification. First, for an ideal gas, we have obtained self-similar solutions that describe adiabatic convergence either of a finite-pressure gas into an empty cavity or of a finite-amplitude sound wave into a uniform resting gas surrounding the center or axis of symmetry. At the moment of collapse such a flow produces a uniform gas whose velocity at each point is constant and directed towards the axis or the center, i. e. the initial condition similar to the classic solution but with a finite pressure of the converging gas. After that, a constant-velocity accretion shock propagates into the incident gas whose pressure and velocity profiles are not flat, in contrast with the classic solution. Second, for an arbitrary equation of state, we demonstrate the existence of self-similar solutions of the Noh problem in cylindrical and spherical geometry. Examples of such solutions with a three-term equation of state that includes cold, thermal ion/lattice, and thermal electron contributions are presented for aluminum and copper. These analytic solutions are compared to our numerical simulation results as an example of their use for code verification. Work supported by the US DOE/NNSA.

Sharp Truncation of an Electric Field: An Idealized Model That Warrants Caution

ERIC Educational Resources Information Center

Tu, Hong; Zhu, Jiongming

2016-01-01

In physics, idealized models are often used to simplify complex situations. The motivation of the idealization is to make the real complex system tractable by adopting certain simplifications. In this treatment some unnecessary, negligible aspects are stripped away (so-called Aristotelian idealization), or some deliberate distortions are involved…

Simple equations to simulate closed-loop recycling liquid-liquid chromatography: Ideal and non-ideal recycling models.

PubMed

Kostanyan, Artak E

2015-12-04

The ideal (the column outlet is directly connected to the column inlet) and non-ideal (includes the effects of extra-column dispersion) recycling equilibrium-cell models are used to simulate closed-loop recycling counter-current chromatography (CLR CCC). Simple chromatogram equations for the individual cycles and equations describing the transport and broadening of single peaks and complex chromatograms inside the recycling closed-loop column for ideal and non-ideal recycling models are presented. The extra-column dispersion is included in the theoretical analysis, by replacing the recycling system (connecting lines, pump and valving) by a cascade of Nec perfectly mixed cells. To evaluate extra-column contribution to band broadening, two limiting regimes of recycling are analyzed: plug-flow, Nec→∞, and maximum extra-column dispersion, Nec=1. Comparative analysis of ideal and non-ideal models has shown that when the volume of the recycling system is less than one percent of the column volume, the influence of the extra-column processes on the CLR CCC separation may be neglected. Copyright © 2015 Elsevier B.V. All rights reserved.

Modeling multicomponent ion exchange equilibrium utilizing hydrous crystalline silicotitanates by a multiple interactive ion exchange site model

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

Zheng, Z.; Anthony, R.G.; Miller, J.E.

1997-06-01

An equilibrium multicomponent ion exchange model is presented for the ion exchange of group I metals by TAM-5, a hydrous crystalline silicotitanate. On the basis of the data from ion exchange and structure studies, the solid phase is represented as Na{sub 3}X instead of the usual form of NaX. By using this solid phase representation, the solid can be considered as an ideal phase. A set of model ion exchange reactions is proposed for ion exchange between H{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, and Cs{sup +}. The equilibrium constants for these reactions were estimated from experiments with simplemore » ion exchange systems. Bromley`s model for activity coefficients of electrolytic solutions was used to account for liquid phase nonideality. Bromley`s model parameters for CsOH at high ionic strength and for NO{sub 2}{sup {minus}} and Al(OH){sub 4}{sup {minus}} were estimated in order to apply the model for complex waste simulants. The equilibrium compositions and distribution coefficients of counterions were calculated for complex simulants typical of DOE wastes by solving the equilibrium equations for the model reactions and material balance equations. The predictions match the experimental results within 10% for all of these solutions.« less

Age-of-Air, Tape Recorder, and Vertical Transport Schemes

NASA Technical Reports Server (NTRS)

Lin, S.-J.; Einaudi, Franco (Technical Monitor)

2000-01-01

A numerical-analytic investigation of the impacts of vertical transport schemes on the model simulated age-of-air and the so-called 'tape recorder' will be presented using an idealized 1-D column transport model as well as a more realistic 3-D dynamical model. By comparing to the 'exact' solutions of 'age-of-air' and the 'tape recorder' obtainable in the 1-D setting, useful insight is gained on the impacts of numerical diffusion and dispersion of numerical schemes used in global models. Advantages and disadvantages of Eulerian, semi-Lagrangian, and Lagrangian transport schemes will be discussed. Vertical resolution requirement for numerical schemes as well as observing systems for capturing the fine details of the 'tape recorder' or any upward propagating wave-like structures can potentially be derived from the 1-D analytic model.

A pressure relaxation closure model for one-dimensional, two-material Lagrangian hydrodynamics based on the Riemann problem

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

Kamm, James R; Shashkov, Mikhail J

2009-01-01

Despite decades of development, Lagrangian hydrodynamics of strengthfree materials presents numerous open issues, even in one dimension. We focus on the problem of closing a system of equations for a two-material cell under the assumption of a single velocity model. There are several existing models and approaches, each possessing different levels of fidelity to the underlying physics and each exhibiting unique features in the computed solutions. We consider the case in which the change in heat in the constituent materials in the mixed cell is assumed equal. An instantaneous pressure equilibration model for a mixed cell can be cast asmore » four equations in four unknowns, comprised of the updated values of the specific internal energy and the specific volume for each of the two materials in the mixed cell. The unique contribution of our approach is a physics-inspired, geometry-based model in which the updated values of the sub-cell, relaxing-toward-equilibrium constituent pressures are related to a local Riemann problem through an optimization principle. This approach couples the modeling problem of assigning sub-cell pressures to the physics associated with the local, dynamic evolution. We package our approach in the framework of a standard predictor-corrector time integration scheme. We evaluate our model using idealized, two material problems using either ideal-gas or stiffened-gas equations of state and compare these results to those computed with the method of Tipton and with corresponding pure-material calculations.« less

Numerical modelling of physical processes in a ballistic laboratory setup with a tapered adapter and plastic piston used for obtaining high muzzle velocities

NASA Astrophysics Data System (ADS)

Bykov, N. V.

2014-12-01

Numerical modelling of a ballistic setup with a tapered adapter and plastic piston is considered. The processes in the firing chamber are described within the framework of quasi- one-dimensional gas dynamics and a geometrical law of propellant burn by means of Lagrangian mass coordinates. The deformable piston is considered to be an ideal liquid with specific equations of state. The numerical solution is obtained by means of a modified explicit von Neumann scheme. The calculation results given show that the ballistic setup with a tapered adapter and plastic piston produces increased shell muzzle velocities by a factor of more than 1.5-2.

Idealized cultural beliefs about gender: implications for mental health.

PubMed

Mahalingam, Ramaswami; Jackson, Benita

2007-12-01

In this paper, we examined the relationship between culture-specific ideals (chastity, masculinity, caste beliefs) and self-esteem, shame and depression using an idealized cultural model proposed by Mahalingam (2006, In: Mahalingam R (ed) Cultural psychology of immigrants. Lawrence Erlbaum, Mahwah, NJ, pp 1-14). Participants were from communities with a history of extreme male-biased sex ratios in Tamilnadu, India (N = 785). We hypothesized a dual-process model of self-appraisals suggesting that achieving idealized cultural identities would increase both self-esteem and shame, with the latter leading to depression, even after controlling for key covariates. We tested this using structural equation modeling. The proposed idealized cultural identities model had an excellent fit (CFI = 0.99); the effect of idealized identities on self-esteem, shame and depression differed by gender. Idealized beliefs about gender relate to psychological well-being in gender specific ways in extreme son preference communities. We discuss implications of these findings for future research and community-based interventions.

Generation of higher-order rogue waves from multibreathers by double degeneracy in an optical fiber.

PubMed

Wang, Lihong; He, Jingsong; Xu, Hui; Wang, Ji; Porsezian, Kuppuswamy

2017-04-01

In this paper, we construct a special kind of breather solution of the nonlinear Schrödinger (NLS) equation, the so-called breather-positon (b-positon for short), which can be obtained by taking the limit λ_{j}→λ_{1} of the Lax pair eigenvalues in the order-n periodic solution, which is generated by the n-fold Darboux transformation from a special "seed" solution-plane wave. Further, an order-n b-positon gives an order-n rogue wave under a limit λ_{1}→λ_{0}. Here, λ_{0} is a special eigenvalue in a breather of the NLS equation such that its period goes to infinity. Several analytical plots of order-2 breather confirm visually this double degeneration. The last limit in this double degeneration can be realized approximately in an optical fiber governed by the NLS equation, in which an injected initial ideal pulse is created by a frequency comb system and a programable optical filter (wave shaper) according to the profile of an analytical form of the b-positon at a certain position z_{0}. We also suggest a new way to observe higher-order rogue waves generation in an optical fiber, namely, measure the patterns at the central region of the higher-order b-positon generated by above ideal initial pulses when λ_{1} is very close to the λ_{0}. The excellent agreement between the numerical solutions generated from initial ideal inputs with a low signal-to-noise ratio and analytical solutions of order-2 b-positon supports strongly this way in a realistic optical fiber system. Our results also show the validity of the generating mechanism of a higher-order rogue waves from a multibreathers through the double degeneration.

A matrix solution for the simulation of magnetic fields with ideal current loops

NASA Technical Reports Server (NTRS)

Stankiewicz, N.

1979-01-01

A matrix formulation is presented for describing axisymmetric magnetic field data with ideal current loops. A computer program written in APL is used to invert the matrix and hence to solve for the coil strengths which are used to represent the field data. Examples are given of the coil representation for (1) measured magnetic data, (2) refocusing fields, and (3) PPM focusing fields.

Identities of Finitely Generated Algebras Over AN Infinite Field

NASA Astrophysics Data System (ADS)

Kemer, A. R.

1991-02-01

It is proved that for each finitely generated associative PI-algebra U over an infinite field F, there is a finite-dimensional F-algebra C such that the ideals of identities of the algebras U and C coincide. This yields a positive solution to the local problem of Specht for algebras over an infinite field: A finitely generated free associative algebra satisfies the maximum condition for T-ideals.

Abstraction and Idealization in Biomedicine: The Nonautonomous Theory of Acute Cell Injury.

PubMed

DeGracia, Donald J; Taha, Doaa; Tri Anggraini, Fika; Sutariya, Shreya; Rababeh, Gabriel; Huang, Zhi-Feng

2018-02-27

Neuroprotection seeks to halt cell death after brain ischemia and has been shown to be possible in laboratory studies. However, neuroprotection has not been successfully translated into clinical practice, despite voluminous research and controlled clinical trials. We suggested these failures may be due, at least in part, to the lack of a general theory of cell injury to guide research into specific injuries. The nonlinear dynamical theory of acute cell injury was introduced to ameliorate this situation. Here we present a revised nonautonomous nonlinear theory of acute cell injury and show how to interpret its solutions in terms of acute biomedical injuries. The theory solutions demonstrate the complexity of possible outcomes following an idealized acute injury and indicate that a "one size fits all" therapy is unlikely to be successful. This conclusion is offset by the fact that the theory can (1) determine if a cell has the possibility to survive given a specific acute injury, and (2) calculate the degree of therapy needed to cause survival. To appreciate these conclusions, it is necessary to idealize and abstract complex physical systems to identify the fundamental mechanism governing the injury dynamics. The path of abstraction and idealization in biomedical research opens the possibility for medical treatments that may achieve engineering levels of precision.

Abstraction and Idealization in Biomedicine: The Nonautonomous Theory of Acute Cell Injury

PubMed Central

DeGracia, Donald J.; Taha, Doaa; Tri Anggraini, Fika; Sutariya, Shreya; Rababeh, Gabriel; Huang, Zhi-Feng

2018-01-01

Neuroprotection seeks to halt cell death after brain ischemia and has been shown to be possible in laboratory studies. However, neuroprotection has not been successfully translated into clinical practice, despite voluminous research and controlled clinical trials. We suggested these failures may be due, at least in part, to the lack of a general theory of cell injury to guide research into specific injuries. The nonlinear dynamical theory of acute cell injury was introduced to ameliorate this situation. Here we present a revised nonautonomous nonlinear theory of acute cell injury and show how to interpret its solutions in terms of acute biomedical injuries. The theory solutions demonstrate the complexity of possible outcomes following an idealized acute injury and indicate that a “one size fits all” therapy is unlikely to be successful. This conclusion is offset by the fact that the theory can (1) determine if a cell has the possibility to survive given a specific acute injury, and (2) calculate the degree of therapy needed to cause survival. To appreciate these conclusions, it is necessary to idealize and abstract complex physical systems to identify the fundamental mechanism governing the injury dynamics. The path of abstraction and idealization in biomedical research opens the possibility for medical treatments that may achieve engineering levels of precision. PMID:29495539

Ground Testing Strategies for Verifying the Slew Rate Tolerance of Star Trackers

PubMed Central

Dzamba, Tom; Enright, John

2014-01-01

The performance of a star tracker is largely based on the availability of its attitude solution. Several methods exist to assess star tracker availability under both static and dynamic imaging conditions. However, these methods typically make various idealizations that can limit the accuracy of these results. This study aims to increase the fidelity of star tracker availability modeling by accounting for the effects of detection logic and pixel saturation on star detection. We achieve this by developing an analytical model for the focal plane intensity distribution of a star in the presence of sensor slew. Using the developed model, we examine the effects of slew rate on star detection using simulations and lab tests. The developed approach allows us to determine the maximum slew rate for which a star of a given stellar magnitude can still be detected. This information can then be used to describe the availability of a star tracker attitude solution as a function of slew rate, both spatially, across the entire celestial sphere, or locally, along a specified orientation track. PMID:24577522

Model structure of a cosmic-ray mediated stellar or solar wind

NASA Technical Reports Server (NTRS)

Lee, M. A.; Axford, W. I.

1988-01-01

An idealized hydrodynamic model is presented for the mediation of a free-streaming stellar wind by galactic cosmic rays or energetic particles accelerated at the stellar wind termination shock. The spherically-symmetric stellar wind is taken to be cold; the only body force is the cosmic ray pressure gradient. The cosmic rays are treated as a massless fluid with an effective mean diffusion coefficient k proportional to radial distance r. The structure of the governing equations is investigated both analytically and numerically. Solutions for a range of values of k are presented which describe the deceleration of the stellar wind and a transition to nearly incompressible flow and constant cosmic ray pressure at large r. In the limit of small k the transition steepens to a strong stellar wind termination shock. For large k the stellar wind is decelerated gradually with no shock transition. It is argued that the solutions provide a simple model for the mediation of the solar wind by interstellar ions as both pickup ions and the cosmic ray anomalous component which together dominate the pressure of the solar wind at large r.

Natural convection in binary gases driven by combined horizontal thermal and vertical solutal gradients

NASA Technical Reports Server (NTRS)

Weaver, J. A.; Viskanta, Raymond

1992-01-01

An investigation of natural convection is presented to examine the influence of a horizontal temperature gradient and a concentration gradient occurring from the bottom to the cold wall in a cavity. As the solutal buoyancy force changes from augmenting to opposing the thermal buoyancy force, the fluid motion switches from unicellular to multicellular flow (fluid motion is up the cold wall and down the hot wall for the bottom counterrotating flow cell). Qualitatively, the agreement between predicted streamlines and smoke flow patterns is generally good. In contrast, agreement between measured and predicted temperature and concentration distributions ranges from fair to poor. Part of the discrepancy can be attributed to experimental error. However, there remains considerable discrepancy between data and predictions due to the idealizations of the mathematical model, which examines only first-order physical effects. An unsteady flow, variable thermophysical properties, conjugate effects, species interdiffusion, and radiation were not accounted for in the model.

Computational Design of Self-Assembling Cyclic Protein Homo-oligomers

PubMed Central

Fallas, Jorge A.; Ueda, George; Sheffler, William; Nguyen, Vanessa; McNamara, Dan E.; Sankaran, Banumathi; Pereira, Jose Henrique; Parmeggiani, Fabio; Brunette, TJ; Cascio, Duilio; Yeates, Todd R.; Zwart, Peter; Baker, David

2016-01-01

Self-assembling cyclic protein homo-oligomers play important roles in biology and the ability to generate custom homo-oligomeric structures could enable new approaches to probe biological function. Here we report a general approach to design cyclic homo-oligomers that employs a new residue pair transform method for assessing the design ability of a protein-protein interface. This method is sufficiently rapid to enable systematic enumeration of cyclically docked arrangements of a monomer followed by sequence design of the newly formed interfaces. We use this method to design interfaces onto idealized repeat proteins that direct their assembly into complexes that possess cyclic symmetry. Of 96 designs that were experimentally characterized, 21 were found to form stable monodisperse homo-oligomers in solution, and 15 (4 homodimers, 6 homotrimers, 6 homotetramers and 1 homopentamer) had solution small angle X-ray scattering data consistent with the design models. X-ray crystal structures were obtained for five of the designs and each of these were shown to be very close to their design model. PMID:28338692

Dynamic behaviour of thin composite plates for different boundary conditions

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

Sprintu, Iuliana, E-mail: sprintui@yahoo.com, E-mail: rotaruconstantin@yahoo.com; Rotaru, Constantin, E-mail: sprintui@yahoo.com, E-mail: rotaruconstantin@yahoo.com

2014-12-10

In the context of composite materials technology, which is increasingly present in industry, this article covers a topic of great interest and theoretical and practical importance. Given the complex design of fiber-reinforced materials and their heterogeneous nature, mathematical modeling of the mechanical response under different external stresses is very difficult to address in the absence of simplifying assumptions. In most structural applications, composite structures can be idealized as beams, plates, or shells. The analysis is reduced from a three-dimensional elasticity problem to a oneor two-dimensional problem, based on certain simplifying assumptions that can be made because the structure is thin.more » This paper aims to validate a mathematical model illustrating how thin rectangular orthotropic plates respond to the actual load. Thus, from the theory of thin plates, new analytical solutions are proposed corresponding to orthotropic rectangular plates having different boundary conditions. The proposed analytical solutions are considered both for solving equation orthotropic rectangular plates and for modal analysis.« less

Size, shape, and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution.

PubMed

Soysa, W Chamath; Dünweg, B; Prakash, J Ravi

2015-08-14

Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-Hückel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various shape functions (defined in terms of eigenvalues of the radius of gyration tensor) of a weakly charged polyelectrolyte chain in solution, in the limit of low polymer concentration. The long-time diffusivity is calculated from the mean square displacement of the centre of mass of the chain, with hydrodynamic interactions taken into account through the incorporation of the Rotne-Prager-Yamakawa tensor. Simulation results are interpreted in the light of the Odjik, Skolnick, Fixman, Khokhlov, and Khachaturian blob scaling theory (Everaers et al., Eur. Phys. J. E 8, 3 (2002)) which predicts that all solution properties are determined by just two scaling variables-the number of electrostatic blobs X and the reduced Debye screening length, Y. We identify three broad regimes, the ideal chain regime at small values of Y, the blob-pole regime at large values of Y, and the crossover regime at intermediate values of Y, within which the mean size, shape, and diffusivity exhibit characteristic behaviours. In particular, when simulation results are recast in terms of blob scaling variables, universal behaviour independent of the choice of bead-spring chain parameters, and the number of blobs X, is observed in the ideal chain regime and in much of the crossover regime, while the existence of logarithmic corrections to scaling in the blob-pole regime leads to non-universal behaviour.

Submarine groundwater discharge and solute transport under a transgressive barrier island

NASA Astrophysics Data System (ADS)

Evans, Tyler B.; Wilson, Alicia M.

2017-04-01

Many recent investigations of groundwater dynamics in beaches employed groundwater models that assumed isotropic, numerically-convenient hydrogeological conditions. Real beaches exhibit local variability with respect to stratigraphy, sediment grain size and associated topographic profile, so that groundwater flow may diverge significantly from idealized models. We used a combination of hydrogeologic field methods and a variable-density, saturated-unsaturated, transient groundwater flow model to investigate SGD and solute transport under Cabretta Beach, a small transgressive barrier island seaward of Sapelo Island, Georgia. We found that the inclusion of real beach heterogeneity drove important deviations from predictions based on theoretical beaches. Cabretta Beach sustained a stronger upper saline plume than predicted due to the presence of a buried silty mud layer beneath the surface. Infiltration of seawater was greater for neap tides than for spring tides due to variations in beach slope. The strength of the upper saline plume was greatest during spring tides, contrary to recent model predictions. The position and width of the upper saline plume was highly dynamic through the lunar cycle. Our results suggest that field measurements of salinity gradients may be useful for estimating rates of tidally and density driven recirculation through the beach. Finally, our results indicate that several important biogeochemical cycles recently studied at Cabretta Beach were heavily influenced by groundwater flow and associated solute transport.

Perturbation method for the second-order nonlinear effect of focused acoustic field around a scatterer in an ideal fluid.

PubMed

Liu, Gang; Jayathilake, Pahala Gedara; Khoo, Boo Cheong

2014-02-01

Two nonlinear models are proposed to investigate the focused acoustic waves that the nonlinear effects will be important inside the liquid around the scatterer. Firstly, the one dimensional solutions for the widely used Westervelt equation with different coordinates are obtained based on the perturbation method with the second order nonlinear terms. Then, by introducing the small parameter (Mach number), a dimensionless formulation and asymptotic perturbation expansion via the compressible potential flow theory is applied. This model permits the decoupling between the velocity potential and enthalpy to second order, with the first potential solutions satisfying the linear wave equation (Helmholtz equation), whereas the second order solutions are associated with the linear non-homogeneous equation. Based on the model, the local nonlinear effects of focused acoustic waves on certain volume are studied in which the findings may have important implications for bubble cavitation/initiation via focused ultrasound called HIFU (High Intensity Focused Ultrasound). The calculated results show that for the domain encompassing less than ten times the radius away from the center of the scatterer, the non-linear effect exerts a significant influence on the focused high intensity acoustic wave. Moreover, at the comparatively higher frequencies, for the model of spherical wave, a lower Mach number may result in stronger nonlinear effects. Copyright © 2013 Elsevier B.V. All rights reserved.

Interactions in Undersaturated and Supersaturated Lysozyme Solutions: Static and Dynamic Light Scattering Results

NASA Technical Reports Server (NTRS)

Muschol, Martin; Rosenberger, Franz

1995-01-01

We have performed multiangle static and dynamic light scattering studies of lysozyme solutions at pH=4.7. The Rayleigh ratio R(sub g) and the collective diffusion coefficient D(sub c) were determined as function of both protein concentration c(sub p) and salt concentration c(sub s) with two different salts. At low salt concentrations, the scattering ratio K(sub c)(sub p)/R(sub theta) and diffusivity increased with protein concentration above the values for a monomeric, ideal solution. With increasing salt concentration this trend was eventually reversed. The hydrodynamic interactions of lysozyme in solution, extracted from the combination of static and dynamic scattering data, decreased significantly with increasing salt concentration. These observations reflect changes in protein interactions, in response to increased salt screening, from net repulsion to net attraction. Both salts had the same qualitative effect, but the quantitative behavior did not scale with the ionic strength of the solution. This indicates the presence of salt specific effects. At low protein concentrations, the slopes of K(sub c)(sub p)/R(sub theta) and D(sub c) vs c(sub p) were obtained. The dependence of the slopes on ionic strength was modeled using a DLVO potential for colloidal interactions of two spheres, with the net protein charge Z(sub e) and Hamaker constant A(sub H) as fitting parameters. The model reproduces the observed variations with ionic strength quite well. Independent fits to the static and dynamic data, however, led to different values of the fitting parameters. These and other shortcomings suggest that colloidal interaction models alone are insufficient to explain protein interactions in solutions.

A model for trace metal sorption processes at the calcite surface: Adsorption of Cd2+ and subsequent solid solution formation

USGS Publications Warehouse

Davis, J.A.; Fuller, C.C.; Cook, A.D.

1987-01-01

The rate of Cd2+ sorption by calcite was determined as a function of pH and Mg2+ in aqueous solutions saturated with respect to calcite but undersaturated with respect to CdCO3. The sorption is characterized by two reaction steps, with the first reaching completion within 24 hours. The second step proceeded at a slow and nearly constant rate for at least 7 days. The rate of calcite recrystallization was also studied, using a Ca2+ isotopic exchange technique. Both the recrystallization rate of calcite and the rate of slow Cd2+ sorption decrease with increasing pH or with increasing Mg2+. The recrystallization rate could be predicted from the number of moles of Ca present in the hydrated surface layer. A model is presented which is consistent with the rates of Cd2+ sorption and Ca2+ isotopic exchange. In the model, the first step in Cd2+ sorption involves a fast adsorption reaction that is followed by diffusion of Cd2+ into a surface layer of hydrated CaCO3 that overlies crystalline calcite. Desorption of Cd2+ from the hydrated layer is slow. The second step is solid solution formation in new crystalline material, which grows from the disordered mixture of Cd and Ca carbonate in the hydrated surface layer. Calculated distribution coefficients for solid solutions formed at the surface are slightly greater than the ratio of equilibrium constants for dissolution of calcite and CdCO3, which is the value that would be expected for an ideal solid solution in equilibrium with the aqueous solution. ?? 1987.

Joint global optimization of tomographic data based on particle swarm optimization and decision theory

NASA Astrophysics Data System (ADS)

Paasche, H.; Tronicke, J.

2012-04-01

In many near surface geophysical applications multiple tomographic data sets are routinely acquired to explore subsurface structures and parameters. Linking the model generation process of multi-method geophysical data sets can significantly reduce ambiguities in geophysical data analysis and model interpretation. Most geophysical inversion approaches rely on local search optimization methods used to find an optimal model in the vicinity of a user-given starting model. The final solution may critically depend on the initial model. Alternatively, global optimization (GO) methods have been used to invert geophysical data. They explore the solution space in more detail and determine the optimal model independently from the starting model. Additionally, they can be used to find sets of optimal models allowing a further analysis of model parameter uncertainties. Here we employ particle swarm optimization (PSO) to realize the global optimization of tomographic data. PSO is an emergent methods based on swarm intelligence characterized by fast and robust convergence towards optimal solutions. The fundamental principle of PSO is inspired by nature, since the algorithm mimics the behavior of a flock of birds searching food in a search space. In PSO, a number of particles cruise a multi-dimensional solution space striving to find optimal model solutions explaining the acquired data. The particles communicate their positions and success and direct their movement according to the position of the currently most successful particle of the swarm. The success of a particle, i.e. the quality of the currently found model by a particle, must be uniquely quantifiable to identify the swarm leader. When jointly inverting disparate data sets, the optimization solution has to satisfy multiple optimization objectives, at least one for each data set. Unique determination of the most successful particle currently leading the swarm is not possible. Instead, only statements about the Pareto optimality of the found solutions can be made. Identification of the leading particle traditionally requires a costly combination of ranking and niching techniques. In our approach, we use a decision rule under uncertainty to identify the currently leading particle of the swarm. In doing so, we consider the different objectives of our optimization problem as competing agents with partially conflicting interests. Analysis of the maximin fitness function allows for robust and cheap identification of the currently leading particle. The final optimization result comprises a set of possible models spread along the Pareto front. For convex Pareto fronts, solution density is expected to be maximal in the region ideally compromising all objectives, i.e. the region of highest curvature.

Apparatus for Sizing and Rewinding Graphite Fibers

NASA Technical Reports Server (NTRS)

Wilson, M. L.; Stanfield, C. E.

1986-01-01

Equipment ideally suited for research and development of new sizing solutions. Designed expecially for applying thermoplastic sizing solutions to graphite tow consisting of 3,000 to 12,000 filaments per tow, but accommodates other solutions, filament counts, and materials other than graphite. Closed system containing highly volatile methylene chloride vapors. Also ventilation system directly over resin reservoir. Concept used to apply sizing compounds on fiber tows or yarn-type reinforcement materials used in composite technology. Sizing solutions consist of compounds compatible with thermosets as well as thermoplastics.

Global deformation of the Earth, surface mass anomalies, and the geodetic infrastructure required to study these processes

NASA Astrophysics Data System (ADS)

Kusche, J.; Rietbroek, R.; Gunter, B.; Mark-Willem, J.

2008-12-01

Global deformation of the Earth can be linked to loading caused by mass changes in the atmosphere, the ocean and the terrestrial hydrosphere. World-wide geodetic observation systems like GPS, e.g., the global IGS network, can be used to study the global deformation of the Earth directly and, when other effects are properly modeled, provide information regarding the surface loading mass (e.g., to derive geo-center motion estimates). Vice versa, other observing systems that monitor mass change, either through gravitational changes (GRACE) or through a combination of in-situ and modeled quantities (e.g., the atmosphere, ocean or hydrosphere), can provide indirect information on global deformation. In the framework of the German 'Mass transport and mass distribution' program, we estimate surface mass anomalies at spherical harmonic resolution up to degree and order 30 by linking three complementary data sets in a least squares approach. Our estimates include geo-center motion and the thickness of a spatially uniform layer on top of the ocean surface (that is otherwise estimated from surface fluxes, evaporation and precipitation, and river run-off) as a time-series. As with all current Earth observing systems, each dataset has its own limitations and do not realize homogeneous coverage over the globe. To assess the impact that these limitations might have on current and future deformation and loading mass solutions, a sensitivity study was conducted. Simulated real-case and idealized solutions were explored in which the spatial distribution and quality of GPS, GRACE and OBP data sets were varied. The results show that significant improvements, e.g., over the current GRACE monthly gravity fields, in particular at the low degrees, can be achieved when these solutions are combined with present day GPS and OBP products. Our idealized scenarios also provide quantitative implications on how much surface mass change estimates may improve in the future when improved observing systems become available.

The classical D-type expansion of spherical H II regions

NASA Astrophysics Data System (ADS)

Williams, Robin J. R.; Bibas, Thomas G.; Haworth, Thomas J.; Mackey, Jonathan

2018-06-01

Recent numerical and analytic work has highlighted some shortcomings in our understanding of the dynamics of H II region expansion, especially at late times, when the H II region approaches pressure equilibrium with the ambient medium. Here we reconsider the idealized case of a constant radiation source in a uniform and spherically symmetric ambient medium, with an isothermal equation of state. A thick-shell solution is developed which captures the stalling of the ionization front and the decay of the leading shock to a weak compression wave as it escapes to large radii. An acoustic approximation is introduced to capture the late-time damped oscillations of the H II region about the stagnation radius. Putting these together, a matched asymptotic equation is derived for the radius of the ionization front which accounts for both the inertia of the expanding shell and the finite temperature of the ambient medium. The solution to this equation is shown to agree very well with the numerical solution at all times, and is superior to all previously published solutions. The matched asymptotic solution can also accurately model the variation of H II region radius for a time-varying radiation source.

Preparation and Analysis of Solid Solutions in the Potassium Perchlorate-Permanganate System.

ERIC Educational Resources Information Center

Johnson, Garrett K.

1979-01-01

Describes an experiment, designed for and tested in an advanced inorganic laboratory methods course for college seniors and graduate students, that prepares and analyzes several samples in the nearly ideal potassium perchlorate-permanganate solid solution series. The results are accounted for by a theoretical treatment based upon aqueous…

A new relativistic viscous hydrodynamics code and its application to the Kelvin–Helmholtz instability in high-energy heavy-ion collisions

DOE PAGES

Okamoto, Kazuhisa; Nonaka, Chiho

2017-06-09

Here, we construct a new relativistic viscous hydrodynamics code optimized in the Milne coordinates. We also split the conservation equations into an ideal part and a viscous part, using the Strang spitting method. In the code a Riemann solver based on the two-shock approximation is utilized for the ideal part and the Piecewise Exact Solution (PES) method is applied for the viscous part. Furthemore, we check the validity of our numerical calculations by comparing analytical solutions, the viscous Bjorken’s flow and the Israel–Stewart theory in Gubser flow regime. Using the code, we discuss possible development of the Kelvin–Helmholtz instability inmore » high-energy heavy-ion collisions.« less

Exact Solutions to Several Nonlinear Cases of Generalized Grad-Shafranov Equation for Ideal Magnetohydrodynamic Flows in Axisymmetric Domain

NASA Astrophysics Data System (ADS)

Adem, Abdullahi Rashid; Moawad, Salah M.

2018-05-01

In this paper, the steady-state equations of ideal magnetohydrodynamic incompressible flows in axisymmetric domains are investigated. These flows are governed by a second-order elliptic partial differential equation as a type of generalized Grad-Shafranov equation. The problem of finding exact equilibria to the full governing equations in the presence of incompressible mass flows is considered. Two different types of constraints on position variables are presented to construct exact solution classes for several nonlinear cases of the governing equations. Some of the obtained results are checked for their applications to magnetic confinement plasma. Besides, they cover many previous configurations and include new considerations about the nonlinearity of magnetic flux stream variables.

Linear and nonlinear dynamic analysis of redundant load path bearingless rotor systems

NASA Technical Reports Server (NTRS)

Murthy, V. R.

1985-01-01

The bearingless rotorcraft offers reduced weight, less complexity and superior flying qualities. Almost all the current industrial structural dynamic programs of conventional rotors which consist of single load path rotor blades employ the transfer matrix method to determine natural vibration characteristics because this method is ideally suited for one dimensional chain like structures. This method is extended to multiple load path rotor blades without resorting to an equivalent single load path approximation. Unlike the conventional blades, it isk necessary to introduce the axial-degree-of-freedom into the solution process to account for the differential axial displacements in the different load paths. With the present extension, the current rotor dynamic programs can be modified with relative ease to account for the multiple load paths without resorting to the equivalent single load path modeling. The results obtained by the transfer matrix method are validated by comparing with the finite element solutions. A differential stiffness matrix due to blade rotation is derived to facilitate the finite element solutions.

The CMC:3DPNS computer program for prediction of three-dimensional, subsonic, turbulent aerodynamic juncture region flow. Volume 1: Theoretical

NASA Technical Reports Server (NTRS)

Baker, A. J.

1982-01-01

An order-of-magnitude analysis of the subsonic three dimensional steady time averaged Navier-Stokes equations, for semibounded aerodynamic juncture geometries, yields the parabolic Navier-Stokes simplification. The numerical solution of the resultant pressure Poisson equation is cast into complementary and particular parts, yielding an iterative interaction algorithm with an exterior three dimensional potential flow solution. A parabolic transverse momentum equation set is constructed, wherein robust enforcement of first order continuity effects is accomplished using a penalty differential constraint concept within a finite element solution algorithm. A Reynolds stress constitutive equation, with low turbulence Reynolds number wall functions, is employed for closure, using parabolic forms of the two-equation turbulent kinetic energy-dissipation equation system. Numerical results document accuracy, convergence, and utility of the developed finite element algorithm, and the CMC:3DPNS computer code applied to an idealized wing-body juncture region. Additional results document accuracy aspects of the algorithm turbulence closure model.

A novel approach of utilization of the fungal conidia biomass to remove heavy metals from the aqueous solution through immobilization

NASA Astrophysics Data System (ADS)

Cai, Chun-Xiang; Xu, Jian; Deng, Nian-Fang; Dong, Xue-Wei; Tang, Hao; Liang, Yu; Fan, Xian-Wei; Li, You-Zhi

2016-11-01

The biomass of filamentous fungi is an important cost-effective biomass for heavy metal biosorption. However, use of free fungal cells can cause difficulties in the separation of biomass from the effluent. In this study, we immobilized the living conidia of the heavy metal-resistant Penicillium janthinillum strain GXCR by polyvinyl alcohol (PVA)-sodium alginate (SA) beads to remove heavy metals from an aqueous solution containing a low concentration (70 mg/L) of Cu, Pb, and Cd. The PVA-SA-conidia beads showed perfect characters of appropriate mechanical strength suitable for metal removal from the dynamic wastewater environment, an ideal settleability, easy separation from the solution, and a high metal biosorption and removal rate even after four cycles of successive sorption-desorption of the beads, overcoming disadvantages when fungal biomasses alone are used for heavy metal removal from wastewater. We also discuss the major biosorption-affecting factors, biosorption models, and biosorption mechanisms.

A novel approach of utilization of the fungal conidia biomass to remove heavy metals from the aqueous solution through immobilization

PubMed Central

Cai, Chun-Xiang; Xu, Jian; Deng, Nian-Fang; Dong, Xue-Wei; Tang, Hao; Liang, Yu; Fan, Xian-Wei; Li, You-Zhi

2016-01-01

The biomass of filamentous fungi is an important cost-effective biomass for heavy metal biosorption. However, use of free fungal cells can cause difficulties in the separation of biomass from the effluent. In this study, we immobilized the living conidia of the heavy metal-resistant Penicillium janthinillum strain GXCR by polyvinyl alcohol (PVA)-sodium alginate (SA) beads to remove heavy metals from an aqueous solution containing a low concentration (70 mg/L) of Cu, Pb, and Cd. The PVA-SA-conidia beads showed perfect characters of appropriate mechanical strength suitable for metal removal from the dynamic wastewater environment, an ideal settleability, easy separation from the solution, and a high metal biosorption and removal rate even after four cycles of successive sorption-desorption of the beads, overcoming disadvantages when fungal biomasses alone are used for heavy metal removal from wastewater. We also discuss the major biosorption-affecting factors, biosorption models, and biosorption mechanisms. PMID:27848987

A positive and entropy-satisfying finite volume scheme for the Baer-Nunziato model

NASA Astrophysics Data System (ADS)

Coquel, Frédéric; Hérard, Jean-Marc; Saleh, Khaled

2017-02-01

We present a relaxation scheme for approximating the entropy dissipating weak solutions of the Baer-Nunziato two-phase flow model. This relaxation scheme is straightforwardly obtained as an extension of the relaxation scheme designed in [16] for the isentropic Baer-Nunziato model and consequently inherits its main properties. To our knowledge, this is the only existing scheme for which the approximated phase fractions, phase densities and phase internal energies are proven to remain positive without any restrictive condition other than a classical fully computable CFL condition. For ideal gas and stiffened gas equations of state, real values of the phasic speeds of sound are also proven to be maintained by the numerical scheme. It is also the only scheme for which a discrete entropy inequality is proven, under a CFL condition derived from the natural sub-characteristic condition associated with the relaxation approximation. This last property, which ensures the non-linear stability of the numerical method, is satisfied for any admissible equation of state. We provide a numerical study for the convergence of the approximate solutions towards some exact Riemann solutions. The numerical simulations show that the relaxation scheme compares well with two of the most popular existing schemes available for the Baer-Nunziato model, namely Schwendeman-Wahle-Kapila's Godunov-type scheme [39] and Tokareva-Toro's HLLC scheme [44]. The relaxation scheme also shows a higher precision and a lower computational cost (for comparable accuracy) than a standard numerical scheme used in the nuclear industry, namely Rusanov's scheme. Finally, we assess the good behavior of the scheme when approximating vanishing phase solutions.

A positive and entropy-satisfying finite volume scheme for the Baer–Nunziato model

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

Coquel, Frédéric, E-mail: frederic.coquel@cmap.polytechnique.fr; Hérard, Jean-Marc, E-mail: jean-marc.herard@edf.fr; Saleh, Khaled, E-mail: saleh@math.univ-lyon1.fr

We present a relaxation scheme for approximating the entropy dissipating weak solutions of the Baer–Nunziato two-phase flow model. This relaxation scheme is straightforwardly obtained as an extension of the relaxation scheme designed in for the isentropic Baer–Nunziato model and consequently inherits its main properties. To our knowledge, this is the only existing scheme for which the approximated phase fractions, phase densities and phase internal energies are proven to remain positive without any restrictive condition other than a classical fully computable CFL condition. For ideal gas and stiffened gas equations of state, real values of the phasic speeds of sound aremore » also proven to be maintained by the numerical scheme. It is also the only scheme for which a discrete entropy inequality is proven, under a CFL condition derived from the natural sub-characteristic condition associated with the relaxation approximation. This last property, which ensures the non-linear stability of the numerical method, is satisfied for any admissible equation of state. We provide a numerical study for the convergence of the approximate solutions towards some exact Riemann solutions. The numerical simulations show that the relaxation scheme compares well with two of the most popular existing schemes available for the Baer–Nunziato model, namely Schwendeman–Wahle–Kapila's Godunov-type scheme and Tokareva–Toro's HLLC scheme . The relaxation scheme also shows a higher precision and a lower computational cost (for comparable accuracy) than a standard numerical scheme used in the nuclear industry, namely Rusanov's scheme. Finally, we assess the good behavior of the scheme when approximating vanishing phase solutions.« less

Scale-Dependent Fracture-Matrix Interactions And Their Impact on Radionuclide Transport - Final Report

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

Detwiler, Russell

Matrix diffusion and adsorption within a rock matrix are widely regarded as important mechanisms for retarding the transport of radionuclides and other solutes in fractured rock (e.g., Neretnieks, 1980; Tang et al., 1981; Maloszewski and Zuber, 1985; Novakowski and Lapcevic, 1994; Jardine et al., 1999; Zhou and Xie, 2003; Reimus et al., 2003a,b). When remediation options are being evaluated for old sources of contamination, where a large fraction of contaminants reside within the rock matrix, slow diffusion out of the matrix greatly increases the difficulty and timeframe of remediation. Estimating the rates of solute exchange between fractures and the adjacentmore » rock matrix is a critical factor in quantifying immobilization and/or remobilization of DOE-relevant contaminants within the subsurface. In principle, the most rigorous approach to modeling solute transport with fracture-matrix interaction would be based on local-scale coupled advection-diffusion/dispersion equations for the rock matrix and in discrete fractures that comprise the fracture network (Discrete Fracture Network and Matrix approach, hereinafter referred to as DFNM approach), fully resolving aperture variability in fractures and matrix property heterogeneity. However, such approaches are computationally demanding, and thus, many predictive models rely upon simplified models. These models typically idealize fracture rock masses as a single fracture or system of parallel fractures interacting with slabs of porous matrix or as a mobile-immobile or multi-rate mass transfer system. These idealizations provide tractable approaches for interpreting tracer tests and predicting contaminant mobility, but rely upon a fitted effective matrix diffusivity or mass-transfer coefficients. However, because these fitted parameters are based upon simplified conceptual models, their effectiveness at predicting long-term transport processes remains uncertain. Evidence of scale dependence of effective matrix diffusion coefficients obtained from tracer tests highlights this point and suggests that the underlying mechanisms and relationship between rock and fracture properties are not fully understood in large complex fracture networks. In this project, we developed a high-resolution DFN model of solute transport in fracture networks to explore and quantify the mechanisms that control transport in complex fracture networks and how these may give rise to observed scale-dependent matrix diffusion coefficients. Results demonstrate that small scale heterogeneity in the flow field caused by local aperture variability within individual fractures can lead to long-tailed breakthrough curves indicative of matrix diffusion, even in the absence of interactions with the fracture matrix. Furthermore, the temporal and spatial scale dependence of these processes highlights the inability of short-term tracer tests to estimate transport parameters that will control long-term fate and transport of contaminants in fractured aquifers.« less

Evaluation of the antimicrobial effect of super-oxidized water (Sterilox®) and sodium hypochlorite against Enterococcus faecalis in a bovine root canal model

PubMed Central

ROSSI-FEDELE, Giampiero; de FIGUEIREDO, José Antonio Poli; STEIER, Liviu; CANULLO, Luigi; STEIER, Gabriela; ROBERTS, Adam P.

2010-01-01

Ideally root canal irrigants should have, amongst other properties, antimicrobial action associated with a lack of toxicity against periapical tissues. Sodium hypochlorite (NaOCl) is a widely used root canal irrigant, however it has been shown to have a cytotoxic effect on vital tissue and therefore it is prudent to investigate alternative irrigants. Sterilox's Aquatine Alpha Electrolyte® belongs to the group of the super-oxidized waters; it consists of a mixture of oxidizing substances, and has been suggested to be used as root canal irrigant. Super-oxidized waters have been shown to provide efficient cleaning of root canal walls, and have been proposed to be used for the disinfection of medical equipment. Objective To compare the antimicrobial action against Enterococcus faecalis of NaOCl, Optident Sterilox Electrolyte Solution® and Sterilox's Aquatine Alpha Electrolyte® when used as irrigating solutions in a bovine root canal model. Methodology Root sections were prepared and inoculated with E. faecalis JH2-2. After 10 days of incubation the root canals were irrigated using one of three solutions (NaOCl, Optident Sterilox Electrolyte Solution® and Sterilox's Aquatine Alpha Electrolyte®) and subsequently sampled by grinding dentin using drills. The debris was placed in BHI broth and dilutions were plated onto fresh agar plates to quantify growth. Results Sodium hypochlorite was the only irrigant to eliminate all bacteria. When the dilutions were made, although NaOCl was still statistically superior, Sterilox's Aquatine Alpha Electrolyte® solution was superior to Optident Sterilox Electrolyte Solution®. Conclusion Under the conditions of this study Sterilox's Aquatine Alpha Electrolyte® appeared to have significantly more antimicrobial action compared to the Optident Sterilox Electrolyte Solution® alone, however NaOCl was the only solution able to consistently eradicate E. faecalis in the model. PMID:21085808

Development and Validation of a Hypersonic Vehicle Design Tool Based On Waverider Design Technique

NASA Astrophysics Data System (ADS)

Dasque, Nastassja

Methodologies for a tool capable of assisting design initiatives for practical waverider based hypersonic vehicles were developed and validated. The design space for vehicle surfaces was formed using an algorithm that coupled directional derivatives with the conservation laws to determine a flow field defined by a set of post-shock streamlines. The design space is used to construct an ideal waverider with a sharp leading edge. A blunting method was developed to modify the ideal shapes to a more practical geometry for real-world application. Empirical and analytical relations were then systematically applied to the resulting geometries to determine local pressure, skin-friction and heat flux. For the ideal portion of the geometry, flat plate relations for compressible flow were applied. For the blunted portion of the geometry modified Newtonian theory, Fay-Riddell theory and Modified Reynolds analogy were applied. The design and analysis methods were validated using analytical solutions as well as empirical and numerical data. The streamline solution for the flow field generation technique was compared with a Taylor-Maccoll solution and showed very good agreement. The relationship between the local Stanton number and skin friction coefficient with local Reynolds number along the ideal portion of the body showed good agreement with experimental data. In addition, an automated grid generation routine was formulated to construct a structured mesh around resulting geometries in preparation for Computational Fluid Dynamics analysis. The overall analysis of the waverider body using the tool was then compared to CFD studies. The CFD flow field showed very good agreement with the design space. However, the distribution of the surface properties was near CFD results but did not have great agreement.

Vectorization of a particle simulation method for hypersonic rarefied flow

NASA Technical Reports Server (NTRS)

Mcdonald, Jeffrey D.; Baganoff, Donald

1988-01-01

An efficient particle simulation technique for hypersonic rarefied flows is presented at an algorithmic and implementation level. The implementation is for a vector computer architecture, specifically the Cray-2. The method models an ideal diatomic Maxwell molecule with three translational and two rotational degrees of freedom. Algorithms are designed specifically for compatibility with fine grain parallelism by reducing the number of data dependencies in the computation. By insisting on this compatibility, the method is capable of performing simulation on a much larger scale than previously possible. A two-dimensional simulation of supersonic flow over a wedge is carried out for the near-continuum limit where the gas is in equilibrium and the ideal solution can be used as a check on the accuracy of the gas model employed in the method. Also, a three-dimensional, Mach 8, rarefied flow about a finite-span flat plate at a 45 degree angle of attack was simulated. It utilized over 10 to the 7th particles carried through 400 discrete time steps in less than one hour of Cray-2 CPU time. This problem was chosen to exhibit the capability of the method in handling a large number of particles and a true three-dimensional geometry.

Key parameters of the sediment surface morphodynamics in an estuary - An assessment of model solutions

NASA Astrophysics Data System (ADS)

Sampath, D. M. R.; Boski, T.

2018-05-01

Large-scale geomorphological evolution of an estuarine system was simulated by means of a hybrid estuarine sedimentation model (HESM) applied to the Guadiana Estuary, in Southwest Iberia. The model simulates the decadal-scale morphodynamics of the system under environmental forcing, using a set of analytical solutions to simplified equations of tidal wave propagation in shallow waters, constrained by empirical knowledge of estuarine sedimentary dynamics and topography. The key controlling parameters of the model are bed friction (f), current velocity power of the erosion rate function (N), and sea-level rise rate. An assessment of sensitivity of the simulated sediment surface elevation (SSE) change to these controlling parameters was performed. The model predicted the spatial differentiation of accretion and erosion, the latter especially marked in the mudflats within mean sea level and low tide level and accretion was mainly in a subtidal channel. The average SSE change mutually depended on both the friction coefficient and power of the current velocity. Analysis of the average annual SSE change suggests that the state of intertidal and subtidal compartments of the estuarine system vary differently according to the dominant processes (erosion and accretion). As the Guadiana estuarine system shows dominant erosional behaviour in the context of sea-level rise and sediment supply reduction after the closure of the Alqueva Dam, the most plausible sets of parameter values for the Guadiana Estuary are N = 1.8 and f = 0.8f0, or N = 2 and f = f0, where f0 is the empirically estimated value. For these sets of parameter values, the relative errors in SSE change did not exceed ±20% in 73% of simulation cells in the studied area. Such a limit of accuracy can be acceptable for an idealized modelling of coastal evolution in response to uncertain sea-level rise scenarios in the context of reduced sediment supply due to flow regulation. Therefore, the idealized but cost-effective HESM model will be suitable for estimating the morphological impacts of sea-level rise on estuarine systems on a decadal timescale.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical solutions of ideal quantum gas dynamical flows governed by semiclassical ellipsoidal-statistical distribution.

PubMed

Yang, Jaw-Yen; Yan, Chih-Yuan; Diaz, Manuel; Huang, Juan-Chen; Li, Zhihui; Zhang, Hanxin

2014-01-08

The ideal quantum gas dynamics as manifested by the semiclassical ellipsoidal-statistical (ES) equilibrium distribution derived in Wu et al. (Wu et al . 2012 Proc. R. Soc. A 468 , 1799-1823 (doi:10.1098/rspa.2011.0673)) is numerically studied for particles of three statistics. This anisotropic ES equilibrium distribution was derived using the maximum entropy principle and conserves the mass, momentum and energy, but differs from the standard Fermi-Dirac or Bose-Einstein distribution. The present numerical method combines the discrete velocity (or momentum) ordinate method in momentum space and the high-resolution shock-capturing method in physical space. A decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. Computations of two-dimensional Riemann problems are presented, and various contours of the quantities unique to this ES model are illustrated. The main flow features, such as shock waves, expansion waves and slip lines and their complex nonlinear interactions, are depicted and found to be consistent with existing calculations for a classical gas.

Diversity management: an imperative for healthcare organizations.

PubMed

Gathers, Daryl

2003-01-01

Historically, white males have represented the ideal manager in appearance, values, and behaviors, resulting in overt or subtle discrimination in selection, evaluation, and promotion practices in corporate America. Because women and minorities could not meet this ideal, they were often passed over for advancement. The author discusses key areas of diversity management for healthcare administrators to consider: the elements of diversity, the reasons behind diversity management, and solutions for addressing many of the issues involved.

The military health system: a community of solutions for medical education, health care delivery, and public health.

PubMed

Lennon, Robert P; Saguil, Aaron; Seehusen, Dean A; Reamy, Brian V; Stephens, Mark B

2013-01-01

Multiple strategies have been proposed to improve health care in the United States. These include the development of communities of solution (COSs), implementation of patient-centered medical homes (PCMHs), and lengthening family medicine residency training. There is scant literature on how to build and integrate these ideal models of care, and no literature about how to build a model of care integrating all 3 strategies is available. The Military Health System has adopted the PCMH model and will offer some 4-year family medicine residency positions starting in 2013. Lengthening residency training to 4 years represents an unprecedented opportunity to weave experiential COS instruction throughout a family physician's graduate medical education, providing future family physicians the skills needed to foster a COS in their future practice. This article describes our COS effort to synergize 3 aspects of modern military medicine: self-defined community populations, the transition to the PCMH model, and the initiation of the 4-year length of training pilot program in family medicine residency training. In this way we provide a starting point and general how-to guide that can be used to create a COS integrated with other current concepts in medicine.

Tornado model for a magnetised plasma

NASA Astrophysics Data System (ADS)

Onishchenko, O. G.; Fedun, V.; Smolyakov, A.; Horton, W.; Pokhotelov, O. A.; Verth, G.

2018-05-01

A new analytical model of axially-symmetric magnetic vortices with both a twisted fluid flow and a magnetic field is proposed. The exact solution for the three-dimensional structure of the fluid velocity and the magnetic field is obtained within the framework of the ideal magnetohydrodynamic equations for an incompressible fluid in a gravitational field. A quasi-stationary localised vortex arises when the radial flow that tends to concentrate vorticity in a narrow column around the axis of symmetry is balanced by the vertical vortex advection in the axial direction. The explicit expressions for the velocity and magnetic field components are obtained. The proposed analytic model may be used to parameterise the observed solar tornadoes and can provide a new indirect way for estimating magnetic twist from the observed azimuthal velocity profiles.

Modeling and experiments of magneto-nanosensors for diagnostics of radiation exposure and cancer

PubMed Central

Kim, Dokyoon; Lee, Jung-Rok; Shen, Eric

2013-01-01

We present a resistive network model, protein assay data, and outlook of the giant magnetoresistive (GMR) spin-valve magneto-nanosensor platform ideal for multiplexed detection of protein biomarkers in solutions. The magneto-nanosensors are designed to have optimal performance considering several factors such as sensor dimension, shape anisotropy, and magnetic nanoparticle tags. The resistive network model indicates that thinner spin-valve sensors with narrower width lead to higher signals from magnetic nanoparticle tags. Standard curves and real-time measurements showed a sensitivity of ~10 pM for phosphorylated-structural maintenance of chromosome 1 (phosphor-SMC1), ~53 fM for granulocyte colony stimulation factor (GCSF), and ~460 fM for interleukin-6 (IL6), which are among the representative biomarkers for radiation exposure and cancer. PMID:22763391

Lifestyle constraints, not inadequate nutrition education, cause gap between breakfast ideals and realities among Japanese in Tokyo.

PubMed

Melby, Melissa K; Takeda, Wakako

2014-01-01

Japanese public health nutrition often promotes 'traditional' cuisine. In-depth interviews with 107 Japanese adults were conducted in Tokyo from 2009 to 2011, using free-listing methods to examine dietary ideals and realities to assess the extent to which realities reflect inadequate nutrition education or lifestyle constraints. Ideal-reality gaps were widest for breakfast. Most people reported Japanese ideals: rice and miso soup were prototypical foods. However, breakfast realities were predominantly western (bread-based). While those aged 40-59 were more likely to hold Japanese ideals (P=0.063), they were less likely to achieve them (P=0.007). All those reporting western ideals achieved them on weekdays, while only 64% of those with Japanese ideals achieved them (P<0.001). Partial correlations controlling for age and gender showed achievement of Japanese ideals were positively correlated with proportion of cooking-related housework, and negatively correlated with living standard and income. Ideal menu content was in line with current Japanese nutrition advice, suggesting that more nutrition education may not change dietary ideals or behavior. Participant-reported reasons for ideal-reality discordance demonstrate that work-life balance issues, especially lack of time and family structure/life rhythm, are the largest obstacles to the attainment of dietary ideals. People reporting 'no time' as a primary reason for ideal-reality gaps were less likely to achieve their Japanese ideals (odds ratio=0.212). Time realities of people's lives may undermine educational efforts promoting Japanese breakfasts. When dietary reality/behavior departs from guidelines, it is often assumed that people lack knowledge. If ideals are in line with dietary guidelines, then lack of knowledge is not the likely cause and nutrition education is not the optimal solution. By asking people about the reasons for gaps between their ideals and realities, we can identify barriers and design more effective policies and programs to achieve dietary ideals. Copyright © 2013 Elsevier Ltd. All rights reserved.

Solar thermoelectric generator

DOEpatents

Toberer, Eric S.; Baranowski, Lauryn L.; Warren, Emily L.

2016-05-03

Solar thermoelectric generators (STEGs) are solid state heat engines that generate electricity from concentrated sunlight. A novel detailed balance model for STEGs is provided and applied to both state-of-the-art and idealized materials. STEGs can produce electricity by using sunlight to heat one side of a thermoelectric generator. While concentrated sunlight can be used to achieve extremely high temperatures (and thus improved generator efficiency), the solar absorber also emits a significant amount of black body radiation. This emitted light is the dominant loss mechanism in these generators. In this invention, we propose a solution to this problem that eliminates virtually all of the emitted black body radiation. This enables solar thermoelectric generators to operate at higher efficiency and achieve said efficient with lower levels of optical concentration. The solution is suitable for both single and dual axis solar thermoelectric generators.

A Determinate Model of Thrust-Augmenting Ejectors

NASA Astrophysics Data System (ADS)

Whitley, N.; Krothapalli, A.; van Dommelen, L.

1996-01-01

A theoretical analysis of the compressible flow through a constant-area jet-engine ejector in which a primary jet mixes with ambient fluid from a uniform free stream is pursued. The problem is reduced to a determinate mathematical one by prescribing the ratios of stagnation properties between the primary and secondary flows. For some selections of properties and parameters more than one solution is possible and the meaning of these solutions is discussed by means of asymptotic expansions. Our results further show that while under stationary conditions the thrust-augmentation ratio assumes a value of 2 in the large area-ratio limit, for a free-stream Mach number greater than 0.6 very little thrust augmentation is left. Due to the assumptions made, the analysis provides idealized values for the thrust-augmentation ratio and the mass flux entrainment factor.

Dog Models of Naturally Occurring Cancer

PubMed Central

Rowell, Jennie L.; McCarthy, Donna O.; Alvarez, Carlos E.

2011-01-01

Studies using dogs provide an ideal solution to the gap in animal models of natural disease and translational medicine. This is evidenced by approximately 400 inherited disorders being characterized in domesticated dogs, most of which are relevant to humans. There are several hundred isolated populations of dogs (breeds) and each has vastly reduced genetic variation compared to humans; this simplifies disease mapping and pharmacogenomics. Dogs age five to eight-fold faster than humans, share environments with their owners, are usually kept until old age, and receive a high level of health care. Farseeing investigators recognized this potential and, over the last decade, developed the necessary tools and infrastructure to utilize this powerful model of human disease, including the sequencing of the dog genome in 2005. Here we review the nascent convergence of genetic and translational canine models of spontaneous disease, focusing on cancer. PMID:21439907

Triangular dislocation: an analytical, artefact-free solution

NASA Astrophysics Data System (ADS)

Nikkhoo, Mehdi; Walter, Thomas R.

2015-05-01

Displacements and stress-field changes associated with earthquakes, volcanoes, landslides and human activity are often simulated using numerical models in an attempt to understand the underlying processes and their governing physics. The application of elastic dislocation theory to these problems, however, may be biased because of numerical instabilities in the calculations. Here, we present a new method that is free of artefact singularities and numerical instabilities in analytical solutions for triangular dislocations (TDs) in both full-space and half-space. We apply the method to both the displacement and the stress fields. The entire 3-D Euclidean space {R}3 is divided into two complementary subspaces, in the sense that in each one, a particular analytical formulation fulfils the requirements for the ideal, artefact-free solution for a TD. The primary advantage of the presented method is that the development of our solutions involves neither numerical approximations nor series expansion methods. As a result, the final outputs are independent of the scale of the input parameters, including the size and position of the dislocation as well as its corresponding slip vector components. Our solutions are therefore well suited for application at various scales in geoscience, physics and engineering. We validate the solutions through comparison to other well-known analytical methods and provide the MATLAB codes.

Impact of aluminum doping on the thermo-physical properties of refractory medium-entropy alloys

NASA Astrophysics Data System (ADS)

Tian, Fuyang; Wang, Yang; Vitos, Levente

2017-01-01

We investigate the elastic moduli, ideal tensile strength, and thermodynamic properties of TiVNb and AlTiVNb refractory medium-entropy alloys (HEAs) by using ab initio alloy theories: the coherent potential approximation (CPA), the special quasi-random supercell (SQS), and a 432-atom supercell (SC). We find that with increasing number of alloy components, the SQS elastic constants become sensitive to the supercell size. The predicted elastic moduli are consistent with the available experiments. Aluminum doping decreases the stability of the body centered cubic phase. The ideal tensile strength calculation indicates that adding equiatomic Al to TiVNb random solid solution increases the intrinsic strength (ideal strain increase from 9.6% to 11.8%) and decreases the intrinsic strength (from 9.6 to 5.7 GPa). Based on the equation of states calculated by the CPA and SC methods, the thermodynamic properties obtained by the two ab initio methods are assessed. The L21 AlTiVNb (Ti-Al-V-Nb) alloy is predicted to be thermodynamically and dynamically stable with respect to the solid solution.

The effect of extreme ionization rates during the initial collapse of a molecular cloud core

NASA Astrophysics Data System (ADS)

Wurster, James; Bate, Matthew R.; Price, Daniel J.

2018-05-01

What cosmic ray ionization rate is required such that a non-ideal magnetohydrodynamics (MHD) simulation of a collapsing molecular cloud will follow the same evolutionary path as an ideal MHD simulation or as a purely hydrodynamics simulation? To investigate this question, we perform three-dimensional smoothed particle non-ideal MHD simulations of the gravitational collapse of rotating, one solar mass, magnetized molecular cloud cores, which include Ohmic resistivity, ambipolar diffusion, and the Hall effect. We assume a uniform grain size of ag = 0.1 μm, and our free parameter is the cosmic ray ionization rate, ζcr. We evolve our models, where possible, until they have produced a first hydrostatic core. Models with ζcr ≳ 10-13 s-1 are indistinguishable from ideal MHD models, and the evolution of the model with ζcr = 10-14 s-1 matches the evolution of the ideal MHD model within 1 per cent when considering maximum density, magnetic energy, and maximum magnetic field strength as a function of time; these results are independent of ag. Models with very low ionization rates (ζcr ≲ 10-24 s-1) are required to approach hydrodynamical collapse, and even lower ionization rates may be required for larger ag. Thus, it is possible to reproduce ideal MHD and purely hydrodynamical collapses using non-ideal MHD given an appropriate cosmic ray ionization rate. However, realistic cosmic ray ionization rates approach neither limit; thus, non-ideal MHD cannot be neglected in star formation simulations.

Comparative study of solar optics for paraboloidal concentrators

NASA Technical Reports Server (NTRS)

Wen, L.; Poon, P.; Carley, W.; Huang, L.

1979-01-01

Different analytical methods for computing the flux distribution on the focal plane of a paraboloidal solar concentrator are reviewed. An analytical solution in algebraic form is also derived for an idealized model. The effects resulting from using different assumptions in the definition of optical parameters used in these methodologies are compared and discussed in detail. These parameters include solar irradiance distribution (limb darkening and circumsolar), reflector surface specular spreading, surface slope error, and concentrator pointing inaccuracy. The type of computational method selected for use depends on the maturity of the design and the data available at the time the analysis is made.

Zonal flow as pattern formation

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

Parker, Jeffrey B.; Krommes, John A.

2013-10-15

Zonal flows are well known to arise spontaneously out of turbulence. We show that for statistically averaged equations of the stochastically forced generalized Hasegawa-Mima model, steady-state zonal flows, and inhomogeneous turbulence fit into the framework of pattern formation. There are many implications. First, the wavelength of the zonal flows is not unique. Indeed, in an idealized, infinite system, any wavelength within a certain continuous band corresponds to a solution. Second, of these wavelengths, only those within a smaller subband are linearly stable. Unstable wavelengths must evolve to reach a stable wavelength; this process manifests as merging jets.

Conductive heat transfer from an isothermal magma chamber and its application to the measured heat flow distribution from mount hood, Oregon

USGS Publications Warehouse

Nathenson, Menuel; Tilling, Robert I.; ,

1993-01-01

A steady-state solution for heat transfer from an isothermal, spherical magma chamber, with an imposed regional geothermal gradient far from the chamber, is developed. The extensive published heat-flow data set for Mount Hood, Oregon, is dominated by conductive heat transfer in the deeper parts of most drill holes and provides an ideal application of such a model. Magma-chamber volumes or depths needed to match the distribution of heat-flow data are larger or shallower than those inferred from geologic evidence.

Differential molar heat capacities to test ideal solubility estimations.

PubMed

Neau, S H; Bhandarkar, S V; Hellmuth, E W

1997-05-01

Calculation of the ideal solubility of a crystalline solute in a liquid solvent requires knowledge of the difference in the molar heat capacity at constant pressure of the solid and the supercooled liquid forms of the solute, delta Cp. Since this parameter is not usually known, two assumptions have been used to simplify the expression. The first is that delta Cp can be considered equal to zero; the alternate assumption is that the molar entropy of fusion, delta Sf, is an estimate of delta Cp. Reports claiming the superiority of one assumption over the other, on the basis of calculations done using experimentally determined parameters, have appeared in the literature. The validity of the assumptions in predicting the ideal solubility of five structurally unrelated compounds of pharmaceutical interest, with melting points in the range 420 to 470 K, was evaluated in this study. Solid and liquid heat capacities of each compound near its melting point were determined using differential scanning calorimetry. Linear equations describing the heat capacities were extrapolated to the melting point to generate the differential molar heat capacity. Linear data were obtained for both crystal and liquid heat capacities of sample and test compounds. For each sample, ideal solubility at 298 K was calculated and compared to the two estimates generated using literature equations based on the differential molar heat capacity assumptions. For the compounds studied, delta Cp was not negligible and was closer to delta Sf than to zero. However, neither of the two assumptions was valid for accurately estimating the ideal solubility as given by the full equation.

Correlation of the impedance and effective electrode area of doped PEDOT modified electrodes for brain-machine interfaces.

PubMed

Harris, Alexander R; Molino, Paul J; Kapsa, Robert M I; Clark, Graeme M; Paolini, Antonio G; Wallace, Gordon G

2015-05-07

Electrode impedance is used to assess the thermal noise and signal-to-noise ratio for brain-machine interfaces. An intermediate frequency of 1 kHz is typically measured, although other frequencies may be better predictors of device performance. PEDOT-PSS, PEDOT-DBSA and PEDOT-pTs conducting polymer modified electrodes have reduced impedance at 1 kHz compared to bare metal electrodes, but have no correlation with the effective electrode area. Analytical solutions to impedance indicate that all low-intermediate frequencies can be used to compare the electrode area at a series RC circuit, typical of an ideal metal electrode in a conductive solution. More complex equivalent circuits can be used for the modified electrodes, with a simplified Randles circuit applied to PEDOT-PSS and PEDOT-pTs and a Randles circuit including a Warburg impedance element for PEDOT-DBSA at 0 V. The impedance and phase angle at low frequencies using both equivalent circuit models is dependent on the electrode area. Low frequencies may therefore provide better predictions of the thermal noise and signal-to-noise ratio at modified electrodes. The coefficient of variation of the PEDOT-pTs impedance at low frequencies was lower than the other conducting polymers, consistent with linear and steady-state electroactive area measurements. There are poor correlations between the impedance and the charge density as they are not ideal metal electrodes.

Three-dimensional ideal theta(1)/theta(2) angular transformer and its uses in fiber optics.

PubMed

Ning, X

1988-10-01

A 3-D ideal theta(1)/theta(2) angular transformer in nonimaging optics is introduced. The axially symmetric transformer, combining a portion of a hyperbolic concentrator with two lenses, transforms an input limited Lambertian over an angle theta(1) to an output limited Lambertian over an angle theta(2) without losing throughput. This is the first known transformer with such ideal properties. Results of computer simulations of a transformer with planospherical lenses are presented. Because of its ideal angular transforming property, the transformer offers an excellent solution for power launching and fiber-fiber coupling in optical fiber systems. In principle, the theoretical maximum coupling efficiency based on radiance conservation can be achieved with this transformer. Several conceptual designs of source-fiber and fiber-fiber couplers using the transformer are given.

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

Soares Azevedo e Silva, Paulo Ricardo, E-mail: paulori@alunos.eel.usp.br; Baldan, Renato, E-mail: renato@ppgem.eel.usp.br; Nunes, Carlos Angelo, E-mail: cnunes@demar.eel.usp.br

MAR-M247 superalloy has excellent mechanical properties and good oxidation resistance at elevated temperatures. Niobium is an element known as {gamma} Prime phase hardener in nickel-based superalloys, besides promoting homogeneous distribution of MC carbides. This work is inserted in a project that aims to evaluate the total replacement of tantalum by niobium atoms in MAR-M247 superalloy (10.2 Co, 10.2 W, 8.5Cr, 5.6 Al, 1.6 Nb, 1.4 Hf, 1.1 Ti, 0.7 Mo, 0.15 C, 0.06 Zr, 0.015 B, Ni balance-wt.%). Based on microstructural characterizations (SEM and FEG-SEM, both with EDS) of the as-cast material and heat-treated materials as well as utilizing Thermocalcmore » simulations and experiments of differential thermal analysis (DTA), heat-treatment at 1260 Degree-Sign C for 8 h was chosen as an ideal condition for the solution of Nb-modified MAR-M247 superalloy. The hardness of as-cast and ideally solution treated materials was 390 {+-} 14 HV and 415 {+-} 6 HV, respectively. - Highlights: Black-Right-Pointing-Pointer DTA and microstructure of MAR-M247(Nb) showed a good agreement with Thermocalc. Black-Right-Pointing-Pointer An ideal condition for solution heat-treatment of MAR-M247(Nb) is 1260 Degree-Sign C for 8 h. Black-Right-Pointing-Pointer It was an observed evidence of incipient melting in samples heat-treated at 1280 Degree-Sign C.« less

Building on crossvalidation for increasing the quality of geostatistical modeling

USGS Publications Warehouse

Olea, R.A.

2012-01-01

The random function is a mathematical model commonly used in the assessment of uncertainty associated with a spatially correlated attribute that has been partially sampled. There are multiple algorithms for modeling such random functions, all sharing the requirement of specifying various parameters that have critical influence on the results. The importance of finding ways to compare the methods and setting parameters to obtain results that better model uncertainty has increased as these algorithms have grown in number and complexity. Crossvalidation has been used in spatial statistics, mostly in kriging, for the analysis of mean square errors. An appeal of this approach is its ability to work with the same empirical sample available for running the algorithms. This paper goes beyond checking estimates by formulating a function sensitive to conditional bias. Under ideal conditions, such function turns into a straight line, which can be used as a reference for preparing measures of performance. Applied to kriging, deviations from the ideal line provide sensitivity to the semivariogram lacking in crossvalidation of kriging errors and are more sensitive to conditional bias than analyses of errors. In terms of stochastic simulation, in addition to finding better parameters, the deviations allow comparison of the realizations resulting from the applications of different methods. Examples show improvements of about 30% in the deviations and approximately 10% in the square root of mean square errors between reasonable starting modelling and the solutions according to the new criteria. ?? 2011 US Government.

An advanced environment for hybrid modeling of biological systems based on modelica.

PubMed

Pross, Sabrina; Bachmann, Bernhard

2011-01-20

Biological systems are often very complex so that an appropriate formalism is needed for modeling their behavior. Hybrid Petri Nets, consisting of time-discrete Petri Net elements as well as continuous ones, have proven to be ideal for this task. Therefore, a new Petri Net library was implemented based on the object-oriented modeling language Modelica which allows the modeling of discrete, stochastic and continuous Petri Net elements by differential, algebraic and discrete equations. An appropriate Modelica-tool performs the hybrid simulation with discrete events and the solution of continuous differential equations. A special sub-library contains so-called wrappers for specific reactions to simplify the modeling process. The Modelica-models can be connected to Simulink-models for parameter optimization, sensitivity analysis and stochastic simulation in Matlab. The present paper illustrates the implementation of the Petri Net component models, their usage within the modeling process and the coupling between the Modelica-tool Dymola and Matlab/Simulink. The application is demonstrated by modeling the metabolism of Chinese Hamster Ovary Cells.

A Multidimensional Ideal Point Item Response Theory Model for Binary Data

ERIC Educational Resources Information Center

Maydeu-Olivares, Albert; Hernandez, Adolfo; McDonald, Roderick P.

2006-01-01

We introduce a multidimensional item response theory (IRT) model for binary data based on a proximity response mechanism. Under the model, a respondent at the mode of the item response function (IRF) endorses the item with probability one. The mode of the IRF is the ideal point, or in the multidimensional case, an ideal hyperplane. The model…

A mass-balanced definition of corrected retention volume in gas chromatography.

PubMed

Kurganov, A

2007-05-25

The mass balance equation of a chromatographic system using a compressible moving phase has been compiled for mass flow of the mobile phase instead of traditional volumetric flow allowing solution of the equation in an analytical form. The relation obtained correlates retention volume measured under ambient conditions with the partition coefficient of the solute. Compared to the relation in the ideal chromatographic system the equation derived contains an additional correction term accounting for the compressibility of the moving phase. When the retention volume is measured under the mean column pressure and column temperature the correction term is reduced to unit and the relation is simplified to those known for the ideal system. This volume according to International Union of Pure and Applied Chemistry (IUPAC) is called the corrected retention volume.

A parallel offline CFD and closed-form approximation strategy for computationally efficient analysis of complex fluid flows

NASA Astrophysics Data System (ADS)

Allphin, Devin

Computational fluid dynamics (CFD) solution approximations for complex fluid flow problems have become a common and powerful engineering analysis technique. These tools, though qualitatively useful, remain limited in practice by their underlying inverse relationship between simulation accuracy and overall computational expense. While a great volume of research has focused on remedying these issues inherent to CFD, one traditionally overlooked area of resource reduction for engineering analysis concerns the basic definition and determination of functional relationships for the studied fluid flow variables. This artificial relationship-building technique, called meta-modeling or surrogate/offline approximation, uses design of experiments (DOE) theory to efficiently approximate non-physical coupling between the variables of interest in a fluid flow analysis problem. By mathematically approximating these variables, DOE methods can effectively reduce the required quantity of CFD simulations, freeing computational resources for other analytical focuses. An idealized interpretation of a fluid flow problem can also be employed to create suitably accurate approximations of fluid flow variables for the purposes of engineering analysis. When used in parallel with a meta-modeling approximation, a closed-form approximation can provide useful feedback concerning proper construction, suitability, or even necessity of an offline approximation tool. It also provides a short-circuit pathway for further reducing the overall computational demands of a fluid flow analysis, again freeing resources for otherwise unsuitable resource expenditures. To validate these inferences, a design optimization problem was presented requiring the inexpensive estimation of aerodynamic forces applied to a valve operating on a simulated piston-cylinder heat engine. The determination of these forces was to be found using parallel surrogate and exact approximation methods, thus evidencing the comparative benefits of this technique. For the offline approximation, latin hypercube sampling (LHS) was used for design space filling across four (4) independent design variable degrees of freedom (DOF). Flow solutions at the mapped test sites were converged using STAR-CCM+ with aerodynamic forces from the CFD models then functionally approximated using Kriging interpolation. For the closed-form approximation, the problem was interpreted as an ideal 2-D converging-diverging (C-D) nozzle, where aerodynamic forces were directly mapped by application of the Euler equation solutions for isentropic compression/expansion. A cost-weighting procedure was finally established for creating model-selective discretionary logic, with a synthesized parallel simulation resource summary provided.

Examining the Process of Responding to Circumplex Scales of Interpersonal Values Items: Should Ideal Point Scoring Methods Be Considered?

PubMed

Ling, Ying; Zhang, Minqiang; Locke, Kenneth D; Li, Guangming; Li, Zonglong

2016-01-01

The Circumplex Scales of Interpersonal Values (CSIV) is a 64-item self-report measure of goals from each octant of the interpersonal circumplex. We used item response theory methods to compare whether dominance models or ideal point models best described how people respond to CSIV items. Specifically, we fit a polytomous dominance model called the generalized partial credit model and an ideal point model of similar complexity called the generalized graded unfolding model to the responses of 1,893 college students. The results of both graphical comparisons of item characteristic curves and statistical comparisons of model fit suggested that an ideal point model best describes the process of responding to CSIV items. The different models produced different rank orderings of high-scoring respondents, but overall the models did not differ in their prediction of criterion variables (agentic and communal interpersonal traits and implicit motives).

Variable Step Integration Coupled with the Method of Characteristics Solution for Water-Hammer Analysis, A Case Study

NASA Technical Reports Server (NTRS)

Turpin, Jason B.

2004-01-01

One-dimensional water-hammer modeling involves the solution of two coupled non-linear hyperbolic partial differential equations (PDEs). These equations result from applying the principles of conservation of mass and momentum to flow through a pipe, and usually the assumption that the speed at which pressure waves propagate through the pipe is constant. In order to solve these equations for the interested quantities (i.e. pressures and flow rates), they must first be converted to a system of ordinary differential equations (ODEs) by either approximating the spatial derivative terms with numerical techniques or using the Method of Characteristics (MOC). The MOC approach is ideal in that no numerical approximation errors are introduced in converting the original system of PDEs into an equivalent system of ODEs. Unfortunately this resulting system of ODEs is bound by a time step constraint so that when integrating the equations the solution can only be obtained at fixed time intervals. If the fluid system to be modeled also contains dynamic components (i.e. components that are best modeled by a system of ODEs), it may be necessary to take extremely small time steps during certain points of the model simulation in order to achieve stability and/or accuracy in the solution. Coupled together, the fixed time step constraint invoked by the MOC, and the occasional need for extremely small time steps in order to obtain stability and/or accuracy, can greatly increase simulation run times. As one solution to this problem, a method for combining variable step integration (VSI) algorithms with the MOC was developed for modeling water-hammer in systems with highly dynamic components. A case study is presented in which reverse flow through a dual-flapper check valve introduces a water-hammer event. The predicted pressure responses upstream of the check-valve are compared with test data.

Modeling meniscus rise in capillary tubes using fluid in rigid-body motion approach

NASA Astrophysics Data System (ADS)

Hamdan, Mohammad O.; Abu-Nabah, Bassam A.

2018-04-01

In this study, a new term representing net flux rate of linear momentum is introduced to Lucas-Washburn equation. Following a fluid in rigid-body motion in modeling the meniscus rise in vertical capillary tubes transforms the nonlinear Lucas-Washburn equation to a linear mass-spring-damper system. The linear nature of mass-spring-damper system with constant coefficients offers a nondimensional analytical solution where meniscus dynamics are dictated by two parameters, namely the system damping ratio and its natural frequency. This connects the numerous fluid-surface interaction physical and geometrical properties to rather two nondimensional parameters, which capture the underlying physics of meniscus dynamics in three distinct cases, namely overdamped, critically damped, and underdamped systems. Based on experimental data available in the literature and the understanding meniscus dynamics, the proposed model brings a new approach of understanding the system initial conditions. Accordingly, a closed form relation is produced for the imbibition velocity, which equals half of the Bosanquet velocity divided by the damping ratio. The proposed general analytical model is ideal for overdamped and critically damped systems. While for underdamped systems, the solution shows fair agreement with experimental measurements once the effective viscosity is determined. Moreover, the presented model shows meniscus oscillations around equilibrium height occur if the damping ratio is less than one.

Thermodynamics and kinetics of binary nucleation in ideal-gas mixtures.

PubMed

Alekseechkin, Nikolay V

2015-08-07

The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V̇≡dV/dt, ẋ, and Ṫ. The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for Ṫ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal.

Medical ethics and more: ideal theories, non-ideal theories and conscientious objection.

PubMed

Luna, Florencia

2015-01-01

Doing 'good medical ethics' requires acknowledgment that it is often practised in non-ideal circumstances! In this article I present the distinction between ideal theory (IT) and non-ideal theory (NIT). I show how IT may not be the best solution to tackle problems in non-ideal contexts. I sketch a NIT framework as a useful tool for bioethics and medical ethics and explain how NITs can contribute to policy design in non-ideal circumstances. Different NITs can coexist and be evaluated vis-à-vis the IT. Additionally, I address what an individual doctor ought to do in this non-ideal context with the view that knowledge of NITs can facilitate the decision-making process. NITs help conceptualise problems faced in the context of non-compliance and scarcity in a better and more realistic way. Deciding which policy is optimal in such contexts may influence physicians' decisions regarding their patients. Thus, this analysis-usually identified only with policy making-may also be relevant to medical ethics. Finally, I recognise that this is merely a first step in an unexplored but fundamental theoretical area and that more work needs to be done. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

New Mechanistic Models of Long Term Evolution of Microstructure and Mechanical Properties of Nickel Based Alloys

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

Kruzic, Jamie J.; Evans, T. Matthew; Greaney, P. Alex

The report describes the development of a discrete element method (DEM) based modeling approach to quantitatively predict deformation and failure of typical nickel based superalloys. A series of experimental data, including microstructure and mechanical property characterization at 600°C, was collected for a relatively simple, model solid solution Ni-20Cr alloy (Nimonic 75) to determine inputs for the model and provide data for model validation. Nimonic 75 was considered ideal for this study because it is a certified tensile and creep reference material. A series of new DEM modeling approaches were developed to capture the complexity of metal deformation, including cubic elasticmore » anisotropy and plastic deformation both with and without strain hardening. Our model approaches were implemented into a commercially available DEM code, PFC3D, that is commonly used by engineers. It is envisioned that once further developed, this new DEM modeling approach can be adapted to a wide range of engineering applications.« less

A Developed Meta-model for Selection of Cotton Fabrics Using Design of Experiments and TOPSIS Method

NASA Astrophysics Data System (ADS)

Chakraborty, Shankar; Chatterjee, Prasenjit

2017-12-01

Selection of cotton fabrics for providing optimal clothing comfort is often considered as a multi-criteria decision making problem consisting of an array of candidate alternatives to be evaluated based of several conflicting properties. In this paper, design of experiments and technique for order preference by similarity to ideal solution (TOPSIS) are integrated so as to develop regression meta-models for identifying the most suitable cotton fabrics with respect to the computed TOPSIS scores. The applicability of the adopted method is demonstrated using two real time examples. These developed models can also identify the statistically significant fabric properties and their interactions affecting the measured TOPSIS scores and final selection decisions. There exists good degree of congruence between the ranking patterns as derived using these meta-models and the existing methods for cotton fabric ranking and subsequent selection.

The Role of Different Plant Soil-Water Feedbacks in Models of Dryland Vegetation Patterns

NASA Astrophysics Data System (ADS)

Silber, M.; Bonetti, S.; Gandhi, P.; Gowda, K.; Iams, S.; Porporato, A. M.

2017-12-01

Understanding the processes underlying the formation of regular vegetation patterns in arid and semi-arid regions is important to assessing desertification risk under increasing anthropogenic pressure. Various modeling frameworks have been proposed, which are all capable of generating similar patterns through self-organizing mechanisms that stem from assumptions about plant feedbacks on surface/subsurface water transport. We critically discuss a hierarchy of hydrology-vegetation models for the coupled dynamics of surface water, soil moisture, and vegetation biomass on a hillslope. We identify distinguishing features and trends for the periodic traveling wave solutions when there is an imposed idealized topography and make some comparisons to satellite images of large-scale banded vegetation patterns in drylands of Africa, Australia and North America. This work highlights the potential for constraining models by considerations of where the patterns may lie on a landscape, such as whether on a ridge or in a valley.

Optimization of an angle-beam ultrasonic approach for characterization of impact damage in composites

NASA Astrophysics Data System (ADS)

Henry, Christine; Kramb, Victoria; Welter, John T.; Wertz, John N.; Lindgren, Eric A.; Aldrin, John C.; Zainey, David

2018-04-01

Advances in NDE method development are greatly improved through model-guided experimentation. In the case of ultrasonic inspections, models which provide insight into complex mode conversion processes and sound propagation paths are essential for understanding the experimental data and inverting the experimental data into relevant information. However, models must also be verified using experimental data obtained under well-documented and understood conditions. Ideally, researchers would utilize the model simulations and experimental approach to efficiently converge on the optimal solution. However, variability in experimental parameters introduce extraneous signals that are difficult to differentiate from the anticipated response. This paper discusses the results of an ultrasonic experiment designed to evaluate the effect of controllable variables on the anticipated signal, and the effect of unaccounted for experimental variables on the uncertainty in those results. Controlled experimental parameters include the transducer frequency, incidence beam angle and focal depth.

Analysis of all-frequency variational behavior of the Kirchhoff approximation for a classic surface-scattering model

NASA Technical Reports Server (NTRS)

Bird, J. F.

1985-01-01

In testing a stochastic variational principle at high frequencies by using a Kirchhoffean trial function in an idealized model for surface scattering - a randomly embossed plane - we have found not only the predicted high-frequency improvement but also an unexpected low-frequency improvement in the calculated scattering amplitudes. To investigate systematically the all-frequency variational behavior, we consider here the deterministic one-boss case - Rayleigh's classic model whose exact solution is available for comparison - over all wavelengths, polarizations, and configurations of incidence and scattering. We examine analytically in particular the long-wave limit of the variational-Kirchhoff amplitudes; the results demonstrate improvements in both wavelength and angle depedence for horizontal (TM) polarization and some variational improvements for vertical (TE) polarization. This low-frequency behavior in tandem with the foreseen high-frequency improvement leads to good variational-Kirchhoff results through the intermediate resonance-frequency regime for this model.

Simplified combustion noise theory yielding a prediction of fluctuating pressure level

NASA Technical Reports Server (NTRS)

Huff, R. G.

1984-01-01

The first order equations for the conservation of mass and momentum in differential form are combined for an ideal gas to yield a single second order partial differential equation in one dimension and time. Small perturbation analysis is applied. A Fourier transformation is performed that results in a second order, constant coefficient, nonhomogeneous equation. The driving function is taken to be the source of combustion noise. A simplified model describing the energy addition via the combustion process gives the required source information for substitution in the driving function. This enables the particular integral solution of the nonhomogeneous equation to be found. This solution multiplied by the acoustic pressure efficiency predicts the acoustic pressure spectrum measured in turbine engine combustors. The prediction was compared with the overall sound pressure levels measured in a CF6-50 turbofan engine combustor and found to be in excellent agreement.

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

Yulaev, Alexander; Guo, Hongxuan; Strelcov, Evgheni

Atomic-scale thickness, molecular impermeability, low atomic number, and mechanical strength make graphene an ideal electron-transparent membrane for material characterization in liquids and gases with scanning electron microscopy and spectroscopy. Here in this paper, we present a novel sample platform made of an array of thousands of identical isolated graphene-capped microchannels with high aspect ratio. A combination of a global wide field of view with high resolution local imaging of the array allows for high throughput in situ studies as well as for combinatorial screening of solutions, liquid interfaces, and immersed samples. We demonstrate the capabilities of this platform by studyingmore » a pure water sample in comparison with alkali halide solutions, a model electrochemical plating process, and beam-induced crystal growth in liquid electrolyte. Spectroscopic characterization of liquid interfaces and immersed objects with Auger and X-ray fluorescence analysis through the graphene membrane are also demonstrated.« less

Multiplicities and thermal runaway of current leads for superconducting magnets

NASA Astrophysics Data System (ADS)

Krikkis, Rizos N.

2017-04-01

The multiple solutions of conduction and vapor cooled copper leads modeling current delivery to a superconducting magnet have been numerically calculated. Both ideal convection and convection with a finite heat transfer coefficient for an imposed coolant mass flow rate have been considered. Because of the nonlinearities introduced by the temperature dependent material properties, two solutions exist, one stable and one unstable regardless of the cooling method. The limit points separating the stable form the unstable steady states form the blow-up threshold beyond which, any further increase in the operating current results in a thermal runway. An interesting finding is that the multiplicity persists even when the cold end temperature is raised above the liquid nitrogen temperature. The effect of various parameters such as the residual resistivity ratio, the overcurrent and the variable conductor cross section on the bifurcation structure and their stabilization effect on the blow-up threshold is also evaluated.

FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

NASA Astrophysics Data System (ADS)

Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

2012-11-01

In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

Solution NMR Spectroscopy for the Study of Enzyme Allostery

PubMed Central

Lisi, George P.; Loria, J. Patrick

2016-01-01

Allostery is a ubiquitous biological regulatory process in which distant binding sites within a protein or enzyme are functionally and thermodynamically coupled. Allosteric interactions play essential roles in many enzymological mechanisms, often facilitating formation of enzyme-substrate complexes and/or product release. Thus, elucidating the forces that drive allostery is critical to understanding the complex transformations of biomolecules. Currently, a number of models exist to describe allosteric behavior, taking into account energetics as well as conformational rearrangements and fluctuations. In the following review, we discuss the use of solution NMR techniques designed to probe allosteric mechanisms in enzymes. NMR spectroscopy is unequaled in its ability to detect structural and dynamical changes in biomolecules, and the case studies presented herein demonstrate the range of insights to be gained from this valuable method. We also provide a detailed technical discussion of several specialized NMR experiments that are ideally suited for the study of enzymatic allostery. PMID:26734986

Graphene Microcapsule Arrays for Combinatorial Electron Microscopy and Spectroscopy in Liquids

DOE PAGES

Yulaev, Alexander; Guo, Hongxuan; Strelcov, Evgheni; ...

2017-04-27

Atomic-scale thickness, molecular impermeability, low atomic number, and mechanical strength make graphene an ideal electron-transparent membrane for material characterization in liquids and gases with scanning electron microscopy and spectroscopy. Here in this paper, we present a novel sample platform made of an array of thousands of identical isolated graphene-capped microchannels with high aspect ratio. A combination of a global wide field of view with high resolution local imaging of the array allows for high throughput in situ studies as well as for combinatorial screening of solutions, liquid interfaces, and immersed samples. We demonstrate the capabilities of this platform by studyingmore » a pure water sample in comparison with alkali halide solutions, a model electrochemical plating process, and beam-induced crystal growth in liquid electrolyte. Spectroscopic characterization of liquid interfaces and immersed objects with Auger and X-ray fluorescence analysis through the graphene membrane are also demonstrated.« less

Diffusion and interactions of interstitials in hard-sphere interstitial solid solutions

NASA Astrophysics Data System (ADS)

van der Meer, Berend; Lathouwers, Emma; Smallenburg, Frank; Filion, Laura

2017-12-01

Using computer simulations, we study the dynamics and interactions of interstitial particles in hard-sphere interstitial solid solutions. We calculate the free-energy barriers associated with their diffusion for a range of size ratios and densities. By applying classical transition state theory to these free-energy barriers, we predict the diffusion coefficients, which we find to be in good agreement with diffusion coefficients as measured using event-driven molecular dynamics simulations. These results highlight that transition state theory can capture the interstitial dynamics in the hard-sphere model system. Additionally, we quantify the interactions between the interstitials. We find that, apart from excluded volume interactions, the interstitial-interstitial interactions are almost ideal in our system. Lastly, we show that the interstitial diffusivity can be inferred from the large-particle fluctuations alone, thus providing an empirical relationship between the large-particle fluctuations and the interstitial diffusivity.

Experimental Analysis of Displacements and Shears at the Surface on Contact between Two Loaded Bodies,

DTIC Science & Technology

1980-07-01

thin bars are extended. The complete solution is presented in graphs for the use of designers . The theoretical development is correlated with experiments...The concept of "coefficient of efficiency" is introduced to evaluate the degree of optimization. An ideal design of the inside boundary of a tube...efficiency coefficient is increased from 0.59 to 0.95. Tests with a brittle material show an increase in strength of 20Z. An ideal design of the boundary of

[The art of Leonardo Da Vinci as a resource to science and the ideal of nursing care].

PubMed

Nascimento, Maria Aparecida de Luca; de Brito, Isabela Jorge; Dehoul, Marcelo da Silva

2003-01-01

Theoretical reflection whose goal is to demonstrate the art a nursing team is required to show in order to perform a technical procedure for transfer of solutions from a normal vial to a microdrops vial, based on Leonardo Da Vinci's theoretical referential, inspired by his work called "Vitruvian Man", so that body harmony is kept. The authors emphasize its relationship to nursing care, viewing it from its broadest sense, and its own motto--"Science, Art and Ideal".

Illuminating the Potential of Thin-Film Photovoltaics

NASA Astrophysics Data System (ADS)

Katahara, John K.

Widespread adoption of photovoltaics (PV) as an alternative electricity source will be predicated upon improvements in price performance compared to traditional power sources. Solution processing of thin-film PV is one promising way to reduce the capital expenditure (CAPEX) of manufacturing solar cells. However, it is imperative that a shift to solution processing does not come at the expense of device performance. One particularly problematic parameter for thin-film PV has historically been the open-circuit voltage (VOC ). As such, there is a pressing need for characterization tools that allow us to quickly and accurately evaluate the potential performance of solution-processed PV absorber layers. This work describes recent progress in developing photoluminescence (PL) techniques for probing optoelectronic quality in semiconductors. We present a generalized model of absorption that encompasses ideal direct-gap semiconductor absorption and various band tail models. This powerful absorption model is used to fit absolute intensity PL data and extract quasi-Fermi level splitting (maximum attainable VOC) for a variety of PV absorber technologies. This technique obviates the need for full device fabrication to get feedback on optoelectronic quality of PV absorber layers and has expedited materials exploration. We then use this absorption model to evaluate the thermodynamic losses due to different band tail cases and estimate tail losses in Cu 2ZnSn(S,Se)4 (CZTSSe). The effect of sub-bandgap absorption on PL quantum yield (PLQY) and voltage is elucidated, and new analysis techniques for extracting VOC from PLQY are validated that reduce computation time and provide us even faster feedback on material quality. We then use PL imaging to develop a mechanism describing the degradation of solution-processed CH3NH3PbI3 films under applied bias and illumination.

A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

PubMed

Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro

2016-06-14

In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.

CFD analysis of thermally induced thermodynamic losses in the reciprocating compression and expansion of real gases

NASA Astrophysics Data System (ADS)

Taleb, Aly I.; Sapin, Paul; Barfuß, Christoph; Fabris, Drazen; Markides, Christos N.

2017-03-01

The efficiency of expanders is of prime importance in determining the overall performance of a variety of thermodynamic power systems, with reciprocating-piston expanders favoured at intermediate-scales of application (typically 10-100 kW). Once the mechanical losses in reciprocating machines are minimized (e.g. through careful valve design and operation), losses due to the unsteady thermal-energy exchange between the working fluid and the solid walls of the containing device can become the dominant loss mechanism. In this work, gas-spring devices are investigated numerically in order to focus explicitly on the thermodynamic losses that arise due to this unsteady heat transfer. The specific aim of the study is to investigate the behaviour of real gases in gas springs and to compare this to that of ideal gases in order to attain a better understanding of the impact of real-gas effects on the thermally induced losses in reciprocating expanders and compressors. A CFD-model of a gas spring is developed in OpenFOAM. Three different fluid models are compared: (1) an ideal-gas model with constant thermodynamic and transport properties; (2) an ideal-gas model with temperature-dependent properties; and (3) a real-gas model using the Peng-Robinson equation-of-state with temperature and pressure-dependent properties. Results indicate that, for simple, mono- and diatomic gases, like helium or nitrogen, there is a negligible difference in the pressure and temperature oscillations over a cycle between the ideal and real-gas models. However, when considering heavier (organic) molecules, such as propane, the ideal-gas model tends to overestimate the pressure compared to the real-gas model, especially if the temperature and pressure dependency of the thermodynamic properties is not taken into account. In fact, the ideal-gas model predicts higher pressures by as much as 25% (compared to the real-gas model). Additionally, both ideal-gas models underestimate the thermally induced loss compared to the real-gas model for heavier gases. This discrepancy is most pronounced at rotational speeds where the losses are highest. The real-gas model predicts a peak loss of 8.9% of the compression work, while the ideal-gas model predicts a peak loss of 5.7%. These differences in the work loss are due to the fact that the gas behaves less ideally during expansion than during compression, with the compressibility factor being lower during compression. This behaviour cannot be captured with the ideal-gas law. It is concluded that real-gas effects must be taken into account in order to predict accurately the thermally induced loss mechanism when using heavy fluid molecules in such devices.

Nonlinear Dynamics of Non-uniform Current-Vortex Sheets in Magnetohydrodynamic Flows

NASA Astrophysics Data System (ADS)

Matsuoka, C.; Nishihara, K.; Sano, T.

2017-04-01

A theoretical model is proposed to describe fully nonlinear dynamics of interfaces in two-dimensional MHD flows based on an idea of non-uniform current-vortex sheet. Application of vortex sheet model to MHD flows has a crucial difficulty because of non-conservative nature of magnetic tension. However, it is shown that when a magnetic field is initially parallel to an interface, the concept of vortex sheet can be extended to MHD flows (current-vortex sheet). Two-dimensional MHD flows are then described only by a one-dimensional Lagrange parameter on the sheet. It is also shown that bulk magnetic field and velocity can be calculated from their values on the sheet. The model is tested by MHD Richtmyer-Meshkov instability with sinusoidal vortex sheet strength. Two-dimensional ideal MHD simulations show that the nonlinear dynamics of a shocked interface with density stratification agrees fairly well with that for its corresponding potential flow. Numerical solutions of the model reproduce properly the results of the ideal MHD simulations, such as the roll-up of spike, exponential growth of magnetic field, and its saturation and oscillation. Nonlinear evolution of the interface is found to be determined by the Alfvén and Atwood numbers. Some of their dependence on the sheet dynamics and magnetic field amplification are discussed. It is shown by the model that the magnetic field amplification occurs locally associated with the nonlinear dynamics of the current-vortex sheet. We expect that our model can be applicable to a wide variety of MHD shear flows.

Comparison of particle tracking algorithms in commercial CFD packages: sedimentation and diffusion.

PubMed

Robinson, Risa J; Snyder, Pam; Oldham, Michael J

2007-05-01

Computational fluid dynamic modeling software has enabled microdosimetry patterns of inhaled toxins and toxicants to be predicted and visualized, and is being used in inhalation toxicology and risk assessment. These predicted microdosimetry patterns in airway structures are derived from predicted airflow patterns within these airways and particle tracking algorithms used in computational fluid dynamics (CFD) software packages. Although these commercial CFD codes have been tested for accuracy under various conditions, they have not been well tested for respiratory flows in general. Nor has their particle tracking algorithm accuracy been well studied. In this study, three software packages, Fluent Discrete Phase Model (DPM), Fluent Fine Particle Model (FPM), and ANSYS CFX, were evaluated. Sedimentation and diffusion were each isolated in a straight tube geometry and tested for accuracy. A range of flow rates corresponding to adult low activity (minute ventilation = 10 L/min) and to heavy exertion (minute ventilation = 60 L/min) were tested by varying the range of dimensionless diffusion and sedimentation parameters found using the Weibel symmetric 23 generation lung morphology. Numerical results for fully developed parabolic and uniform (slip) profiles were compared respectively, to Pich (1972) and Yu (1977) analytical sedimentation solutions. Schum and Yeh (1980) equations for sedimentation were also compared. Numerical results for diffusional deposition were compared to analytical solutions of Ingham (1975) for parabolic and uniform profiles. Significant differences were found among the various CFD software packages and between numerical and analytical solutions. Therefore, it is prudent to validate CFD predictions against analytical solutions in idealized geometry before tackling the complex geometries of the respiratory tract.

Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials

NASA Astrophysics Data System (ADS)

Gresch, Dominik; Autès, Gabriel; Yazyev, Oleg V.; Troyer, Matthias; Vanderbilt, David; Bernevig, B. Andrei; Soluyanov, Alexey A.

2017-02-01

The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but often challenging, problem, with no exhaustive solution at the present time. In this work we compile a series of techniques, some previously known, that allow for a solution to this problem for a large set of the possible band topologies. The method is based on tracking hybrid Wannier charge centers computed for relevant Bloch states, and it works at all levels of materials modeling: continuous k .p models, tight-binding models, and ab initio calculations. We apply the method to compute and identify Chern, Z2, and crystalline topological insulators, as well as topological semimetal phases, using real material examples. Moreover, we provide a numerical implementation of this technique (the Z2Pack software package) that is ideally suited for high-throughput screening of materials databases for compounds with nontrivial topologies. We expect that our work will allow researchers to (a) identify topological materials optimal for experimental probes, (b) classify existing compounds, and (c) reveal materials that host novel, not yet described, topological states.

FDTD method and models in optical education

NASA Astrophysics Data System (ADS)

Lin, Xiaogang; Wan, Nan; Weng, Lingdong; Zhu, Hao; Du, Jihe

2017-08-01

In this paper, finite-difference time-domain (FDTD) method has been proposed as a pedagogical way in optical education. Meanwhile, FDTD solutions, a simulation software based on the FDTD algorithm, has been presented as a new tool which helps abecedarians to build optical models and to analyze optical problems. The core of FDTD algorithm is that the time-dependent Maxwell's equations are discretized to the space and time partial derivatives, and then, to simulate the response of the interaction between the electronic pulse and the ideal conductor or semiconductor. Because the solving of electromagnetic field is in time domain, the memory usage is reduced and the simulation consequence on broadband can be obtained easily. Thus, promoting FDTD algorithm in optical education is available and efficient. FDTD enables us to design, analyze and test modern passive and nonlinear photonic components (such as bio-particles, nanoparticle and so on) for wave propagation, scattering, reflection, diffraction, polarization and nonlinear phenomena. The different FDTD models can help teachers and students solve almost all of the optical problems in optical education. Additionally, the GUI of FDTD solutions is so friendly to abecedarians that learners can master it quickly.

Time-dependent solution for axisymmetric flow over a blunt body with ideal gas, CF4, or equilibrium air chemistry

NASA Technical Reports Server (NTRS)

Hamilton, H. H., II; Spall, J. R.

1986-01-01

A time-asymptotic method has been used to obtain steady-flow solutions for axisymmetric inviscid flow over several blunt bodies including spheres, paraboloids, ellipsoids, and spherically blunted cones. Comparisons with experimental data and results of other computational methods have demonstrated that accurate solutions can be obtained using this approach. The method should prove useful as an analysis tool for comparing with experimental data and for making engineering calculations for blunt reentry vehicles.

Time-dependent solution for axisymmetric flow over a blunt body with ideal gas, CF4, or equilibrium air chemistry

NASA Astrophysics Data System (ADS)

Hamilton, H. H., II; Spall, J. R.

1986-07-01

A time-asymptotic method has been used to obtain steady-flow solutions for axisymmetric inviscid flow over several blunt bodies including spheres, paraboloids, ellipsoids, and spherically blunted cones. Comparisons with experimental data and results of other computational methods have demonstrated that accurate solutions can be obtained using this approach. The method should prove useful as an analysis tool for comparing with experimental data and for making engineering calculations for blunt reentry vehicles.

Real gas flow fields about three dimensional configurations

NASA Technical Reports Server (NTRS)

Balakrishnan, A.; Lombard, C. K.; Davy, W. C.

1983-01-01

Real gas, inviscid supersonic flow fields over a three-dimensional configuration are determined using a factored implicit algorithm. Air in chemical equilibrium is considered and its local thermodynamic properties are computed by an equilibrium composition method. Numerical solutions are presented for both real and ideal gases at three different Mach numbers and at two different altitudes. Selected results are illustrated by contour plots and are also tabulated for future reference. Results obtained compare well with existing tabulated numerical solutions and hence validate the solution technique.

Optimizing a multi-product closed-loop supply chain using NSGA-II, MOSA, and MOPSO meta-heuristic algorithms

NASA Astrophysics Data System (ADS)

Babaveisi, Vahid; Paydar, Mohammad Mahdi; Safaei, Abdul Sattar

2018-07-01

This study aims to discuss the solution methodology for a closed-loop supply chain (CLSC) network that includes the collection of used products as well as distribution of the new products. This supply chain is presented on behalf of the problems that can be solved by the proposed meta-heuristic algorithms. A mathematical model is designed for a CLSC that involves three objective functions of maximizing the profit, minimizing the total risk and shortages of products. Since three objective functions are considered, a multi-objective solution methodology can be advantageous. Therefore, several approaches have been studied and an NSGA-II algorithm is first utilized, and then the results are validated using an MOSA and MOPSO algorithms. Priority-based encoding, which is used in all the algorithms, is the core of the solution computations. To compare the performance of the meta-heuristics, random numerical instances are evaluated by four criteria involving mean ideal distance, spread of non-dominance solution, the number of Pareto solutions, and CPU time. In order to enhance the performance of the algorithms, Taguchi method is used for parameter tuning. Finally, sensitivity analyses are performed and the computational results are presented based on the sensitivity analyses in parameter tuning.

Optimizing a multi-product closed-loop supply chain using NSGA-II, MOSA, and MOPSO meta-heuristic algorithms

NASA Astrophysics Data System (ADS)

Babaveisi, Vahid; Paydar, Mohammad Mahdi; Safaei, Abdul Sattar

2017-07-01

This study aims to discuss the solution methodology for a closed-loop supply chain (CLSC) network that includes the collection of used products as well as distribution of the new products. This supply chain is presented on behalf of the problems that can be solved by the proposed meta-heuristic algorithms. A mathematical model is designed for a CLSC that involves three objective functions of maximizing the profit, minimizing the total risk and shortages of products. Since three objective functions are considered, a multi-objective solution methodology can be advantageous. Therefore, several approaches have been studied and an NSGA-II algorithm is first utilized, and then the results are validated using an MOSA and MOPSO algorithms. Priority-based encoding, which is used in all the algorithms, is the core of the solution computations. To compare the performance of the meta-heuristics, random numerical instances are evaluated by four criteria involving mean ideal distance, spread of non-dominance solution, the number of Pareto solutions, and CPU time. In order to enhance the performance of the algorithms, Taguchi method is used for parameter tuning. Finally, sensitivity analyses are performed and the computational results are presented based on the sensitivity analyses in parameter tuning.

Structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis and insights into its solution state

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

Jacques, David A.; Streamer, Margaret; Rowland, Susan L.

2009-06-01

The crystal structure of Sda, a DNA-replication/damage checkpoint inhibitor of sporulation in B. subtilis, has been solved via the MAD method. The subunit arrangement in the crystal has enabled a reappraisal of previous biophysical data, resulting in a new model for the behaviour of the protein in solution. The crystal structure of the DNA-damage checkpoint inhibitor of sporulation, Sda, from Bacillus subtilis, has been solved by the MAD technique using selenomethionine-substituted protein. The structure closely resembles that previously solved by NMR, as well as the structure of a homologue from Geobacillus stearothermophilus solved in complex with the histidine kinase KinB.more » The structure contains three molecules in the asymmetric unit. The unusual trimeric arrangement, which lacks simple internal symmetry, appears to be preserved in solution based on an essentially ideal fit to previously acquired scattering data for Sda in solution. This interpretation contradicts previous findings that Sda was monomeric or dimeric in solution. This study demonstrates the difficulties that can be associated with the characterization of small proteins and the value of combining multiple biophysical techniques. It also emphasizes the importance of understanding the physical principles behind these techniques and therefore their limitations.« less

Mediators of the relationship between thin-ideal internalization and body dissatisfaction in the natural environment.

PubMed

Fitzsimmons-Craft, Ellen E; Bardone-Cone, Anna M; Crosby, Ross D; Engel, Scott G; Wonderlich, Stephen A; Bulik, Cynthia M

2016-09-01

Social comparisons (i.e., body, eating, exercise) and body surveillance were tested as mediators of the thin-ideal internalization-body dissatisfaction relationship using ecological momentary assessment (EMA). Participants were 232 college women who completed a 2-week EMA protocol, responding to questions three times per day. Multilevel path analysis was used to examine a 2-1-1 mediation model (thin-ideal internalization assessed as trait; between-person effects examined) and a 1-1-1 model (component of thin-ideal internalization [thin-ideal importance] assessed momentarily; within- and between-person effects examined). For the 2-1-1 model, only body comparison and body surveillance were significant specific mediators of the between-person effect. For the 1-1-1 model, all four variables were significant specific mediators of the within-person effect. Only body comparison was a significant specific mediator of the between-person effect. At the state level, many processes explain the thin-ideal internalization-body dissatisfaction relationship. However, at the trait level, body comparison and body surveillance are more important explanatory factors. Copyright © 2016 Elsevier Ltd. All rights reserved.

Mediators of the Relationship Between Thin-Ideal Internalization and Body Dissatisfaction in the Natural Environment

PubMed Central

Fitzsimmons-Craft, Ellen E.; Bardone-Cone, Anna M.; Crosby, Ross D.; Engel, Scott G.; Wonderlich, Stephen A.; Bulik, Cynthia M.

2016-01-01

Social comparisons (i.e., body, eating, exercise) and body surveillance were tested as mediators of the thin-ideal internalization-body dissatisfaction relationship using ecological momentary assessment (EMA). Participants were 232 college women who completed a 2-week EMA protocol, responding to questions three times per day. Multilevel path analysis was used to examine a 2-1-1 mediation model (thin-ideal internalization assessed as trait; between-person effects examined) and a 1-1-1 model (component of thin-ideal internalization [thin-ideal importance] assessed momentarily; within- and between-person effects examined). For the 2-1-1 model, only body comparison and body surveillance were significant specific mediators of the between-person effect. For the 1-1-1 model, all four variables were significant specific mediators of the within-person effect. Only body comparison was a significant specific mediator of the between-person effect. At the state level, many processes explain the thin-ideal internalization-body dissatisfaction relationship. However, at the trait level, body comparison and body surveillance are more important explanatory factors. PMID:27391791

Effect of Magnetic Fields on g-jitter Induced Convection and Solute Striation During Space Processing of Single Crystals

NASA Technical Reports Server (NTRS)

deGroh, H. C.; Li, K.; Li, B. Q.

2002-01-01

A 2-D finite element model is presented for the melt growth of single crystals in a microgravity environment with a superimposed DC magnetic field. The model is developed based on the deforming finite element methodology and is capable of predicting the phenomena of the steady and transient convective flows, heat transfer, solute distribution, and solid-liquid interface morphology associated with the melt growth of single crystals in microgravity with and without an applied magnetic field. Numerical simulations were carried out for a wide range of parameters including idealized microgravity conditions, the synthesized g-jitter and the real g-jitter data taken by on-board accelerometers during space flights. The results reveal that the time varying g-jitter disturbances, although small in magnitude, cause an appreciable convective flow in the liquid pool, which in turn produces detrimental effects during the space processing of single crystal growth. An applied magnetic field of appropriate strength, superimposed on microgravity, can be very effective in suppressing the deleterious effects resulting from the g-jitter disturbances.

Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions

PubMed Central

Yin, De-Wei; Horkay, Ferenc; Douglas, Jack F.; de Pablo, Juan J.

2008-01-01

Permanently crosslinked polyelectrolyte gels are known to undergo discontinuous first-order volume phase transitions, the onset of which may be caused by a number of factors. In this study we examine the volumetric properties of such polyelectrolyte gels in relation to the progressive substitution of monovalent counterions by divalent counterions as the gels are equilibrated in solvents of different dielectric qualities. We compare the results of coarse-grained molecular dynamics simulations of polyelectrolyte gels with previous experimental measurements by others on polyacrylate gels. The simulations show that under equilibrium conditions there is an approximate cancellation between the electrostatic contribution and the counterion excluded-volume contribution to the osmotic pressure in the gel-solvent system; these two contributions to the osmotic pressure have, respectively, energetic and entropic origins. The finding of such a cancellation between the two contributions to the osmotic pressure of the gel-solvent system is consistent with experimental observations that the swelling behavior of polyelectrolyte gels can be described by equations of state for neutral gels. Based on these results, we show and explain that a modified form of the Flory–Huggins model for nonionic polymer solutions, which accounts for neither electrostatic effects nor counterion excluded-volume effects, fits both experimental and simulated data for polyelectrolyte gels. The Flory–Huggins interaction parameters obtained from regression to the simulation data are characteristic of ideal polymer solutions, whereas the experimentally obtained interaction parameters, particularly that associated with the third virial coefficient, exhibit a significant departure from ideality, leading us to conclude that further enhancements to the simulation model, such as the inclusion of excess salt, the allowance for size asymmetric electrolytes, or the use of a distance-dependent solvent dielectricity model, may be required. Molecular simulations also reveal that the condensation of divalent counterions onto the polyelectrolyte network backbone occurs preferentially over that of monovalent counterions. PMID:19045224

Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions.

PubMed

Yin, De-Wei; Horkay, Ferenc; Douglas, Jack F; de Pablo, Juan J

2008-10-21

Permanently crosslinked polyelectrolyte gels are known to undergo discontinuous first-order volume phase transitions, the onset of which may be caused by a number of factors. In this study we examine the volumetric properties of such polyelectrolyte gels in relation to the progressive substitution of monovalent counterions by divalent counterions as the gels are equilibrated in solvents of different dielectric qualities. We compare the results of coarse-grained molecular dynamics simulations of polyelectrolyte gels with previous experimental measurements by others on polyacrylate gels. The simulations show that under equilibrium conditions there is an approximate cancellation between the electrostatic contribution and the counterion excluded-volume contribution to the osmotic pressure in the gel-solvent system; these two contributions to the osmotic pressure have, respectively, energetic and entropic origins. The finding of such a cancellation between the two contributions to the osmotic pressure of the gel-solvent system is consistent with experimental observations that the swelling behavior of polyelectrolyte gels can be described by equations of state for neutral gels. Based on these results, we show and explain that a modified form of the Flory-Huggins model for nonionic polymer solutions, which accounts for neither electrostatic effects nor counterion excluded-volume effects, fits both experimental and simulated data for polyelectrolyte gels. The Flory-Huggins interaction parameters obtained from regression to the simulation data are characteristic of ideal polymer solutions, whereas the experimentally obtained interaction parameters, particularly that associated with the third virial coefficient, exhibit a significant departure from ideality, leading us to conclude that further enhancements to the simulation model, such as the inclusion of excess salt, the allowance for size asymmetric electrolytes, or the use of a distance-dependent solvent dielectricity model, may be required. Molecular simulations also reveal that the condensation of divalent counterions onto the polyelectrolyte network backbone occurs preferentially over that of monovalent counterions.

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

Henzler, Katja; Fetisov, Evgenii O.; Galib, Mirza

We will present a description of nucleation phenomena in the condensed phase that takes into account non-ideal solution effects associated with cluster-cluster interaction. To do this we employ aggregation-volume bias Monte Carlo simulation, making the estimation of free-energy of large pre-critical clusters of sizes 10-20 tractable. We will compare and contrast empirical potential and electronic structure (e.g. Density functional theory) based descriptions of molecular interaction associated with the nucleation of CaCO3, highlighting free-energy trends and qualitative differences in populations of pre-critical clusters as a function of supersaturation. The influence of how the precise local interaction influences the non-ideal solution behaviormore » on the nucleation and growth processes will be highlighted. This research was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.« less

Exploring Several Methods of Groundwater Model Selection

NASA Astrophysics Data System (ADS)

Samani, Saeideh; Ye, Ming; Asghari Moghaddam, Asghar

2017-04-01

Selecting reliable models for simulating groundwater flow and solute transport is essential to groundwater resources management and protection. This work is to explore several model selection methods for avoiding over-complex and/or over-parameterized groundwater models. We consider six groundwater flow models with different numbers (6, 10, 10, 13, 13 and 15) of model parameters. These models represent alternative geological interpretations, recharge estimates, and boundary conditions at a study site in Iran. The models were developed with Model Muse, and calibrated against observations of hydraulic head using UCODE. Model selection was conducted by using the following four approaches: (1) Rank the models using their root mean square error (RMSE) obtained after UCODE-based model calibration, (2) Calculate model probability using GLUE method, (3) Evaluate model probability using model selection criteria (AIC, AICc, BIC, and KIC), and (4) Evaluate model weights using the Fuzzy Multi-Criteria-Decision-Making (MCDM) approach. MCDM is based on the fuzzy analytical hierarchy process (AHP) and fuzzy technique for order performance, which is to identify the ideal solution by a gradual expansion from the local to the global scale of model parameters. The KIC and MCDM methods are superior to other methods, as they consider not only the fit between observed and simulated data and the number of parameter, but also uncertainty in model parameters. Considering these factors can prevent from occurring over-complexity and over-parameterization, when selecting the appropriate groundwater flow models. These methods selected, as the best model, one with average complexity (10 parameters) and the best parameter estimation (model 3).

"The part of me that you bring out": ideal similarity and the Michelangelo phenomenon.

PubMed

Rusbult, Caryl E; Kumashiro, Madoka; Kubacka, Kaska E; Finkel, Eli J

2009-01-01

This work examines the Michelangelo phenomenon, an interpersonal model of the means by which people move closer to (vs. further from) their ideal selves. The authors propose that partner similarity--similarity to the ideal self, in particular--plays an important role in this process. Across 4 studies employing diverse designs and measurement techniques, they observed consistent evidence that when partners possess key elements of one another's ideal selves, each person affirms the other by eliciting important aspects of the other's ideals, each person moves closer to his or her ideal self, and couple well-being is enhanced. Partner similarity to the actual self also accounts for unique variance in key elements of this model. The associations of ideal similarity and actual similarity with couple well-being are fully attributable to the Michelangelo process, to partner affirmation and target movement toward the ideal self. The authors also performed auxiliary analyses to rule out several alternative interpretations of these findings.

The Scaling Group of the 1-D Invisicid Euler Equations

NASA Astrophysics Data System (ADS)

Schmidt, Emma; Ramsey, Scott; Boyd, Zachary; Baty, Roy

2017-11-01

The one dimensional (1-D) compressible Euler equations in non-ideal media support scale invariant solutions under a variety of initial conditions. Famous scale invariant solutions include the Noh, Sedov, Guderley, and collapsing cavity hydrodynamic test problems. We unify many classical scale invariant solutions under a single scaling group analysis. The scaling symmetry group generator provides a framework for determining all scale invariant solutions emitted by the 1-D Euler equations for arbitrary geometry, initial conditions, and equation of state. We approach the Euler equations from a geometric standpoint, and conduct scaling analyses for a broad class of materials.

Automatic protein structure solution from weak X-ray data

NASA Astrophysics Data System (ADS)

Skubák, Pavol; Pannu, Navraj S.

2013-11-01

Determining new protein structures from X-ray diffraction data at low resolution or with a weak anomalous signal is a difficult and often an impossible task. Here we propose a multivariate algorithm that simultaneously combines the structure determination steps. In tests on over 140 real data sets from the protein data bank, we show that this combined approach can automatically build models where current algorithms fail, including an anisotropically diffracting 3.88 Å RNA polymerase II data set. The method seamlessly automates the process, is ideal for non-specialists and provides a mathematical framework for successfully combining various sources of information in image processing.

A Darker Shade of Love: Machiavellianism and Positive Assortative Mating Based on Romantic Ideals

PubMed Central

Ináncsi, Tamás; Láng, András; Bereczkei, Tamás

2016-01-01

Machiavellianism is a personality trait that is characterized by manipulative and exploitative attitude toward others, lack of empathy, and a cynical view of human nature. In itself or as part of the Dark Triad it has been the target of several studies investigating romantic relations. Nevertheless, the relationship between Machiavellianism and romantic ideals has not been revealed yet. An undergraduate sample of 143 (92 females) with an average age of 19.83 years (SD = 1.51 years) filled out self-report measures of Machiavellianism (Mach-IV Scale) and romantic ideals (Ideal Standards Scale and NEO-FFI-IDEAL). According to our results, Machiavellianism correlated negatively with the importance of partner’s warmth-trustworthiness, extraversion, openness, agreeableness, and with the importance of intimacy and loyalty in their ideal relationships. Machiavellianism correlated positively with the ideal partner’s possession over status and resources. Explorative factor analysis revealed three components of ideal partner’s characteristics. Machiavellianism loaded significantly on two out of three components. Results are discussed with regard to Ideal Standards Model and the Big Five model of personality. PMID:27247697

Establishment of Donor Chimerism Using Allogeneic Bone Marrow with AMP Cell Co-infusion

DTIC Science & Technology

2016-09-01

specific immunosuppression. Induction of tolerance to the CTA is the ideal solution. Combined mixed allogeneic chimerism induction and kidney ...transplantation has been shown to induce robust tolerance to the kidney allograft despite transient mixed chimerism in non-human primates and humans...solution. Mixed chimerism induction via hematopoietic cell transplantation (HCT) has been shown to facilitate tolerance induction to kidney allografts

Influence of Lumber Volume Maximization on Value in Sawing Hardwood Sawlogs

Treesearch

Philip H. Steele; Francis G. Wagner; Lalit Kumar; Philip A. Araman

1992-01-01

Research based on applying volume-maximizing sawing solutions to idealized hardwood log forms has shown that average lumber yield can be increased by 6 percent. It is possible, however, that a lumber volume-maximizing solution may result in a decrease in lumber grade and a net reduction in total value of sawn lumber. The objective of this study was to determine the...

A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

DOE PAGES

Allu, S.; Kalnaus, S.; Simunovic, S.; ...

2016-06-09

Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allowsmore » for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.« less

A Model of the Pulsating Extremely Low-mass White Dwarf Precursor WASP 0247-25B

NASA Astrophysics Data System (ADS)

Istrate, A. G.; Fontaine, G.; Heuser, C.

2017-10-01

We present an analysis of the evolutionary and pulsation properties of the extremely low-mass white dwarf precursor (B) component of the double-lined eclipsing system WASP 0247-25. Given that the fundamental parameters of that star have been obtained previously at a unique level of precision, WASP 0247-25B represents the ideal case for testing evolutionary models of this newly found category of pulsators. Taking into account the known constraints on the mass, orbital period, effective temperature, surface gravity, and atmospheric composition, we present a model that is compatible with these constraints and show pulsation modes that have periods very close to the observed values. Importantly, these modes are predicted to be excited. Although the overall consistency remains perfectible, the observable properties of WASP 0247-25B are closely reproduced. A key ingredient of our binary evolutionary models is represented by rotational mixing as the main competitor against gravitational settling. Depending on assumptions made about the values of the degree index ℓ for the observed pulsation modes, we found three possible seismic solutions. We discuss two tests, rotational splitting and multicolor photometry, that should readily identify the modes and discriminate between these solutions. However, this will require improved temporal resolution and higher S/N observations, which are currently unavailable.

Phast4Windows: A 3D graphical user interface for the reactive-transport simulator PHAST

USGS Publications Warehouse

Charlton, Scott R.; Parkhurst, David L.

2013-01-01

Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties—the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones—and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport.

Burnett-Cattaneo continuum theory for shock waves.

PubMed

Holian, Brad Lee; Mareschal, Michel; Ravelo, Ramon

2011-02-01

We model strong shock-wave propagation, both in the ideal gas and in the dense Lennard-Jones fluid, using a refinement of earlier work, which accounts for the cold compression in the early stages of the shock rise by a nonlinear, Burnett-like, strain-rate dependence of the thermal conductivity, and relaxation of kinetic-temperature components on the hot, compressed side of the shock front. The relaxation of the disequilibrium among the three components of the kinetic temperature, namely, the difference between the component in the direction of a planar shock wave and those in the transverse directions, particularly in the region near the shock front, is accomplished at a much more quantitative level by a rigorous application of the Cattaneo-Maxwell relaxation equation to a reference solution, namely, the steady shock-wave solution of linear Navier-Stokes-Fourier theory, along with the nonlinear Burnett heat-flux term. Our new continuum theory is in nearly quantitative agreement with nonequilibrium molecular-dynamics simulations under strong shock-wave conditions, using relaxation parameters obtained from the reference solution. ©2011 American Physical Society

Oblique impact of dense granular sheets

NASA Astrophysics Data System (ADS)

Ellowitz, Jake; Guttenberg, Nicholas; Jaeger, Heinrich M.; Nagel, Sidney R.; Zhang, Wendy W.

2013-11-01

Motivated by experiments showing impacts of granular jets with non-circular cross sections produce thin ejecta sheets with anisotropic shapes, we study what happens when two sheets containing densely packed, rigid grains traveling at the same speed collide asymmetrically. Discrete particle simulations and a continuum frictional fluid model yield the same steady-state solution of two exit streams emerging from incident streams. When the incident angle Δθ is less than Δθc =120° +/-10° , the exit streams' angles differ from that measured in water sheet experiments. Below Δθc , the exit angles from granular and water sheet impacts agree. This correspondence is surprising because 2D Euler jet impact, the idealization relevant for both situations, is ill posed: a generic Δθ value permits a continuous family of solutions. Our finding that granular and water sheet impacts evolve into the same member of the solution family suggests previous proposals that perturbations such as viscous drag, surface tension or air entrapment select the actual outcome are not correct. Currently at Department of Physics, University of Oregon, Eugene, OR 97403.

Bayesian Ideal Types: Integration of Psychometric Data for Visually Impaired Persons.

ERIC Educational Resources Information Center

Jones, W. P.

1991-01-01

A model is proposed for the clinical synthesis of data from psychological tests of persons with visual impairments. The model integrates the concepts of the ideal type and Bayesian probability and compares actual test scores with ideal scores through use of a pattern similarity coefficient. A pilot study with Business Enterprise Program operators…

Formation of Ordered Arrays of Proteins on Surfaces

NASA Technical Reports Server (NTRS)

Lenhoff, A. M.

1996-01-01

Van der Waals (dispersion) forces contribute to interactions of proteins with other molecules or with surfaces, but because of the structural complexity of protein molecules, the magnitude of these effects is usually estimated based on idealized models of the molecular geometry, e.g., spheres or spheroids. The calculations reported here seek to account for both the geometric irregularity of protein molecules and the material properties of the interacting media. While the latter are found to fall in the generally accepted range, the molecular shape is shown to cause the magnitudes of the interactions to differ significantly from those calculated using idealized models, with important consequences. First, the roughness of the molecular surface leads to much lower average interaction energies for both protein-protein and protein-surface cases relative to calculations in which the protein molecule is approximated as a sphere. These results indicate that a form of steric stabilization may be an important effect in protein solutions. Underlying this behavior is appreciable orientational dependence, one reflection of which is that molecules of complementary shape are found to exhibit very strong attractive dispersion interactions. Although this has been widely discussed previously in the context of molecular recognition processes, the broader implications of these phenomena may also be important at larger molecular separations, e.g., in the dynamics of aggregation, precipitation and crystal growth.

Bullying, harassment, and horizontal violence in the nursing workforce: the state of the science.

PubMed

Vessey, Judith A; Demarco, Rosanna; DiFazio, Rachel

2010-01-01

In the complex health care workplace of nurses, intra/interprofessional ideals intersect with the expectations of patients, families, students, and coworkers in a context of managed care environments, academia, and other health care enterprises. Integral to quality assessment, management, and assurance is collegial and respectful communication. Decades of reported descriptive and anecdotal data on intra/inter professional and on client communication, describe the antithesis of these ideals. Specifically, increasing frequency and rates of persistent bullying, harassment, or horizontal violence (BHHV) have shown to yield detrimental effects on workplace satisfaction, workforce retention, and the psychological and physical health of nurses as well as implied effects on quality of patient care and risk of poor health outcomes. Persistent BHHV among nurses is a serious concern. In advancing the science of description and explanation to a level of prevention intervention, explanatory models from biology, developmental psychology, intra/interpersonal interactionism are described along with theoretical explanations for the prevalence of BHHV in nurse workplaces. Making the connection between explanatory models and creative solutions to address BHHV through multiple levels of behavioral influence such as individual, environmental, interpersonal, and cultural contexts is key to advancing the science of the relationship between professional behavior and client/family/community health care outcomes.

Dissipative particle dynamics study of velocity autocorrelation function and self-diffusion coefficient in terms of interaction potential strength

NASA Astrophysics Data System (ADS)

Zohravi, Elnaz; Shirani, Ebrahim; Pishevar, Ahmadreza; Karimpour, Hossein

2018-07-01

This research focuses on numerically investigating the self-diffusion coefficient and velocity autocorrelation function (VACF) of a dissipative particle dynamics (DPD) fluid as a function of the conservative interaction strength. Analytic solutions to VACF and self-diffusion coefficients in DPD were obtained by many researchers in some restricted cases including ideal gases, without the account of conservative force. As departure from the ideal gas conditions are accentuated with increasing the relative proportion of conservative force, it is anticipated that the VACF should gradually deviate from its normally expected exponentially decay. This trend is confirmed through numerical simulations and an expression in terms of the conservative force parameter, density and temperature is proposed for the self-diffusion coefficient. As it concerned the VACF, the equivalent Langevin equation describing Brownian motion of particles with a harmonic potential is adapted to the problem and reveals an exponentially decaying oscillatory pattern influenced by the conservative force parameter, dissipative parameter and temperature. Although the proposed model for obtaining the self-diffusion coefficient with consideration of the conservative force could not be verified due to computational complexities, nonetheless the Arrhenius dependency of the self-diffusion coefficient to temperature and pressure permits to certify our model over a definite range of DPD parameters.

Van der Waals Interactions Involving Proteins

NASA Technical Reports Server (NTRS)

Roth, Charles M.; Neal, Brian L.; Lenhoff, Abraham M.

1996-01-01

Van der Waals (dispersion) forces contribute to interactions of proteins with other molecules or with surfaces, but because of the structural complexity of protein molecules, the magnitude of these effects is usually estimated based on idealized models of the molecular geometry, e.g., spheres or spheroids. The calculations reported here seek to account for both the geometric irregularity of protein molecules and the material properties of the interacting media. Whereas the latter are found to fall in the generally accepted range, the molecular shape is shown to cause the magnitudes of the interactions to differ significantly from those calculated using idealized models. with important consequences. First, the roughness of the molecular surface leads to much lower average interaction energies for both protein-protein and protein-surface cases relative to calculations in which the protein molecule is approximated as a sphere. These results indicate that a form of steric stabilization may be an important effect in protein solutions. Underlying this behavior is appreciable orientational dependence, one reflection of which is that molecules of complementary shape are found to exhibit very strong attractive dispersion interactions. Although this has been widely discussed previously in the context of molecular recognition processes, the broader implications of these phenomena may also be important at larger molecular separations, e.g., in the dynamics of aggregation, precipitation, and crystal growth.

Not All Ideals are Equal: Intrinsic and Extrinsic Ideals in Relationships.

PubMed

Rodriguez, Lindsey M; Hadden, Benjamin W; Knee, C Raymond

2015-03-01

The ideal standards model suggests that greater consistency between ideal standards and actual perceptions of one's relationship predicts positive relationship evaluations; however, no research has evaluated whether this differs across types of ideals. A self-determination theory perspective was derived to test whether satisfaction of intrinsic ideals buffers the importance of extrinsic ideals. Participants (N=195) in committed relationships directly and indirectly reported the extent to which their partner met their ideal on two dimensions: intrinsic (e.g., warm, intimate) and extrinsic (e.g., attractive, successful). Relationship need fulfillment and relationship quality were also assessed. Hypotheses were largely supported, such that satisfaction of intrinsic ideals more strongly predicted relationship functioning, and satisfaction of intrinsic ideals buffered the relevance of extrinsic ideals for outcomes.

Studying the validity of relativistic hydrodynamics with a new exact solution of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Denicol, Gabriel; Heinz, Ulrich; Martinez, Mauricio; Noronha, Jorge; Strickland, Michael

2014-12-01

We present an exact solution to the Boltzmann equation which describes a system undergoing boost-invariant longitudinal and azimuthally symmetric radial expansion for arbitrary shear viscosity to entropy density ratio. This new solution is constructed by considering the conformal map between Minkowski space and the direct product of three-dimensional de Sitter space with a line. The resulting solution respects S O (3 )q⊗S O (1 ,1 )⊗Z2 symmetry. We compare the exact kinetic solution with exact solutions of the corresponding macroscopic equations that were obtained from the kinetic theory in ideal and second-order viscous hydrodynamic approximations. The macroscopic solutions are obtained in de Sitter space and are subject to the same symmetries used to obtain the exact kinetic solution.

A New Standard Pulsar Magnetosphere

NASA Technical Reports Server (NTRS)

Contopoulos, Ioannis; Kalapotharakos, Constantinos; Kazanas, Demosthenes

2014-01-01

In view of recent efforts to probe the physical conditions in the pulsar current sheet, we revisit the standard solution that describes the main elements of the ideal force-free pulsar magnetosphere. The simple physical requirement that the electric current contained in the current layer consists of the local electric charge moving outward at close to the speed of light yields a new solution for the pulsar magnetosphere everywhere that is ideal force-free except in the current layer. The main elements of the new solution are as follows: (1) the pulsar spindown rate of the aligned rotator is 23% larger than that of the orthogonal vacuum rotator; (2) only 60% of the magnetic flux that crosses the light cylinder opens up to infinity; (3) the electric current closes along the other 40%, which gradually converges to the equator; (4) this transfers 40% of the total pulsar spindown energy flux in the equatorial current sheet, which is then dissipated in the acceleration of particles and in high-energy electromagnetic radiation; and (5) there is no separatrix current layer. Our solution is a minimum free-parameter solution in that the equatorial current layer is electrostatically supported against collapse and thus does not require a thermal particle population. In this respect, it is one more step toward the development of a new standard solution. We discuss the implications for intermittent pulsars and long-duration gamma-ray bursts. We conclude that the physical conditions in the equatorial current layer determine the global structure of the pulsar magnetosphere.

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

Wheeler, A. A.; Boettinger, W. J.; Mcfadden, G. B.

1992-01-01

A new phase field model is described which models isothermal phase transitions between ideal binary alloy solution phases. Equations are developed for the temporal and spatial variation of the phase field, which describes the identity of the phase, and of the composition. An asymptotic analysis, as the gradient energy coefficient of the phase field becomes small, was conducted. From the analysis, it is shown that the model recovers classical sharp interface models of this situation when the interfacial layers are thin, and they show how to relate the parameters appearing in the phase field model to material and growth parameters in real systems. Further, three stages of temporal evolution are identified: the first corresponding to interfacial genesis which occurs very rapidly; the second to interfacial motion controlled by the local energy difference across the interface and diffusion; the last taking place on a long time scale in which curvature effects are important and which correspond to Ostwald ripening. The results of the numerical calculations are presented.

Finite-thickness effects on the Rayleigh-Taylor instability in accelerated elastic solids

NASA Astrophysics Data System (ADS)

Piriz, S. A.; Piriz, A. R.; Tahir, N. A.

2017-05-01

A physical model has been developed for the linear Rayleigh-Taylor instability of a finite-thickness elastic slab laying on top of a semi-infinite ideal fluid. The model includes the nonideal effects of elasticity as boundary conditions at the top and bottom interfaces of the slab and also takes into account the finite transit time of the elastic waves across the slab thickness. For Atwood number AT=1 , the asymptotic growth rate is found to be in excellent agreement with the exact solution [Plohr and Sharp, Z. Angew. Math. Mech. 49, 786 (1998), 10.1007/s000330050121], and a physical explanation is given for the reduction of the stabilizing effectiveness of the elasticity for the thinner slabs. The feedthrough factor is also calculated.

On the real performance of cation exchange resins in wastewater treatment under conditions of cation competition: the case of heavy metal pollution.

PubMed

Prelot, Benedicte; Ayed, Imen; Marchandeau, Franck; Zajac, Jerzy

2014-01-01

Sorption performance of cation-exchange resins Amberlite® IRN77 and Amberlite™ IRN9652 toward Cs(I) and Sr(II) has been tested in single-component aqueous solutions and simulated waste effluents containing other monovalent (Effluent 1) or divalent (Effluent 2) metal cations, as well as nitrate, borate, or carbonate anions. The individual sorption isotherms of each main component were measured by the solution depletion method. The differential molar enthalpy changes accompanying the ion-exchange between Cs+ or Sr2+ ions and protons at the resin surface from single-component nitrate solutions were measured by isothermal titration calorimetry and they showed a higher specificity of the two resins toward cesium. Compared to the retention limits of both resins under such idealized conditions, an important depression in the maximum adsorption capacity toward each main component was observed in multication systems. The overall effect of ion exchange process appeared to be an unpredictable outcome of the individual sorption capacities of the two resins toward various cations as a function of the cation charge, size, and concentration. The cesium retention capacity of the resins was diminished to about 25% of the "ideal" value in Effluent 1 and 50% in Effluent 2; a further decrease to about 15% was observed upon concomitant strontium addition. The uptake of strontium by the resins was found to be less sensitive to the addition of other metal components: the greatest decrease in the amount adsorbed was 60% of the ideal value in the two effluents for Amberlite® IRN77 and 75% for Amberlite™ IRN9652. It was therefore demonstrated that any performance tests carried out under idealized conditions should be exploited with much caution to predict the real performance of cation exchange resins under conditions of cation competition.

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

DOE PAGES

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

2018-04-27

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

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

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

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

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

Negotiated media effects. Peer feedback modifies effects of media's thin-body ideal on adolescent girls.

PubMed

Veldhuis, Jolanda; Konijn, Elly A; Seidell, Jacob C

2014-02-01

The present study introduces a theoretical framework on negotiated media effects. Specifically, we argue that feedback of peers on thin-body ideal media images and individual dispositions guide effects on adolescent girls' psychosocial responses to media exposure. Therefore, we examined the thin-body ideal as portrayed in media and peers' feedback on such thin-ideal images in their combined effects on adolescent girls' body dissatisfaction, objectified body consciousness, and social comparison with media models. Hence, media models and peer comments were systematically combined as incorporated entities in YouTube-formats. Hypotheses were tested in a 3 (media models: extremely thin vs. thin vs. normal weight)×3 (peer comments: 6kg-underweight vs. 3kg-underweight vs. normal-weight)×2 (appearance schematicity: lower vs. higher) between-subjects design (N=216). Results showed that peer comments indicating that a media model was 'only 3kg-underweight' exerted most negative responses, particularly in girls who strongly process appearance relevant information. Peer feedback interacts with media models in guiding perceptions of what is considered an 'ideal' body shape. Results highlight the important role of peers as well as individual predispositions in view of understanding how thin-ideal media images may impact adolescent girls' body image concerns. Copyright © 2013 Elsevier Ltd. All rights reserved.

Numerical solutions of ideal quantum gas dynamical flows governed by semiclassical ellipsoidal-statistical distribution

PubMed Central

Yang, Jaw-Yen; Yan, Chih-Yuan; Diaz, Manuel; Huang, Juan-Chen; Li, Zhihui; Zhang, Hanxin

2014-01-01

The ideal quantum gas dynamics as manifested by the semiclassical ellipsoidal-statistical (ES) equilibrium distribution derived in Wu et al. (Wu et al. 2012 Proc. R. Soc. A 468, 1799–1823 (doi:10.1098/rspa.2011.0673)) is numerically studied for particles of three statistics. This anisotropic ES equilibrium distribution was derived using the maximum entropy principle and conserves the mass, momentum and energy, but differs from the standard Fermi–Dirac or Bose–Einstein distribution. The present numerical method combines the discrete velocity (or momentum) ordinate method in momentum space and the high-resolution shock-capturing method in physical space. A decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. Computations of two-dimensional Riemann problems are presented, and various contours of the quantities unique to this ES model are illustrated. The main flow features, such as shock waves, expansion waves and slip lines and their complex nonlinear interactions, are depicted and found to be consistent with existing calculations for a classical gas. PMID:24399919

Equivalent circuit modeling of a piezo-patch energy harvester on a thin plate with AC-DC conversion

NASA Astrophysics Data System (ADS)

Bayik, B.; Aghakhani, A.; Basdogan, I.; Erturk, A.

2016-05-01

As an alternative to beam-like structures, piezoelectric patch-based energy harvesters attached to thin plates can be readily integrated to plate-like structures in automotive, marine, and aerospace applications, in order to directly exploit structural vibration modes of the host system without mass loading and volumetric occupancy of cantilever attachments. In this paper, a multi-mode equivalent circuit model of a piezo-patch energy harvester integrated to a thin plate is developed and coupled with a standard AC-DC conversion circuit. Equivalent circuit parameters are obtained in two different ways: (1) from the modal analysis solution of a distributed-parameter analytical model and (2) from the finite-element numerical model of the harvester by accounting for two-way coupling. After the analytical modeling effort, multi-mode equivalent circuit representation of the harvester is obtained via electronic circuit simulation software SPICE. Using the SPICE software, electromechanical response of the piezoelectric energy harvester connected to linear and nonlinear circuit elements are computed. Simulation results are validated for the standard AC-AC and AC-DC configurations. For the AC input-AC output problem, voltage frequency response functions are calculated for various resistive loads, and they show excellent agreement with modal analysis-based analytical closed-form solution and with the finite-element model. For the standard ideal AC input-DC output case, a full-wave rectifier and a smoothing capacitor are added to the harvester circuit for conversion of the AC voltage to a stable DC voltage, which is also validated against an existing solution by treating the single-mode plate dynamics as a single-degree-of-freedom system.

The influence of mesoscale porosity on cortical bone anisotropy. Investigations via asymptotic homogenization

PubMed Central

Parnell, William J; Grimal, Quentin

2008-01-01

Recently, the mesoscale of cortical bone has been given particular attention in association with novel experimental techniques such as nanoindentation, micro-computed X-ray tomography and quantitative scanning acoustic microscopy (SAM). A need has emerged for reliable mathematical models to interpret the related microscopic and mesoscopic data in terms of effective elastic properties. In this work, a new model of cortical bone elasticity is developed and used to assess the influence of mesoscale porosity on the induced anisotropy of the material. Only the largest pores (Haversian canals and resorption cavities), characteristic of the mesoscale, are considered. The input parameters of the model are derived from typical mesoscale experimental data (e.g. SAM data). We use the method of asymptotic homogenization to determine the local effective elastic properties by modelling the propagation of low-frequency elastic waves through an idealized material that models the local mesostructure. We use a novel solution of the cell problem developed by Parnell & Abrahams. This solution is stable for the physiological range of variation of mesoscopic porosity and elasticity found in bone. Results are computed efficiently (in seconds) and the solutions can be implemented easily by other workers. Parametric studies are performed in order to assess the influence of mesoscopic porosity, the assumptions regarding the material inside the mesoscale pores (drained or undrained bone) and the shape of pores. Results are shown to be in good qualitative agreement with existing schemes and we describe the potential of the scheme for future use in modelling more complex microstructures for cortical bone. In particular, the scheme is shown to be a useful tool with which to predict the qualitative changes in anisotropy due to variations in the structure at the mesoscale. PMID:18628200

Optimizing the static-dynamic performance of the body-in-white using a modified non-dominated sorting genetic algorithm coupled with grey relational analysis

NASA Astrophysics Data System (ADS)

Wang, Dengfeng; Cai, Kefang

2018-04-01

This article presents a hybrid method combining a modified non-dominated sorting genetic algorithm (MNSGA-II) with grey relational analysis (GRA) to improve the static-dynamic performance of a body-in-white (BIW). First, an implicit parametric model of the BIW was built using SFE-CONCEPT software, and then the validity of the implicit parametric model was verified by physical testing. Eight shape design variables were defined for BIW beam structures based on the implicit parametric technology. Subsequently, MNSGA-II was used to determine the optimal combination of the design parameters that can improve the bending stiffness, torsion stiffness and low-order natural frequencies of the BIW without considerable increase in the mass. A set of non-dominated solutions was then obtained in the multi-objective optimization design. Finally, the grey entropy theory and GRA were applied to rank all non-dominated solutions from best to worst to determine the best trade-off solution. The comparison between the GRA and the technique for order of preference by similarity to ideal solution (TOPSIS) illustrated the reliability and rationality of GRA. Moreover, the effectiveness of the hybrid method was verified by the optimal results such that the bending stiffness, torsion stiffness, first order bending and first order torsion natural frequency were improved by 5.46%, 9.30%, 7.32% and 5.73%, respectively, with the mass of the BIW increasing by 1.30%.

A Dynamic Eddy Viscosity Model for the Shallow Water Equations Solved by Spectral Element and Discontinuous Galerkin Methods

NASA Astrophysics Data System (ADS)

Marras, Simone; Suckale, Jenny; Giraldo, Francis X.; Constantinescu, Emil

2016-04-01

We present the solution of the viscous shallow water equations where viscosity is built as a residual-based subgrid scale model originally designed for large eddy simulation of compressible [1] and stratified flows [2]. The necessity of viscosity for a shallow water model not only finds motivation from mathematical analysis [3], but is supported by physical reasoning as can be seen by an analysis of the energetics of the solution. We simulated the flow of an idealized wave as it hits a set of obstacles. The kinetic energy spectrum of this flow shows that, although the inviscid Galerkin solutions -by spectral elements and discontinuous Galerkin [4]- preserve numerical stability in spite of the spurious oscillations in the proximity of the wave fronts, the slope of the energy cascade deviates from the theoretically expected values. We show that only a sufficiently small amount of dynamically adaptive viscosity removes the unwanted high-frequency modes while preserving the overall sharpness of the solution. In addition, it yields a physically plausible energy decay. This work is motivated by a larger interest in the application of a shallow water model to the solution of tsunami triggered coastal flows. In particular, coastal flows in regions around the world where coastal parks made of mitigation hills of different sizes and configurations are considered as a means to deviate the power of the incoming wave. References [1] M. Nazarov and J. Hoffman (2013) "Residual-based artificial viscosity for simulation of turbulent compressible flow using adaptive finite element methods" Int. J. Numer. Methods Fluids, 71:339-357 [2] S. Marras, M. Nazarov, F. X. Giraldo (2015) "Stabilized high-order Galerkin methods based on a parameter-free dynamic SGS model for LES" J. Comput. Phys. 301:77-101 [3] J. F. Gerbeau and B. Perthame (2001) "Derivation of the viscous Saint-Venant system for laminar shallow water; numerical validation" Discrete Contin. Dyn. Syst. Ser. B, 1:89?102 [4] F. X. Giraldo and M. Restelli (2010) "High-order semi-implicit time-integrators for a triangular discontinuous Galerkin oceanic shallow water model. Int. J. Numer. Methods Fluids, 63:1077-1102

Fitting measurement models to vocational interest data: are dominance models ideal?

PubMed

Tay, Louis; Drasgow, Fritz; Rounds, James; Williams, Bruce A

2009-09-01

In this study, the authors examined the item response process underlying 3 vocational interest inventories: the Occupational Preference Inventory (C.-P. Deng, P. I. Armstrong, & J. Rounds, 2007), the Interest Profiler (J. Rounds, T. Smith, L. Hubert, P. Lewis, & D. Rivkin, 1999; J. Rounds, C. M. Walker, et al., 1999), and the Interest Finder (J. E. Wall & H. E. Baker, 1997; J. E. Wall, L. L. Wise, & H. E. Baker, 1996). Item response theory (IRT) dominance models, such as the 2-parameter and 3-parameter logistic models, assume that item response functions (IRFs) are monotonically increasing as the latent trait increases. In contrast, IRT ideal point models, such as the generalized graded unfolding model, have IRFs that peak where the latent trait matches the item. Ideal point models are expected to fit better because vocational interest inventories ask about typical behavior, as opposed to requiring maximal performance. Results show that across all 3 interest inventories, the ideal point model provided better descriptions of the response process. The importance of specifying the correct item response model for precise measurement is discussed. In particular, scores computed by a dominance model were shown to be sometimes illogical: individuals endorsing mostly realistic or mostly social items were given similar scores, whereas scores based on an ideal point model were sensitive to which type of items respondents endorsed.

Idealness and similarity in goal-derived categories: a computational examination.

PubMed

Voorspoels, Wouter; Storms, Gert; Vanpaemel, Wolf

2013-02-01

The finding that the typicality gradient in goal-derived categories is mainly driven by ideals rather than by exemplar similarity has stood uncontested for nearly three decades. Due to the rather rigid earlier implementations of similarity, a key question has remained--that is, whether a more flexible approach to similarity would alter the conclusions. In the present study, we evaluated whether a similarity-based approach that allows for dimensional weighting could account for findings in goal-derived categories. To this end, we compared a computational model of exemplar similarity (the generalized context model; Nosofsky, Journal of Experimental Psychology. General 115:39-57, 1986) and a computational model of ideal representation (the ideal-dimension model; Voorspoels, Vanpaemel, & Storms, Psychonomic Bulletin & Review 18:1006-114, 2011) in their accounts of exemplar typicality in ten goal-derived categories. In terms of both goodness-of-fit and generalizability, we found strong evidence for an ideal approach in nearly all categories. We conclude that focusing on a limited set of features is necessary but not sufficient to account for the observed typicality gradient. A second aspect of ideal representations--that is, that extreme rather than common, central-tendency values drive typicality--seems to be crucial.

Not All Ideals are Equal: Intrinsic and Extrinsic Ideals in Relationships

PubMed Central

Rodriguez, Lindsey M.; Hadden, Benjamin W.; Knee, C. Raymond

2015-01-01

The ideal standards model suggests that greater consistency between ideal standards and actual perceptions of one’s relationship predicts positive relationship evaluations; however, no research has evaluated whether this differs across types of ideals. A self-determination theory perspective was derived to test whether satisfaction of intrinsic ideals buffers the importance of extrinsic ideals. Participants (N=195) in committed relationships directly and indirectly reported the extent to which their partner met their ideal on two dimensions: intrinsic (e.g., warm, intimate) and extrinsic (e.g., attractive, successful). Relationship need fulfillment and relationship quality were also assessed. Hypotheses were largely supported, such that satisfaction of intrinsic ideals more strongly predicted relationship functioning, and satisfaction of intrinsic ideals buffered the relevance of extrinsic ideals for outcomes. PMID:25821396

Development of Modified Incompressible Ideal Gas Model for Natural Draft Cooling Tower Flow Simulation

NASA Astrophysics Data System (ADS)

Hyhlík, Tomáš

2018-06-01

The article deals with the development of incompressible ideal gas like model, which can be used as a part of mathematical model describing natural draft wet-cooling tower flow, heat and mass transfer. It is shown, based on the results of a complex mathematical model of natural draft wet-cooling tower flow, that behaviour of pressure, temperature and density is very similar to the case of hydrostatics of moist air, where heat and mass transfer in the fill zone must be taken into account. The behaviour inside the cooling tower is documented using density, pressure and temperature distributions. The proposed equation for the density is based on the same idea like the incompressible ideal gas model, which is only dependent on temperature, specific humidity and in this case on elevation. It is shown that normalized density difference of the density based on proposed model and density based on the nonsimplified model is in the order of 10-4. The classical incompressible ideal gas model, Boussinesq model and generalised Boussinesq model are also tested. These models show deviation in percentages.

Modeling of Ureolytic Calcite Precipitation for the Remediation of Sr-90 Using a Variable Velocity Streamtube Ensemble

NASA Astrophysics Data System (ADS)

Weathers, T. S.; Ginn, T. R.; Spycher, N.; Barkouki, T. H.; Fujita, Y.; Smith, R. W.

2009-12-01

Subsurface contamination is often mitigated with an injection/extraction well system. An understanding of heterogeneities within this radial flowfield is critical for modeling, prediction, and remediation of the subsurface. We address this using a Lagrangian approach: instead of depicting spatial extents of solutes in the subsurface we focus on their arrival distribution at the control well(s). A well-to-well treatment system that incorporates in situ microbially-mediated ureolysis to induce calcite precipitation for the immobilization of strontium-90 has been explored at the Vadose Zone Research Park (VZRP) near Idaho Falls, Idaho. PHREEQC2 is utilized to model the kinetically-controlled ureolysis and consequent calcite precipitation. PHREEQC2 provides a one-dimensional advective-dispersive transport option that can be and has been used in streamtube ensemble models. Traditionally, each streamtube maintains uniform velocity; however in radial flow in homogeneous media, the velocity within any given streamtube is variable in space, being highest at the input and output wells and approaching a minimum at the midpoint between the wells. This idealized velocity variability is of significance if kinetic reactions are present with multiple components, if kinetic reaction rates vary in space, if the reactions involve multiple phases (e.g. heterogeneous reactions), and/or if they impact physical characteristics (porosity/permeability), as does ureolytically driven calcite precipitation. Streamtube velocity patterns for any particular configuration of injection and withdrawal wells are available as explicit calculations from potential theory, and also from particle tracking programs. To approximate the actual spatial distribution of velocity along streamtubes, we assume idealized non-uniform velocity associated with homogeneous media. This is implemented in PHREEQC2 via a non-uniform spatial discretization within each streamtube that honors both the streamtube’s travel time and the idealized “fast-slow-fast” nonuniform velocity along the streamline. Breakthrough curves produced by each simulation are weighted by the path-respective flux fractions (obtained by deconvolution of tracer tests conducted at the VZRP) to obtain the flux-average of flow contributions to the observation well. Breakthrough data from urea injection experiments performed at the VZRP are compared to the model results from the PHREEQC2 variable velocity ensemble.

Experimental animal models of encapsulating peritoneal sclerosis.

PubMed

Hoff, Catherine M

2005-04-01

Encapsulating peritoneal sclerosis (EPS) is an infrequent, but extremely serious complication of long-term peritoneal dialysis. The cause of EPS is unclear, but the low incidence suggests that it is most likely multifactorial. The elucidation of developmental pathways and predictive markers of EPS would facilitate the identification and management of high-risk patients. Animal models are often used to define pathways of disease progression and to test strategies for treatment and prevention in the patient population. Ideally such models could help to define the cause of EPS and its developmental pathways, to facilitate the identification of contributing factors and predictive markers, and to provide a system to test therapeutic strategies. Researchers have studied several rodent models of EPS that rely on chronic chemical irritation (for example, bleach, low-pH solution, chlorhexidine gluconate) to induce peritoneal sclerosis and abdominal encapsulation. Development in all models is progressive, with inflammation giving way to peritoneal fibrosis or sclerosis with accumulating membrane damage, culminating in cocoon formation. Microscopic findings are similar to those proposed as diagnostic criteria for clinical EPS: an initial inflammatory infiltrate and submesothelial thickening, collagen deposition, and activation and proliferation of peritoneal fibroblasts. The potential to block progression of peritoneal sclerosis in these models by anti-inflammatory, antifibrotic, and anti-angiogenic agents, and by inhibitors of the renin-angiotensin system have been demonstrated. Animal models based on clinically relevant risk factors (for example, uremia, peritonitis, and long-term exposure to dialysis solutions) now represent the next step in model development.

Can the Ocean's Heat Engine Control Horizontal Circulation? Insights From the Caspian Sea

NASA Astrophysics Data System (ADS)

Bruneau, Nicolas; Zika, Jan; Toumi, Ralf

2017-10-01

We investigate the role of the ocean's heat engine in setting horizontal circulation using a numerical model of the Caspian Sea. The Caspian Sea can be seen as a virtual laboratory—a compromise between realistic global models that are hampered by long equilibration times and idealized basin geometry models, which are not constrained by observations. We find that increases in vertical mixing drive stronger thermally direct overturning and consequent conversion of available potential to kinetic energy. Numerical solutions with water mass structures closest to observations overturn 0.02-0.04 × 106 m3/s (sverdrup) representing the first estimate of Caspian Sea overturning. Our results also suggest that the overturning is thermally forced increasing in intensity with increasing vertical diffusivity. Finally, stronger thermally direct overturning is associated with a stronger horizontal circulation in the Caspian Sea. This suggests that the ocean's heat engine can strongly impact broader horizontal circulations in the ocean.

Study on multimodal transport route under low carbon background

NASA Astrophysics Data System (ADS)

Liu, Lele; Liu, Jie

2018-06-01

Low-carbon environmental protection is the focus of attention around the world, scientists are constantly researching on production of carbon emissions and living carbon emissions. However, there is little literature about multimodal transportation based on carbon emission at home and abroad. Firstly, this paper introduces the theory of multimodal transportation, the multimodal transport models that didn't consider carbon emissions and consider carbon emissions are analyzed. On this basis, a multi-objective programming 0-1 programming model with minimum total transportation cost and minimum total carbon emission is proposed. The idea of weight is applied to Ideal point method for solving problem, multi-objective programming is transformed into a single objective function. The optimal solution of carbon emission to transportation cost under different weights is determined by a single objective function with variable weights. Based on the model and algorithm, an example is given and the results are analyzed.

Simulating Stable Isotope Ratios in Plumes of Groundwater Pollutants with BIOSCREEN-AT-ISO.

PubMed

Höhener, Patrick; Li, Zhi M; Julien, Maxime; Nun, Pierrick; Robins, Richard J; Remaud, Gérald S

2017-03-01

BIOSCREEN is a well-known simple tool for evaluating the transport of dissolved contaminants in groundwater, ideal for rapid screening and teaching. This work extends the BIOSCREEN model for the calculation of stable isotope ratios in contaminants. A three-dimensional exact solution of the reactive transport from a patch source, accounting for fractionation by first-order decay and/or sorption, is used. The results match those from a previously published isotope model but are much simpler to obtain. Two different isotopes may be computed, and dual isotope plots can be viewed. The dual isotope assessment is a rapidly emerging new approach for identifying process mechanisms in aquifers. Furthermore, deviations of isotope ratios at specific reactive positions with respect to "bulk" ratios in the whole compound can be simulated. This model is named BIOSCREEN-AT-ISO and will be downloadable from the journal homepage. © 2016, National Ground Water Association.

Designing the future of healthcare.

PubMed

Fidsa, Gianfranco Zaccai

2009-01-01

This paper describes the application of a holistic design process to a variety of problems plaguing current healthcare systems. A design process for addressing complex, multifaceted problems is contrasted with the piecemeal application of technological solutions to specific medical or administrative problems. The goal of this design process is the ideal customer experience, specifically the ideal experience for patients, healthcare providers, and caregivers within a healthcare system. Holistic design is shown to be less expensive and wasteful in the long run because it avoids solving one problem within a complex system at the cost of creating other problems within that system. The article applies this approach to the maintenance of good health throughout life; to the creation of an ideal experience when a person does need medical care; to the maintenance of personal independence as one ages; and to the enjoyment of a comfortable and dignified death. Virginia Mason Medical Center is discussed as an example of a healthcare institution attempting to create ideal patient and caregiver experiences, in this case by applying the principles of the Toyota Production System ("lean manufacturing") to healthcare. The article concludes that healthcare is inherently dedicated to an ideal, that science and technology have brought it closer to that ideal, and that design can bring it closer still.

Reply to ``Comment on `Free surface Hele-Shaw flows around an obstacle: A random walk simulation' ''

NASA Astrophysics Data System (ADS)

Bogoyavlenskiy, Vladislav A.; Cotts, Eric J.

2007-09-01

As pointed out by Vasconcelos in his Comment, our computer simulations of Hele-Shaw flows around series of wedges differ from analytical solutions existing for this problem. We attribute the discrepancy to the notion that these analytical solutions correspond to ideal, steady-state flow regimes which are hardly applicable when a rigid obstacle interacts with a moving liquid-gas interface.

Steady normal shock wave solution tables of parahydrogen for total temperatures from 30 K to 290 K and for total pressure from 1 ATM to 10 ATM

NASA Technical Reports Server (NTRS)

Haut, R. C.; Adcock, J. B.

1976-01-01

The steady normal shock wave solutions of parahydrogen at various total pressures and total temperatures were numerically determined by iterating the upstream Mach number and by using a modified interval halving technique. The results obtained are compared with the ideal diatomic gas values and are presented in tabulated form.

Solution of weakly compressible isothermal flow in landfill gas collection networks

NASA Astrophysics Data System (ADS)

Nec, Y.; Huculak, G.

2017-12-01

Pipe networks collecting gas in sanitary landfills operate under the regime of a weakly compressible isothermal flow of ideal gas. The effect of compressibility has been traditionally neglected in this application in favour of simplicity, thereby creating a conceptual incongruity between the flow equations and thermodynamic equation of state. Here the flow is solved by generalisation of the classic Darcy-Weisbach equation for an incompressible steady flow in a pipe to an ordinary differential equation, permitting continuous variation of density, viscosity and related fluid parameters, as well as head loss or gain due to gravity, in isothermal flow. The differential equation is solved analytically in the case of ideal gas for a single edge in the network. Thereafter the solution is used in an algorithm developed to construct the flow equations automatically for a network characterised by an incidence matrix, and determine pressure distribution, flow rates and all associated parameters therein.

A rough set approach for determining weights of decision makers in group decision making.

PubMed

Yang, Qiang; Du, Ping-An; Wang, Yong; Liang, Bin

2017-01-01

This study aims to present a novel approach for determining the weights of decision makers (DMs) based on rough group decision in multiple attribute group decision-making (MAGDM) problems. First, we construct a rough group decision matrix from all DMs' decision matrixes on the basis of rough set theory. After that, we derive a positive ideal solution (PIS) founded on the average matrix of rough group decision, and negative ideal solutions (NISs) founded on the lower and upper limit matrixes of rough group decision. Then, we obtain the weight of each group member and priority order of alternatives by using relative closeness method, which depends on the distances from each individual group member' decision to the PIS and NISs. Through comparisons with existing methods and an on-line business manager selection example, the proposed method show that it can provide more insights into the subjectivity and vagueness of DMs' evaluations and selections.

Towards predictive molecular dynamics simulations of DNA: electrostatics and solution/crystal environments

NASA Astrophysics Data System (ADS)

Babin, Volodymr; Baucom, Jason; Darden, Thomas; Sagui, Celeste

2006-03-01

We have investigated to what extend molecular dynamics (MD) simulatons can reproduce DNA sequence-specific features, given different electrostatic descriptions and different cell environments. For this purpose, we have carried out multiple unrestrained MD simulations of the duplex d(CCAACGTTGG)2. With respect to the electrostatic descriptions, two different force fields were studied: a traditional description based on atomic point charges and a polarizable force field. With respect to the cell environment, the difference between crystal and solution environments is emphasized, as well as the structural importance of divalent ions. By imposing the correct experimental unit cell environment, an initial configuration with two ideal B-DNA duplexes in the unit cell is shown to converge to the crystallographic structure. To the best of our knowledge, this provides the first example of a multiple nanosecond MD trajectory that shows and ideal structure converging to an experimental one, with a significant decay of the RMSD.

Application of the IAS theory combining to a three compartments description of natural organic matter to the adsorption of atrazine or diuron on activated carbon.

PubMed

Baudu, M; Raveau, D; Guibaud, G

2004-07-01

The study of natural organic matter (NOM) adsorption on an activated carbon showed that equilibrium cannot be described according to a simple model such as a Freundlich isotherm and confirms the need for a closer description of the organic matter to simulate the competitive adsorption with micropollutants. A representation of the organic matter in three fractions is chosen: non-adsorbable, weak and strong adsorbable. The Ideal Adsorbed Solution Theory (IAST) can, under restrictive conditions, be used to effectively predict the competition between the pesticides and the organic matter. Therefore, it was noted that the model simulated with good precision the competition between atrazine or diuron and natural organic matter in aqueous solution for two activated carbons (A and B). The same parameters for the modeling of organic matter adsorption (Freudlich constants for two absorbable fractions) are used with the two pesticides. However, IAST does not allow correct modeling of pesticide adsorption onto two other (C and D) activated carbons in solution in natural water to be described. IAS theory does not reveal competition between diuron and NOM and pore blockage mechanism by the NOM is proposed as the major effect for the adsorption capacity reduction. However, the difference observed between the two pesticides could be due to in addition to the pore blockage effect, a particular phenomenon with the diuron, especially with D activated carbon. We can suppose specific interactions between the diuron and the adsorbed organic matter and a competition between adsorption sites of NOM and activated carbon surface.

Fitting IRT Models to Dichotomous and Polytomous Data: Assessing the Relative Model-Data Fit of Ideal Point and Dominance Models

ERIC Educational Resources Information Center

Tay, Louis; Ali, Usama S.; Drasgow, Fritz; Williams, Bruce

2011-01-01

This study investigated the relative model-data fit of an ideal point item response theory (IRT) model (the generalized graded unfolding model [GGUM]) and dominance IRT models (e.g., the two-parameter logistic model [2PLM] and Samejima's graded response model [GRM]) to simulated dichotomous and polytomous data generated from each of these models.…

A Hybrid Approach for Efficient Modeling of Medium-Frequency Propagation in Coal Mines

PubMed Central

Brocker, Donovan E.; Sieber, Peter E.; Waynert, Joseph A.; Li, Jingcheng; Werner, Pingjuan L.; Werner, Douglas H.

2015-01-01

An efficient procedure for modeling medium frequency (MF) communications in coal mines is introduced. In particular, a hybrid approach is formulated and demonstrated utilizing ideal transmission line equations to model MF propagation in combination with full-wave sections used for accurate simulation of local antenna-line coupling and other near-field effects. This work confirms that the hybrid method accurately models signal propagation from a source to a load for various system geometries and material compositions, while significantly reducing computation time. With such dramatic improvement to solution times, it becomes feasible to perform large-scale optimizations with the primary motivation of improving communications in coal mines both for daily operations and emergency response. Furthermore, it is demonstrated that the hybrid approach is suitable for modeling and optimizing large communication networks in coal mines that may otherwise be intractable to simulate using traditional full-wave techniques such as moment methods or finite-element analysis. PMID:26478686

Evaluation of indoor air composition time variation in air-tight occupied spaces during night periods

NASA Astrophysics Data System (ADS)

Markov, Detelin

2012-11-01

This paper presents an easy-to-understand procedure for prediction of indoor air composition time variation in air-tight occupied spaces during the night periods. The mathematical model is based on the assumptions for homogeneity and perfect mixing of the indoor air, the ideal gas model for non-reacting gas mixtures, mass conservation equations for the entire system and for each species, a model for prediction of basal metabolic rate of humans as well as a model for prediction of O2 consumption rate and both CO2 and H2O generation rates by breathing. Time variation of indoor air composition is predicted at constant indoor air temperature for three scenarios based on the analytical solution of the mathematical model. The results achieved reveal both the most probable scenario for indoor air time variation in air-tight occupied spaces as well as the cause for morning tiredness after having a sleep in a modern energy efficient space.

Modeling surface trapped river plumes: A sensitivity study

USGS Publications Warehouse

Hyatt, Jason; Signell, Richard P.

2000-01-01

To better understand the requirements for realistic regional simulation of river plumes in the Gulf of Maine, we test the sensitivity of the Blumberg-Mellor hydrodynamic model to choice of advection scheme, grid resolution, and wind, using idealized geometry and forcing. The test case discharges 1500 m3/s of fresh water into a uniform 32 psu ocean along a straight shelf at 43?? north. The water depth is 15 m at the coast and increases linearly to 190 m at a distance 100 km offshore. Constant discharge runs are conducted in the presence of ambient alongshore current and with and without periodic alongshore wind forcing. Advection methods tested are CENTRAL, UPWIND, the standard Smolarkiewicz MPDATA and a recursive MPDATA scheme. For the no-wind runs, the UPWIND advection scheme performs poorly for grid resolutions typically used in regional simulations (grid spacing of 1-2 km, comparable to or slightly less than the internal Rossby radius, and vertical resolution of 10% of the water column), damping out much of the plume structure. The CENTRAL difference scheme also has problems when wind forcing is neglected, and generates too much structure, shedding eddies of numerical origin. When a weak 5 cm/s ambient current is present in the no-wind case, both the CENTRAL and standard MPDATA schemes produce a false fresh- and dense-water source just upstream of the river inflow due to a standing two-grid length oscillation in the salinity field. The recursive MPDATA scheme completely eliminates the false dense water source, and produces results closest to the grid-converged solution. The results are shown to be very sensitive to vertical grid resolution, and the presence of wind forcing dramatically changes the nature of the plume simulations. The implication of these idealized tests for realistic simulations is discussed, as well as ramifications on previous studies of idealized plume models.

Computational flow predictions for hypersonic drag devices

NASA Technical Reports Server (NTRS)

Tokarcik, Susan A.; Venkatapathy, Ethiraj

1993-01-01

The effectiveness of two types of hypersonic decelerators is examined: mechanically deployable flares and inflatable ballutes. Computational fluid dynamics (CFD) is used to predict the flowfield around a solid rocket motor (SRM) with a deployed decelerator. The computations are performed with an ideal gas solver using an effective specific heat ratio of 1.15. The results from the ideal gas solver are compared to computational results from a thermochemical nonequilibrium solver. The surface pressure coefficient, the drag, and the extend of the compression corner separation zone predicted by the ideal gas solver compare well with those predicted by the nonequilibrium solver. The ideal gas solver is computationally inexpensive and is shown to be well suited for preliminary design studies. The computed solutions are used to determine the size and shape of the decelerator that are required to achieve a drag coefficient of 5. Heat transfer rates to the SRM and the decelerators are predicted to estimate the amount of thermal protection required.

Melting relations in the system FeCO3-MgCO3 and thermodynamic modelling of Fe-Mg carbonate melts

NASA Astrophysics Data System (ADS)

Kang, Nathan; Schmidt, Max W.; Poli, Stefano; Connolly, James A. D.; Franzolin, Ettore

2016-09-01

To constrain the thermodynamics and melting relations of the siderite-magnesite (FeCO3-MgCO3) system, 27 piston cylinder experiments were conducted at 3.5 GPa and 1170-1575 °C. Fe-rich compositions were also investigated with 13 multi-anvil experiments at 10, 13.6 and 20 GPa, 1500-1890 °C. At 3.5 GPa, the solid solution siderite-magnesite coexists with melt over a compositional range of X Mg (=Mg/(Mg + Fetot)) = 0.38-1.0, while at ≥10 GPa solid solution appears to be complete. At 3.5 GPa, the system is pseudo-binary because of the limited stability of siderite or liquid FeCO3, Fe-rich carbonates decomposing at subsolidus conditions to magnetite-magnesioferrite solid solution, graphite and CO2. Similar reactions also occur with liquid FeCO3 resulting in melt species with ferric iron components, but the decomposition of the liquid decreases in importance with pressure. At 3.5 GPa, the metastable melting temperature of pure siderite is located at 1264 °C, whereas pure magnesite melts at 1629 °C. The melting loop is non-ideal on the Fe side where the dissociation reaction resulting in Fe3+ in the melt depresses melting temperatures and causes a minimum. Over the pressure range of 3.5-20 GPa, this minimum is 20-35 °C lower than the (metastable) siderite melting temperature. By merging all present and previous experimental data, standard state (298.15 K, 1 bar) thermodynamic properties of the magnesite melt (MgCO3L) end member are calculated and the properties of (Fe,Mg)CO3 melt fit by a regular solution model with an interaction parameter of -7600 J/mol. The solution model reproduces the asymmetric melting loop and predicts the thermal minimum at 1240 °C near the siderite side at X Mg = 0.2 (3.5 GPa). The solution model is applicable to pressures reaching to the bottom of the upper mantle and allows calculation of phase relations in the FeO-MgO-O2-C system.

Evaluative conditioning makes slim models less desirable as standards for comparison and increases body satisfaction.

PubMed

Martijn, Carolien; Sheeran, Paschal; Wesseldijk, Laura W; Merrick, Hannah; Webb, Thomas L; Roefs, Anne; Jansen, Anita

2013-04-01

The present research tested whether an evaluative conditioning intervention makes thin-ideal models less enviable as standards for appearance-based social comparisons (Study 1), and increases body satisfaction (Study 2). Female participants were randomly assigned to intervention versus control conditions in both studies (ns = 66 and 39). Intervention participants learned to associate thin-ideal models with synonyms of fake whereas control participants completed an equivalent task that did not involve learning this association. The dependent variable in Study 1 was an implicit measure of idealization of slim models assessed via a modified Implicit Association Test (IAT). Study 2 used a validated, self-report measure of body satisfaction as the outcome variable. Intervention participants showed significantly less implicit idealization of slim models on the IAT compared to controls (Study 1). In Study 2, participants who undertook the intervention exhibited an increase in body satisfaction scores whereas no such increase was observed for control participants. The present research indicates that it is possible to overcome the characteristic impact of thin-ideal models on women's judgments of their bodies. An evaluative conditioning intervention made it less likely that slim models were perceived as targets to be emulated, and enhanced body satisfaction. 2013 APA, all rights reserved

Pendula, Models, Constructivism and Reality

NASA Astrophysics Data System (ADS)

Nola, Robert

It is argued that Galileo made an important breakthrough in the methodology of science by considering idealized models of phenomena such as free fall, swinging pendula and the like, which can conflict with experience. Theidealized models are constructs largely by our reasoning processes applied to the theoretical situation at hand. Onthis view, scientific knowledge is not a construction out of experience, as many constructivists claim about both the methods of science and about the learning of science. In fact Galileo's models can, depending on their degree of idealization or concretization, be at variance with experience. This paper considers what is meant by idealization and concretization of both the objects and properties that makeup theoretical models, and the ideal laws that govern them. It also provides brief illustrations of ideal laws and how they may be made more concrete, and briefly considers how theories and models might be tested against what we observe.Finally some difficulties are raised for a radical constructivist approach to both science and learning in the light of Galileo's methodological approach. The upshot is that both the dialogue structure of Galileo's writings and his method of model building provide a rich resource for science education that rivals that of the standard varieties of constructivism, and at the same time gives a much better picture of the actual procedures of science itself.

From analytical solutions of solute transport equations to multidimensional time-domain random walk (TDRW) algorithms

NASA Astrophysics Data System (ADS)

Bodin, Jacques

2015-03-01

In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.

Resonant Tidal Excitation of Internal Waves in the Earth's Fluid Core

NASA Technical Reports Server (NTRS)

Tyler, Robert H.; Kuang, Weijia

2014-01-01

It has long been speculated that there is a stably stratified layer below the core-mantle boundary, and two recent studies have improved the constraints on the parameters describing this stratification. Here we consider the dynamical implications of this layer using a simplified model. We first show that the stratification in this surface layer has sensitive control over the rate at which tidal energy is transferred to the core. We then show that when the stratification parameters from the recent studies are used in this model, a resonant configuration arrives whereby tidal forces perform elevated rates of work in exciting core flow. Specifically, the internal wave speed derived from the two independent studies (150 and 155 m/s) are in remarkable agreement with the speed (152 m/s) required for excitation of the primary normal mode of oscillation as calculated from full solutions of the Laplace Tidal Equations applied to a reduced-gravity idealized model representing the stratified layer. In evaluating this agreement it is noteworthy that the idealized model assumed may be regarded as the most reduced representation of the stratified dynamics of the layer, in that there are no non-essential dynamical terms in the governing equations assumed. While it is certainly possible that a more realistic treatment may require additional dynamical terms or coupling, it is also clear that this reduced representation includes no freedom for coercing the correlation described. This suggests that one must accept either (1) that tidal forces resonantly excite core flow and this is predicted by a simple model or (2) that either the independent estimates or the dynamical model does not accurately portray the core surface layer and there has simply been an unlikely coincidence between three estimates of a stratification parameter which would otherwise have a broad plausible range.

Image-based computational fluid dynamics in blood vessel models: toward developing a prognostic tool to assess cardiovascular function changes in prolonged space flights

NASA Astrophysics Data System (ADS)

Chatzimavroudis, George P.; Spirka, Thomas A.; Setser, Randolph M.; Myers, Jerry G.

2005-04-01

One of NASA"s objectives is to be able to perform a complete pre-flight evaluation of possible cardiovascular changes in astronauts scheduled for prolonged space missions. Blood flow is an important component of cardiovascular function. Lately, attention has focused on using computational fluid dynamics (CFD) to analyze flow with realistic vessel geometries. MRI can provide detailed geometrical information and is the only clinical technique to measure all three spatial velocity components. The objective of this study was to investigate the reliability of MRI-based model reconstruction for CFD simulations. An aortic arch model and a carotid bifurcation model were scanned in a 1.5T MRI scanner. Axial MRI acquisitions provided images for geometry reconstruction using different resolution settings. The vessel walls were identified and the geometry was reconstructed using existing software. The geometry was then imported into a commercial CFD package for meshing and numerical solution. MRI velocity acquisitions provided true inlet boundary conditions for steady flow, as well as three-directional velocity data at several locations. In addition, an idealized version of each geometry was created from the model drawings. Contour and vector plots of the velocity showed identical features between the MRI velocity data, the MRI-based CFD data, and the idealized-geometry CFD data, with mean differences <10%. CFD results from different MRI resolution settings did not show significant differences (<5%). This study showed quantitatively that reliable CFD simulations can be performed in models reconstructed from MRI acquisitions and gives evidence that a future, subject-specific, computational evaluation of the cardiovascular system is possible.

PROCESS OF SECURING PLUTONIUM IN NITRIC ACID SOLUTIONS IN ITS TRIVALENT OXIDATION STATE

DOEpatents

Thomas, J.R.

1958-08-26

>Various processes for the recovery of plutonium require that the plutonium be obtalned and maintained in the reduced or trivalent state in solution. Ferrous ions are commonly used as the reducing agent for this purpose, but it is difficult to maintain the plutonium in a reduced state in nitric acid solutions due to the oxidizing effects of the acid. It has been found that the addition of a stabilizing or holding reductant to such solution prevents reoxidation of the plutonium. Sulfamate ions have been found to be ideally suitable as such a stabilizer even in the presence of nitric acid.

Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

NASA Astrophysics Data System (ADS)

Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

2018-05-01

Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

Physicochemical, bioactive, and sensory properties of persimmon-based ice cream: technique for order preference by similarity to ideal solution to determine optimum concentration.

PubMed

Karaman, Safa; Toker, Ömer Said; Yüksel, Ferhat; Çam, Mustafa; Kayacier, Ahmed; Dogan, Mahmut

2014-01-01

In the present study, persimmon puree was incorporated into the ice cream mix at different concentrations (8, 16, 24, 32, and 40%) and some physicochemical (dry matter, ash, protein, pH, sugar, fat, mineral, color, and viscosity), textural (hardness, stickiness, and work of penetration), bioactive (antiradical activity and total phenolic content), and sensory properties of samples were investigated. The technique for order preference by similarity to ideal solution approach was used for the determination of optimum persimmon puree concentration based on the sensory and bioactive characteristics of final products. Increase in persimmon puree resulted in a decrease in the dry matter, ash, fat, protein contents, and viscosity of ice cream mix. Glucose, fructose, sucrose, and lactose were determined to be major sugars in the ice cream samples including persimmon and increase in persimmon puree concentration increased the fructose and glucose content. Better melting properties and textural characteristics were observed for the samples with the addition of persimmon. Magnesium, K, and Ca were determined to be major minerals in the samples and only K concentration increased with the increase in persimmon content. Bioactive properties of ice cream samples improved and, in general, acetone-water extracts showed higher bioactivity compared with ones obtained using methanol-water extracts. The technique for order preference by similarity to ideal solution approach showed that the most preferred sample was the ice cream containing 24% persimmon puree. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

An Improved Simulated Annealing Technique for Enhanced Mobility in Smart Cities.

PubMed

Amer, Hayder; Salman, Naveed; Hawes, Matthew; Chaqfeh, Moumena; Mihaylova, Lyudmila; Mayfield, Martin

2016-06-30

Vehicular traffic congestion is a significant problem that arises in many cities. This is due to the increasing number of vehicles that are driving on city roads of limited capacity. The vehicular congestion significantly impacts travel distance, travel time, fuel consumption and air pollution. Avoidance of traffic congestion and providing drivers with optimal paths are not trivial tasks. The key contribution of this work consists of the developed approach for dynamic calculation of optimal traffic routes. Two attributes (the average travel speed of the traffic and the roads' length) are utilized by the proposed method to find the optimal paths. The average travel speed values can be obtained from the sensors deployed in smart cities and communicated to vehicles via the Internet of Vehicles and roadside communication units. The performance of the proposed algorithm is compared to three other algorithms: the simulated annealing weighted sum, the simulated annealing technique for order preference by similarity to the ideal solution and the Dijkstra algorithm. The weighted sum and technique for order preference by similarity to the ideal solution methods are used to formulate different attributes in the simulated annealing cost function. According to the Sheffield scenario, simulation results show that the improved simulated annealing technique for order preference by similarity to the ideal solution method improves the traffic performance in the presence of congestion by an overall average of 19.22% in terms of travel time, fuel consumption and CO₂ emissions as compared to other algorithms; also, similar performance patterns were achieved for the Birmingham test scenario.

An Improved Simulated Annealing Technique for Enhanced Mobility in Smart Cities

PubMed Central

Amer, Hayder; Salman, Naveed; Hawes, Matthew; Chaqfeh, Moumena; Mihaylova, Lyudmila; Mayfield, Martin

2016-01-01

Vehicular traffic congestion is a significant problem that arises in many cities. This is due to the increasing number of vehicles that are driving on city roads of limited capacity. The vehicular congestion significantly impacts travel distance, travel time, fuel consumption and air pollution. Avoidance of traffic congestion and providing drivers with optimal paths are not trivial tasks. The key contribution of this work consists of the developed approach for dynamic calculation of optimal traffic routes. Two attributes (the average travel speed of the traffic and the roads’ length) are utilized by the proposed method to find the optimal paths. The average travel speed values can be obtained from the sensors deployed in smart cities and communicated to vehicles via the Internet of Vehicles and roadside communication units. The performance of the proposed algorithm is compared to three other algorithms: the simulated annealing weighted sum, the simulated annealing technique for order preference by similarity to the ideal solution and the Dijkstra algorithm. The weighted sum and technique for order preference by similarity to the ideal solution methods are used to formulate different attributes in the simulated annealing cost function. According to the Sheffield scenario, simulation results show that the improved simulated annealing technique for order preference by similarity to the ideal solution method improves the traffic performance in the presence of congestion by an overall average of 19.22% in terms of travel time, fuel consumption and CO2 emissions as compared to other algorithms; also, similar performance patterns were achieved for the Birmingham test scenario. PMID:27376289

Advanced Modeling of Micromirror Devices

NASA Technical Reports Server (NTRS)

Michalicek, M. Adrian; Sene, Darren E.; Bright, Victor M.

1995-01-01

The flexure-beam micromirror device (FBMD) is a phase only piston style spatial light modulator demonstrating properties which can be used for phase adaptive corrective optics. This paper presents a complete study of a square FBMD, from advanced model development through final device testing and model verification. The model relates the electrical and mechanical properties of the device by equating the electrostatic force of a parallel-plate capacitor with the counter-acting spring force of the device's support flexures. The capacitor solution is derived via the Schwartz-Christoffel transformation such that the final solution accounts for non-ideal electric fields. The complete model describes the behavior of any piston-style device, given its design geometry and material properties. It includes operational parameters such as drive frequency and temperature, as well as fringing effects, mirror surface deformations, and cross-talk from neighboring devices. The steps taken to develop this model can be applied to other micromirrors, such as the cantilever and torsion-beam designs, to produce an advanced model for any given device. The micromirror devices studied in this paper were commercially fabricated in a surface micromachining process. A microscope-based laser interferometer is used to test the device in which a beam reflected from the device modulates a fixed reference beam. The mirror displacement is determined from the relative phase which generates a continuous set of data for each selected position on the mirror surface. Plots of this data describe the localized deflection as a function of drive voltage.

Krypton-81 in groundwater of the Culebra Dolomite near the Waste Isolation Pilot Plant, New Mexico

NASA Astrophysics Data System (ADS)

Sturchio, Neil C.; Kuhlman, Kristopher L.; Yokochi, Reika; Probst, Peter C.; Jiang, Wei; Lu, Zheng-Tian; Mueller, Peter; Yang, Guo-Min

2014-05-01

The Waste Isolation Pilot Plant (WIPP) in New Mexico is the first geologic repository for disposal of transuranic nuclear waste from defense-related programs of the US Department of Energy. It is constructed within halite beds of the Permian-age Salado Formation. The Culebra Dolomite, confined within Rustler Formation evaporites overlying the Salado Formation, is a potential pathway for radionuclide transport from the repository to the accessible environment in the human-disturbed repository scenario. Although extensive subsurface characterization and numerical flow modeling of groundwater has been done in the vicinity of the WIPP, few studies have used natural isotopic tracers to validate the flow models and to better understand solute transport at this site. The advent of Atom-Trap Trace Analysis (ATTA) has enabled routine measurement of cosmogenic 81Kr (half-life 229,000 yr), a near-ideal tracer for long-term groundwater transport. We measured 81Kr in saline groundwater sampled from two Culebra Dolomite monitoring wells near the WIPP site, and compared 81Kr model ages with reverse particle-tracking results of well-calibrated flow models. The 81Kr model ages are ~ 130,000 and ~ 330,000 yr for high-transmissivity and low-transmissivity portions of the formation, respectively. Compared with flow model results which indicate a relatively young mean hydraulic age (~ 32,000 yr), the 81Kr model ages imply substantial physical attenuation of conservative solutes in the Culebra Dolomite and provide limits on the effective diffusivity of contaminants into the confining aquitards.

Structural Sustainability - Heuristic Approach

NASA Astrophysics Data System (ADS)

Rostański, Krzysztof

2017-10-01

Nowadays, we are faced with a challenge of having to join building structures with elements of nature, which seems to be the paradigm of modern planning and design. The questions arise, however, with reference to the following categories: the leading idea, the relation between elements of nature and buildings, the features of a structure combining such elements and, finally, our perception of this structure. If we consider both the overwhelming globalization and our attempts to preserve local values, the only reasonable solution is to develop naturalistic greenery. It can add its uniqueness to any building and to any developed area. Our holistic model, presented in this paper, contains the above mentioned categories within the scope of naturalism. The model is divided into principles, actions related, and possible effects to be obtained. It provides a useful tool for determining the ways and priorities of our design. Although it is not possible to consider all possible actions and solutions in order to support sustainability in any particular design, we can choose, however, a proper mode for our design according to the local conditions by turning to the heuristic method, which helps to choose priorities and targets. Our approach is an attempt to follow the ways of nature as in the natural environment it is optimal solutions that appear and survive, idealism being the domain of mankind only. We try to describe various natural processes in a manner comprehensible to us, which is always a generalization. Such definitions, however, called artificial by naturalists, are presented as art or the current state of knowledge by artists and engineers. Reality, in fact, is always more complicated than its definitions. The heuristic method demonstrates the way how to optimize our design. It requires that all possible information about the local environment should be gathered, as the more is known, the fewer mistakes are made. Following the unquestionable principles, we can choose the related actions. As there is no need and, probably, no possibility to implement all of them in a particular case, we must find our own way. The holistic model shows the effects of our actions and thus enabling us to compare them with our own targets. Following the method will help us to make conscious decisions, but not to implement all possible tasks in our program. In nature, every species has its own capabilities to adjust and creates its habitat accordingly, disregarding the universal idea of taking all possible benefits offered by nature. In order to follow the principles of sustainability we have to act similarly. When designing we should rather try to approach perfection than create ideal solutions, because what is perceived as ideal at the present state of knowledge, will always be imperfect. The paper describes three case studies of the heuristic approach in landscape design. They are all located in Silesia, Poland. The first is GPP Business Park in Katowice, whose building and its surrounding with the greenery designed according to the discussed method received the Outstanding BREEAM Certification. The second is the recreation area of Rybaczowka near Strzelce Opolskie, whose redeveloping design won the highest rating in a government competition for the ecological fund investments. The third is Row Rudzki - an ecological area in the center of an industrial city.

Diffusion of Salt in Tap Water

ERIC Educational Resources Information Center

Booth, C.; And Others

1978-01-01

A simple experiment is described to measure the diffusion coefficient of a solute in a fluid. Laboratory-made floats are used to monitor the density changes associated with diffusion behavior. The experiment is ideally suited for undergraduate project work. (BB)

Irradiation effects on electrical properties of DNA solution/Al Schottky diodes

NASA Astrophysics Data System (ADS)

Al-Ta'ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Iwamoto, Mitsumasa

2018-04-01

Deoxyribonucleic acid (DNA) has emerged as one of the most exciting organic material and as such extensively studied as a smart electronic material since the last few decades. DNA molecules have been reported to be utilized in the fabrication of small-scaled sensors and devices. In this current work, the effect of alpha radiation on the electrical properties of an Al/DNA/Al device using DNA solution was studied. It was observed that the carrier transport was governed by electrical interface properties at the Al-DNA interface. Current ( I)-voltage ( V) curves were analyzed by employing the interface limited Schottky current equations, i.e., conventional and Cheung and Cheung's models. Schottky parameters such as ideality factor, barrier height and series resistance were also determined. The extracted barrier height of the Schottky contact before and after radiation was calculated as 0.7845, 0.7877, 0.7948 and 0.7874 eV for the non-radiated, 12, 24 and 36 mGy, respectively. Series resistance of the structure was found to decline with the increase in the irradiation, which was due to the increase in the free radical root effects in charge carriers in the DNA solution. Results pertaining to the electronic profiles obtained in this work may provide a better understanding for the development of precise and rapid radiation sensors using DNA solution.

A new equilibrium torus solution and GRMHD initial conditions

NASA Astrophysics Data System (ADS)

Penna, Robert F.; Kulkarni, Akshay; Narayan, Ramesh

2013-11-01

Context. General relativistic magnetohydrodynamic (GRMHD) simulations are providing influential models for black hole spin measurements, gamma ray bursts, and supermassive black hole feedback. Many of these simulations use the same initial condition: a rotating torus of fluid in hydrostatic equilibrium. A persistent concern is that simulation results sometimes depend on arbitrary features of the initial torus. For example, the Bernoulli parameter (which is related to outflows), appears to be controlled by the Bernoulli parameter of the initial torus. Aims: In this paper, we give a new equilibrium torus solution and describe two applications for the future. First, it can be used as a more physical initial condition for GRMHD simulations than earlier torus solutions. Second, it can be used in conjunction with earlier torus solutions to isolate the simulation results that depend on initial conditions. Methods: We assume axisymmetry, an ideal gas equation of state, constant entropy, and ignore self-gravity. We fix an angular momentum distribution and solve the relativistic Euler equations in the Kerr metric. Results: The Bernoulli parameter, rotation rate, and geometrical thickness of the torus can be adjusted independently. Our torus tends to be more bound and have a larger radial extent than earlier torus solutions. Conclusions: While this paper was in preparation, several GRMHD simulations appeared based on our equilibrium torus. We believe it will continue to provide a more realistic starting point for future simulations.

Macromolecular powder diffraction : structure solution via molecular.

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

Doebbler, J.; Von Dreele, R.; X-Ray Science Division

Macromolecular powder diffraction is a burgeoning technique for protein structure solution - ideally suited for cases where no suitable single crystals are available. Over the past seven years, pioneering work by Von Dreele et al. [1,2] and Margiolaki et al. [3,4] has demonstrated the viability of this approach for several protein structures. Among these initial powder studies, molecular replacement solutions of insulin and turkey lysozyme into alternate space groups were accomplished. Pressing the technique further, Margiolaki et al. [5] executed the first molecular replacement of an unknown protein structure: the SH3 domain of ponsin, using data from a multianalyzer diffractometer.more » To demonstrate that cross-species molecular replacement using image plate data is also possible, we present the solution of hen egg white lysozyme using the 60% identical human lysozyme (PDB code: 1LZ1) as the search model. Due to the high incidence of overlaps in powder patterns, especially in more complex structures, we have used extracted intensities from five data sets taken at different salt concentrations in a multi-pattern Pawley refinement. The use of image plates severely increases the overlap problem due to lower detector resolution, but radiation damage effects are minimized with shorter exposure times and the fact that the entire pattern is obtained in a single exposure. This image plate solution establishes the robustness of powder molecular replacement resulting from different data collection techniques.« less

An Onsager Singularity Theorem for Turbulent Solutions of Compressible Euler Equations

NASA Astrophysics Data System (ADS)

Drivas, Theodore D.; Eyink, Gregory L.

2017-12-01

We prove that bounded weak solutions of the compressible Euler equations will conserve thermodynamic entropy unless the solution fields have sufficiently low space-time Besov regularity. A quantity measuring kinetic energy cascade will also vanish for such Euler solutions, unless the same singularity conditions are satisfied. It is shown furthermore that strong limits of solutions of compressible Navier-Stokes equations that are bounded and exhibit anomalous dissipation are weak Euler solutions. These inviscid limit solutions have non-negative anomalous entropy production and kinetic energy dissipation, with both vanishing when solutions are above the critical degree of Besov regularity. Stationary, planar shocks in Euclidean space with an ideal-gas equation of state provide simple examples that satisfy the conditions of our theorems and which demonstrate sharpness of our L 3-based conditions. These conditions involve space-time Besov regularity, but we show that they are satisfied by Euler solutions that possess similar space regularity uniformly in time.

Non-ideal magnetohydrodynamics on a moving mesh

NASA Astrophysics Data System (ADS)

Marinacci, Federico; Vogelsberger, Mark; Kannan, Rahul; Mocz, Philip; Pakmor, Rüdiger; Springel, Volker

2018-05-01

In certain astrophysical systems, the commonly employed ideal magnetohydrodynamics (MHD) approximation breaks down. Here, we introduce novel explicit and implicit numerical schemes of ohmic resistivity terms in the moving-mesh code AREPO. We include these non-ideal terms for two MHD techniques: the Powell 8-wave formalism and a constrained transport scheme, which evolves the cell-centred magnetic vector potential. We test our implementation against problems of increasing complexity, such as one- and two-dimensional diffusion problems, and the evolution of progressive and stationary Alfvén waves. On these test problems, our implementation recovers the analytic solutions to second-order accuracy. As first applications, we investigate the tearing instability in magnetized plasmas and the gravitational collapse of a rotating magnetized gas cloud. In both systems, resistivity plays a key role. In the former case, it allows for the development of the tearing instability through reconnection of the magnetic field lines. In the latter, the adopted (constant) value of ohmic resistivity has an impact on both the gas distribution around the emerging protostar and the mass loading of magnetically driven outflows. Our new non-ideal MHD implementation opens up the possibility to study magneto-hydrodynamical systems on a moving mesh beyond the ideal MHD approximation.

Effect of pressure fluctuations on Richtmyer-Meshkov coherent structures

NASA Astrophysics Data System (ADS)

Bhowmick, Aklant K.; Abarzhi, Snezhana

2016-11-01

We investigate the formation and evolution of Richtmyer Meshkov bubbles after the passage of a shock wave across a two fluid interface in the presence of pressure fluctuations. The fluids are ideal and incompressible and the pressure fluctuations are scale invariant in space and time, and are modeled by a power law time dependent acceleration field with exponent -2. Solutions indicate sensitivity to pressure fluctuations. In the linear regime, the growth of curvature and bubble velocity is linear. The growth rate is dominated by the initial velocity for weak pressure fluctuations, and by the acceleration term for strong pressure fluctuations. In the non-linear regime, the bubble curvature is constant and the solutions form a one parameter family (parametrized by the bubble curvature). The solutions are shown to be convergent and asymptotically stable. The physical solution (stable fastest growing) is a flat bubble for small pressure fluctuations and a curved bubble for large pressure fluctuations. The velocity field (in the frame of references accounting for the background motion) involves intense motion of the fluids in a vicinity of the interface, effectively no motion of the fluids away from the interfaces, and formation of vortical structures at the interface. The work is supported by the US National Science Foundation.

Effect of pressure fluctuations on Richtmyer-Meshkov coherent structures

NASA Astrophysics Data System (ADS)

Bhowmick, Aklant K.; Abarzhi, Snezhana

2016-10-01

We investigate the formation and evolution of Richtmyer Meshkov bubbles after the passage of a shock wave across a two fluid interface in the presence of pressure fluctuations. The fluids are ideal and incompressible and the pressure fluctuations are scale invariant in space and time, and are modeled by a power law time dependent acceleration field with exponent -2. Solutions indicate sensitivity to pressure fluctuations. In the linear regime, the growth of curvature and bubble velocity is linear. The growth rate is dominated by the initial velocity for weak pressure fluctuations, and by the acceleration term for strong pressure fluctuations. In the non-linear regime, the bubble curvature is constant and the solutions form a one parameter family (parametrized by the bubble curvature). The solutions are shown to be convergent and asymptotically stable. The physical solution (stable fastest growing) is a flat bubble for small pressure fluctuations and a curved bubble for large pressure fluctuations. The velocity field (in the frame of references accounting for the background motion) involves intense motion of the fluids in a vicinity of the interface, effectively no motion of the fluids away from the interfaces, and formation of vortical structures at the interface. The work is supported by the US National Science Foundation.

A new standard pulsar magnetosphere

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

Contopoulos, Ioannis; Kalapotharakos, Constantinos; Kazanas, Demosthenes, E-mail: icontop@academyofathens.gr

2014-01-20

In view of recent efforts to probe the physical conditions in the pulsar current sheet, we revisit the standard solution that describes the main elements of the ideal force-free pulsar magnetosphere. The simple physical requirement that the electric current contained in the current layer consists of the local electric charge moving outward at close to the speed of light yields a new solution for the pulsar magnetosphere everywhere that is ideal force-free except in the current layer. The main elements of the new solution are as follows: (1) the pulsar spindown rate of the aligned rotator is 23% larger thanmore » that of the orthogonal vacuum rotator; (2) only 60% of the magnetic flux that crosses the light cylinder opens up to infinity; (3) the electric current closes along the other 40%, which gradually converges to the equator; (4) this transfers 40% of the total pulsar spindown energy flux in the equatorial current sheet, which is then dissipated in the acceleration of particles and in high-energy electromagnetic radiation; and (5) there is no separatrix current layer. Our solution is a minimum free-parameter solution in that the equatorial current layer is electrostatically supported against collapse and thus does not require a thermal particle population. In this respect, it is one more step toward the development of a new standard solution. We discuss the implications for intermittent pulsars and long-duration gamma-ray bursts. We conclude that the physical conditions in the equatorial current layer determine the global structure of the pulsar magnetosphere.« less

Evidence for transbilayer, tail-to-tail cholesterol dimers in dipalmitoylglycerophosphocholine liposomes.

PubMed

Harris, J S; Epps, D E; Davio, S R; Kézdy, F J

1995-03-21

The behavior of multilamellar liposomes of 2,3-dipalmitoyl-sn-glycero-1-phosphocholine (DPPC) was studied by differential scanning calorimetry (DSC) in the presence of < or = 5 mol % of the amphiphilic solutes methyl oleate, cholesterol, pregnenolone, and dehydroandrosterone. The DSC thermograms indicate that the solutes are miscible only with the liquid-disordered (Id) phase, and not with the solid-ordered (so) phase. The slopes of the Tm vs solute concentration curves confirm this conclusion: It appears that the so-1d phase transition of DPPC, which corresponds to the melting of the phospholipid chains, can be treated as a simple melting process and, thus, could be used as a cryoscopic system. In that case, its melting point depression constant, Kf, can be calculated a priori from the experimentally measured heat of fusion per gram of DPPC, lf, and the temperature of the phase transition of pure DPPC, T(o), by the equation Kf = RTo2/(1000lf) = 12.3 +/- 0.9 K g M-1 cm3. With methyl oleate as the solute, the Tm vs methyl oleate concentration plot is linear, and from the slope we calculate Kf = 12.9 +/- 0.8 K g M-1 cm3. Thus, methyl oleate appears to form an ideal cryoscopic system with dipalmitoyllecithin liposomes: It is fully miscible with the 1d phase but is apparently insoluble in the s(o) phase. Pregnenolone and dehydroandrosterone also form ideal cryoscopic systems with dipalmitoyllecithin liposomes: The Tm vs solute concentration plots are linear and yield the correct MWs for these solutes.(ABSTRACT TRUNCATED AT 250 WORDS)

The Dynamical Core Model Intercomparison Project (DCMIP-2016): Results of the Supercell Test Case

NASA Astrophysics Data System (ADS)

Zarzycki, C. M.; Reed, K. A.; Jablonowski, C.; Ullrich, P. A.; Kent, J.; Lauritzen, P. H.; Nair, R. D.

2016-12-01

The 2016 Dynamical Core Model Intercomparison Project (DCMIP-2016) assesses the modeling techniques for global climate and weather models and was recently held at the National Center for Atmospheric Research (NCAR) in conjunction with a two-week summer school. Over 12 different international modeling groups participated in DCMIP-2016 and focused on the evaluation of the newest non-hydrostatic dynamical core designs for future high-resolution weather and climate models. The paper highlights the results of the third DCMIP-2016 test case, which is an idealized supercell storm on a reduced-radius Earth. The supercell storm test permits the study of a non-hydrostatic moist flow field with strong vertical velocities and associated precipitation. This test assesses the behavior of global modeling systems at extremely high spatial resolution and is used in the development of next-generation numerical weather prediction capabilities. In this regime the effective grid spacing is very similar to the horizontal scale of convective plumes, emphasizing resolved non-hydrostatic dynamics. The supercell test case sheds light on the physics-dynamics interplay and highlights the impact of diffusion on model solutions.

Analysis of Viking infrared thermal mapping data of Mars. The effects of non-ideal surfaces on the derived thermal properties of Mars

NASA Technical Reports Server (NTRS)

Muhleman, D. O.; Jakosky, B. M.

1979-01-01

The thermal interia of the surface of Mars varies spatially by a factor of eight. This is attributable to changes in the average particle size of the fine material, the surface elevation, the atmospheric opacity due to dust, and the fraction of the surface covered by rocks and fine material. The effects of these non-ideal properties on the surface temperatures and derived thermal inertias are modeled, along with the the effects of slopes, CO2 condensed onto the surface, and layering of fine material upon solid rock. The non-ideal models are capable of producing thermal behavior similar to that observed by the Viking Infrared Thermal Mapper, including a morning delay in the post-dawn temperature rise and an enhanced cooling in the afternoon relative to any ideal, homogeneous model. The enhanced afternoon cooling observed at the Viking-1 landing site is reproduced by the non-ideal models while that atop Arsia Mons volcano is not, but may be attributed to the observing geometry.

Modeling underwater noise propagation from marine hydrokinetic power devices through a time-domain, velocity-pressure solution

DOE PAGES

Hafla, Erin; Johnson, Erick; Johnson, C. Nathan; ...

2018-06-01

Marine hydrokinetic (MHK) devices generate electricity from the motion of tidal and ocean currents, as well as ocean waves, to provide an additional source of renewable energy available to the United States. These devices are a source of anthropogenic noise in the marine ecosystem and must meet regulatory guidelines that mandate a maximum amount of noise that may be generated. In the absence of measured levels from in situ deployments, a model for predicting the propagation of sound from an array of MHK sources in a real environment is essential. A set of coupled, linearized velocity-pressure equations in the time-domainmore » are derived and presented in this paper, which are an alternative solution to the Helmholtz and wave equation methods traditionally employed. Discretizing these equations on a three-dimensional (3D), finite-difference grid ultimately permits a finite number of complex sources and spatially varying sound speeds, bathymetry, and bed composition. The solution to this system of equations has been parallelized in an acoustic-wave propagation package developed at Sandia National Labs, called Paracousti. This work presents the broadband sound pressure levels from a single source in two-dimensional (2D) ideal and Pekeris wave-guides and in a 3D domain with a sloping boundary. Furthermore, the paper concludes with demonstration of Paracousti for an array of MHK sources in a simple wave-guide.« less

Analysis of Self-Associating Proteins by Singular Value Decomposition of Solution Scattering Data

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

Williamson, Tim E.; Craig, Bruce A.; Kondrashkina, Elena

2008-07-08

We describe a method by which a single experiment can reveal both association model (pathway and constants) and low-resolution structures of a self-associating system. Small-angle scattering data are collected from solutions at a range of concentrations. These scattering data curves are mass-weighted linear combinations of the scattering from each oligomer. Singular value decomposition of the data yields a set of basis vectors from which the scattering curve for each oligomer is reconstructed using coefficients that depend on the association model. A search identifies the association pathway and constants that provide the best agreement between reconstructed and observed data. Using simulatedmore » data with realistic noise, our method finds the correct pathway and association constants. Depending on the simulation parameters, reconstructed curves for each oligomer differ from the ideal by 0.050.99% in median absolute relative deviation. The reconstructed scattering curves are fundamental to further analysis, including interatomic distance distribution calculation and low-resolution ab initio shape reconstruction of each oligomer in solution. This method can be applied to x-ray or neutron scattering data from small angles to moderate (or higher) resolution. Data can be taken under physiological conditions, or particular conditions (e.g., temperature) can be varied to extract fundamental association parameters ({Delta}H{sub ass}, S{sub ass}).« less

Modeling underwater noise propagation from marine hydrokinetic power devices through a time-domain, velocity-pressure solution

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

Hafla, Erin; Johnson, Erick; Johnson, C. Nathan

Marine hydrokinetic (MHK) devices generate electricity from the motion of tidal and ocean currents, as well as ocean waves, to provide an additional source of renewable energy available to the United States. These devices are a source of anthropogenic noise in the marine ecosystem and must meet regulatory guidelines that mandate a maximum amount of noise that may be generated. In the absence of measured levels from in situ deployments, a model for predicting the propagation of sound from an array of MHK sources in a real environment is essential. A set of coupled, linearized velocity-pressure equations in the time-domainmore » are derived and presented in this paper, which are an alternative solution to the Helmholtz and wave equation methods traditionally employed. Discretizing these equations on a three-dimensional (3D), finite-difference grid ultimately permits a finite number of complex sources and spatially varying sound speeds, bathymetry, and bed composition. The solution to this system of equations has been parallelized in an acoustic-wave propagation package developed at Sandia National Labs, called Paracousti. This work presents the broadband sound pressure levels from a single source in two-dimensional (2D) ideal and Pekeris wave-guides and in a 3D domain with a sloping boundary. Furthermore, the paper concludes with demonstration of Paracousti for an array of MHK sources in a simple wave-guide.« less

Paradox of enrichment: A fractional differential approach with memory

NASA Astrophysics Data System (ADS)

Rana, Sourav; Bhattacharya, Sabyasachi; Pal, Joydeep; N'Guérékata, Gaston M.; Chattopadhyay, Joydev

2013-09-01

The paradox of enrichment (PoE) proposed by Rosenzweig [M. Rosenzweig, The paradox of enrichment, Science 171 (1971) 385-387] is still a fundamental problem in ecology. Most of the solutions have been proposed at an individual species level of organization and solutions at community level are lacking. Knowledge of how learning and memory modify behavioral responses to species is a key factor in making a crucial link between species and community levels. PoE resolution via these two organizational levels can be interpreted as a microscopic- and macroscopic-level solution. Fractional derivatives provide an excellent tool for describing this memory and the hereditary properties of various materials and processes. The derivatives can be physically interpreted via two time scales that are considered simultaneously: the ideal, equably flowing homogeneous local time, and the cosmic (inhomogeneous) non-local time. Several mechanisms and theories have been proposed to resolve the PoE problem, but a universally accepted theory is still lacking because most studies have focused on local effects and ignored non-local effects, which capture memory. Here we formulate the fractional counterpart of the Rosenzweig model and analyze the stability behavior of a system. We conclude that there is a threshold for the memory effect parameter beyond which the Rosenzweig model is stable and may be used as a potential agent to resolve PoE from a new perspective via fractional differential equations.

Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution

PubMed Central

Bauzá, Antonio; Quiñonero, David; Frontera, Antonio; Ballester, Pablo

2015-01-01

In this manuscript we consider from a theoretical point of view the recently reported experimental quantification of anion–π interactions (the attractive force between electron deficient aromatic rings and anions) in solution using aryl extended calix[4]pyrrole receptors as model systems. Experimentally, two series of calix[4]pyrrole receptors functionalized, respectively, with two and four aryl rings at the meso positions, were used to assess the strength of chloride–π interactions in acetonitrile solution. As a result of these studies the contribution of each individual chloride–π interaction was quantified to be very small (<1 kcal/mol). This result is in contrast with the values derived from most theoretical calculations. Herein we report a theoretical study using high-level density functional theory (DFT) calculations that provides a plausible explanation for the observed disagreement between theory and experiment. The study reveals the existence of molecular interactions between solvent molecules and the aromatic walls of the receptors that strongly modulate the chloride–π interaction. In addition, the obtained theoretical results also suggest that the chloride-calix[4]pyrrole complex used as reference to dissect experimentally the contribution of the chloride–π interactions to the total binding energy for both the two and four-wall aryl-extended calix[4]pyrrole model systems is probably not ideal. PMID:25913375

Rapid optimization of multiple-burn rocket flights.

NASA Technical Reports Server (NTRS)

Brown, K. R.; Harrold, E. F.; Johnson, G. W.

1972-01-01

Different formulations of the fuel optimization problem for multiple burn trajectories are considered. It is shown that certain customary idealizing assumptions lead to an ill-posed optimization problem for which no solution exists. Several ways are discussed for avoiding such difficulties by more realistic problem statements. An iterative solution of the boundary value problem is presented together with efficient coast arc computations, the right end conditions for various orbital missions, and some test results.

Determination of Hydraulic and Transport Parameters of Organic Chemical and Inorganic Anions Solutes for Unfractured Cores of Berea Sandstone Using a Hydraulic Coreholder

NASA Astrophysics Data System (ADS)

Blanford, W. J.; Neil, L.

2017-12-01

To better evaluate the potential for toxic organic chemicals to migrate upward through the rock strata from hydraulic fracturing zones and into groundwater resources, a series of miscible displacement solute transport studies of cores of Berea Sandstone have been conducted using hydrostatic core holder. These tests involved passing aqueous solutions with natural background level of salts using a high pressure LC pump through 2 in wide by 3 in long unfractured cores held within the holder. Relative solute transport of 100 to 500ml pulses of target solutes including a series of chlorinated solvents and methylated benzenes was measured through in-line UV and fluorescence detectors and manual sampling and analysis with GCMS. The results found these sandstones to result in smooth ideal shaped breakthrough curves. Analysis with 1D transport models (CXTFIT) of the results found strong correlation with chemical parameters (diffusion coefficients, aqueous solubility, and octanol-water partitioning coefficients) showing that these parameter and QSPR relationships can be used to make accurate predictions for such a system. In addition to the results of the studies, lessons learned from this novel use of a coreholder for evaluation of porosity, water-saturated permeability, and solute transport of these sandstones (K = 1.5cm/day) and far less permeable sandstones samples (K = 0.15 cm/yr) from a hydraulic fracturing site in central Pennsylvania will be presented.

A Methodology for Calculating EGS Electricity Generation Potential Based on the Gringarten Model for Heat Extraction From Fractured Rock

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

Augustine, Chad

Existing methodologies for estimating the electricity generation potential of Enhanced Geothermal Systems (EGS) assume thermal recovery factors of 5% or less, resulting in relatively low volumetric electricity generation potentials for EGS reservoirs. This study proposes and develops a methodology for calculating EGS electricity generation potential based on the Gringarten conceptual model and analytical solution for heat extraction from fractured rock. The electricity generation potential of a cubic kilometer of rock as a function of temperature is calculated assuming limits on the allowed produced water temperature decline and reservoir lifetime based on surface power plant constraints. The resulting estimates of EGSmore » electricity generation potential can be one to nearly two-orders of magnitude larger than those from existing methodologies. The flow per unit fracture surface area from the Gringarten solution is found to be a key term in describing the conceptual reservoir behavior. The methodology can be applied to aid in the design of EGS reservoirs by giving minimum reservoir volume, fracture spacing, number of fractures, and flow requirements for a target reservoir power output. Limitations of the idealized model compared to actual reservoir performance and the implications on reservoir design are discussed.« less

Impact of droplet evaporation rate on resulting in vitro performance parameters of pressurized metered dose inhalers.

PubMed

Sheth, Poonam; Grimes, Matthew R; Stein, Stephen W; Myrdal, Paul B

2017-08-07

Pressurized metered dose inhalers (pMDIs) are widely used for the treatment of pulmonary diseases. The overall efficiency of pMDI drug delivery may be defined by in vitro parameters such as the amount of drug that deposits on the model throat and the proportion of the emitted dose that has particles that are sufficiently small to deposit in the lung (i.e., fine particle fraction, FPF). The study presented examines product performance of ten solution pMDI formulations containing a variety of cosolvents with diverse chemical characteristics by cascade impaction with three inlets (USP induction port, Alberta Idealized Throat, and a large volume chamber). Through the data generated in support of this study, it was demonstrated that throat deposition, cascade impactor deposition, FPF, and mass median aerodynamic diameter of solution pMDIs depend on the concentration and vapor pressure of the cosolvent, and the selection of model throat. Theoretical droplet lifetimes were calculated for each formulation using a discrete two-stage evaporation process model and it was determined that the droplet lifetime is highly correlated to throat deposition and FPF indicating that evaporation kinetics significantly influences pMDI drug delivery. Copyright © 2017 Elsevier B.V. All rights reserved.

Approximate analysis of the formation of a buoyant solid sphere in a supercooled melt

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

Solomon, A.D.; Wilson, D.G.; Alexiades, V.

1986-03-01

A mathematical model is presented for the idealized formation and development of a buoyant sphere solidifying in an infinite pool of supercooled liquid. The solid and liquid are of the same pure material and the solid is less dense than the liquid. Initially the liquid is at a uniform temperature that is below its equilibrium freezing temperature, T/sub cr/, but above the so called hypercooled temperature, T/sub cr/ - H/c/sub L/. Here H and c/sub L/ are the latent heat of solidification and the specific heat of the liquid, respectively. An approximate solution is derived based on the Megerlin approximationmore » method. 11 refs.« less

GIS as a tool for efficient management of transport streams

NASA Astrophysics Data System (ADS)

Zatserkovnyi, V. I.; Kobrin, O. V.

2015-10-01

The transport network, which is an ideal object for the automation and the increase of efficiency using geographic information systems (GIS), is considered. The transport problems, which have a lot of mathematical models of the traffic flow for their solution, are enumerated. GIS analysis tools that allow one to build optimal routes in the real road network with its capabilities and limitations are presented. They can solve the extremely important problem of modern Ukraine - the rapid increase of the number of cars and the glut of road network vehicles. The intelligent transport systems, which are created and developed on the basis of GPS, GIS, modern communications and telecommunications facilities, are considered.

Cloud computing for genomic data analysis and collaboration.

PubMed

Langmead, Ben; Nellore, Abhinav

2018-04-01

Next-generation sequencing has made major strides in the past decade. Studies based on large sequencing data sets are growing in number, and public archives for raw sequencing data have been doubling in size every 18 months. Leveraging these data requires researchers to use large-scale computational resources. Cloud computing, a model whereby users rent computers and storage from large data centres, is a solution that is gaining traction in genomics research. Here, we describe how cloud computing is used in genomics for research and large-scale collaborations, and argue that its elasticity, reproducibility and privacy features make it ideally suited for the large-scale reanalysis of publicly available archived data, including privacy-protected data.

High-frequency modes in a two-dimensional rectangular room with windows

NASA Astrophysics Data System (ADS)

Shabalina, E. D.; Shirgina, N. V.; Shanin, A. V.

2010-07-01

We examine a two-dimensional model problem of architectural acoustics on sound propagation in a rectangular room with windows. It is supposed that the walls are ideally flat and hard; the windows absorb all energy that falls upon them. We search for the modes of such a room having minimal attenuation indices, which have the expressed structure of billiard trajectories. The main attenuation mechanism for such modes is diffraction at the edges of the windows. We construct estimates for the attenuation indices of the given modes based on the solution to the Weinstein problem. We formulate diffraction problems similar to the statement of the Weinstein problem that describe the attenuation of billiard modes in complex situations.

Information system of quality assessment for liquid and gaseous medium production

NASA Astrophysics Data System (ADS)

Bobrov, V. N.; Us, N. A.; Davidov, I. S.

2018-05-01

A method and a technical solution for controlling the quality of production of liquid and gaseous media is proposed. It is also proposed to monitor harmful factors in production while ensuring safe working conditions. Initially, using the mathematical model of an ideal atmosphere, the projection to the horizontal surface of the observation trajectory is calculated. At the second stage, the horizontal projection of the observation trajectory in real conditions is measured. The quality of the medium is judged by the difference between the projections of observation trajectories. The technical result is presented in the form of a device allowing obtaining information about the quality of the medium under investigation.

Prediction of molecular separation of polar-apolar mixtures on heterogeneous metal-organic frameworks: HKUST-1.

PubMed

Van Assche, Tom R C; Duerinck, Tim; Van der Perre, Stijn; Baron, Gino V; Denayer, Joeri F M

2014-07-08

Due to the combination of metal ions and organic linkers and the presence of different types of cages and channels, metal-organic frameworks often possess a large structural and chemical heterogeneity, complicating their adsorption behavior, especially for polar-apolar adsorbate mixtures. By allocating isotherms to individual subunits in the structure, the ideal adsorbed solution theory (IAST) can be adjusted to cope with this heterogeneity. The binary adsorption of methanol and n-hexane on HKUST-1 is analyzed using this segregated IAST (SIAST) approach and offers a significant improvement over the standard IAST model predictions. It identifies the various HKUST-1 cages to have a pronounced polar or apolar adsorptive behavior.

Analytical and Finite Element Modeling of Nanomembranes for Miniaturized, Continuous Hemodialysis

PubMed Central

Burgin, Tucker; Johnson, Dean; Chung, Henry; Clark, Alfred; McGrath, James

2015-01-01

Hemodialysis involves large, periodic treatment doses using large-area membranes. If the permeability of dialysis membranes could be increased, it would reduce the necessary dialyzer size and could enable a wearable device that administers a continuous, low dose treatment of chronic kidney disease. This paper explores the application of ultrathin silicon membranes to this purpose, by way of analytical and finite element models of diffusive and convective transport of plasma solutes during hemodialysis, which we show to be predictive of experimental results. A proof-of-concept miniature nanomembrane dialyzer design is then proposed and analytically predicted to clear uremic toxins at near-ideal levels, as measured by several markers of dialysis adequacy. This work suggests the feasibility of miniature nanomembrane-based dialyzers that achieve therapeutic levels of uremic toxin clearance for patients with kidney failure. PMID:26729179

Permissive hypotension in bleeding trauma patients: helpful or not and when?

PubMed

Gourgiotis, Stavros; Gemenetzis, George; Kocher, Hemant M; Aloizos, Stavros; Salemis, Nikolaos S; Grammenos, Stylianos

2013-12-01

Severity of hemorrhage and rate of bleeding are fundamental factors in the outcomes of trauma. Intravenous administration of fluid is the basic treatment to maintain blood pressure until bleeding is controlled. The main guideline, used almost worldwide, Advanced Trauma Life Support, established by the American College of Surgeons in 1976, calls for aggressive administration of intravenous fluids, primarily crystalloid solutions. Several other guidelines, such as Prehospital Trauma Life Support, Trauma Evaluation and Management, and Advanced Trauma Operative Management, are applied according to a patient's current condition. However, the ideal strategy remains unclear. With permissive hypotension, also known as hypotensive resuscitation, fluid administration is less aggressive. The available models of permissive hypotension are based on hypotheses in hypovolemic physiology and restricted clinical trials in animals. Before these models can be used in patients, randomized, controlled clinical trials are necessary.

Computer model of two-dimensional solute transport and dispersion in ground water

USGS Publications Warehouse

Konikow, Leonard F.; Bredehoeft, J.D.

1978-01-01

This report presents a model that simulates solute transport in flowing ground water. The model is both general and flexible in that it can be applied to a wide range of problem types. It is applicable to one- or two-dimensional problems involving steady-state or transient flow. The model computes changes in concentration over time caused by the processes of convective transport, hydrodynamic dispersion, and mixing (or dilution) from fluid sources. The model assumes that the solute is non-reactive and that gradients of fluid density, viscosity, and temperature do not affect the velocity distribution. However, the aquifer may be heterogeneous and (or) anisotropic. The model couples the ground-water flow equation with the solute-transport equation. The digital computer program uses an alternating-direction implicit procedure to solve a finite-difference approximation to the ground-water flow equation, and it uses the method of characteristics to solve the solute-transport equation. The latter uses a particle- tracking procedure to represent convective transport and a two-step explicit procedure to solve a finite-difference equation that describes the effects of hydrodynamic dispersion, fluid sources and sinks, and divergence of velocity. This explicit procedure has several stability criteria, but the consequent time-step limitations are automatically determined by the program. The report includes a listing of the computer program, which is written in FORTRAN IV and contains about 2,000 lines. The model is based on a rectangular, block-centered, finite difference grid. It allows the specification of any number of injection or withdrawal wells and of spatially varying diffuse recharge or discharge, saturated thickness, transmissivity, boundary conditions, and initial heads and concentrations. The program also permits the designation of up to five nodes as observation points, for which a summary table of head and concentration versus time is printed at the end of the calculations. The data input formats for the model require three data cards and from seven to nine data sets to describe the aquifer properties, boundaries, and stresses. The accuracy of the model was evaluated for two idealized problems for which analytical solutions could be obtained. In the case of one-dimensional flow the agreement was nearly exact, but in the case of plane radial flow a small amount of numerical dispersion occurred. An analysis of several test problems indicates that the error in the mass balance will be generally less than 10 percent. The test problems demonstrated that the accuracy and precision of the numerical solution is sensitive to the initial number of particles placed in each cell and to the size of the time increment, as determined by the stability criteria. Mass balance errors are commonly the greatest during the first several time increments, but tend to decrease and stabilize with time.

Critical zone structure controls concentration-discharge relationships and solute generation in forested tropical montane watersheds

NASA Astrophysics Data System (ADS)

Wymore, Adam S.; Brereton, Richard L.; Ibarra, Daniel E.; Maher, Kate; McDowell, William H.

2017-07-01

Concentration-discharge (C-Q) relationships are poorly known for tropical watersheds, even though the tropics contribute a disproportionate amount of solutes to the global ocean. The Luquillo Mountains in Puerto Rico offer an ideal environment to examine C-Q relationships across a heterogeneous tropical landscape. We use 10-30 years of weekly stream chemistry data across 10 watersheds to examine C-Q relationships for weathering products (SiO2(aq), Ca2+, Mg2+, and Na+) and biologically controlled solutes (dissolved organic carbon [DOC], dissolved organic nitrogen [DON], NH4+, NO3-, PO43-, K+, and SO42-). We analyze C-Q relationships using power law equations and a solute production model and use principal component analysis to test hypotheses regarding how the structure of the critical zone controls solute generation. Volcaniclastic watersheds had higher concentrations of weathering solutes and smaller tributaries were approximately threefold more efficient at generating these solutes than larger rivers. Lithology and vegetation explained a significant amount of variation in the theoretical maximum concentrations of weathering solutes (r2 = 0.43-0.48) and in the C-Q relationships of PO43- (r2 = 0.63) and SiO2(aq) (r2 = 0.47). However, the direction and magnitude of these relationships varied. Across watersheds, various forms of N and P displayed variable C-Q relationships, while DOC was consistently enriched with increasing discharge. Results suggest that PO43- may be a useful indicator of watershed function. Relationships between C-Q and landscape characteristics indicate the extent to which the structure and function of the Critical zone controls watershed solute fluxes.

Modelling Wireless Power Transfer Using an Array of Tesla Coils

NASA Astrophysics Data System (ADS)

Pierson, Casey Thomas

Wireless power transmission, or WPT, is a well-demonstrated property in electrical science and physics. Coil-and-wave transmission (CWT) consists of two Tesla coils, one powered by a controlled voltage source v src and one connected across a generic load Z 0 , at a mid- to long range distance apart with spherical capacitors at each of their top loads. The literature on the different methods of WPT varies widely, but research of CWT is sparse, lacking especially in the area of computer simulation. Recently, a physical experiment was conducted by Marzolf et al. in [1], and yielded surprising resonant frequencies in the high frequency range. The goal of this research is to answer the question of whether these reosnant frequencies originate in unexplained field effects or in non-ideal circuit behavior, and establish a formal model to indicate at what frequencies the resonant peaks occur as a first approximation. By carefully constructing a simulation of the most geometrically simple, power efficient design in the work of Marzolf et al. using the scientific software Octave, we investigate these frequencies computationally: first, an ideal scenario that has no flux leakage or exterior losses is modelled mathematically and simulated, and then, a non-ideal scenario that accounts for losses in the coils and surroundings is modelled mathematically and simulated. Both models utilize a simple formula for spherical capacitance for the top loads. After running these simulations through detailed sampling up to 4 MHz, the ideal model could not account for the resonant peaks, while the non-ideal model indicated the resonant peaks near the exact frequency ranges that were observed. An unexpected characteristic of these results was that coupling coefficients between the coils of the transmitter and receiver played a noticeable part in the indication of resonant peaks. This demonstrates that unknown field effects are not the primary driver of resonance in the ideal or non-ideal construction, and raises inriguing questions about the circuit design's relationship with resonance in the locality about the coils.

Extension and application of the Preissmann slot model to 2D transient mixed flows

NASA Astrophysics Data System (ADS)

Maranzoni, Andrea; Dazzi, Susanna; Aureli, Francesca; Mignosa, Paolo

2015-08-01

This paper presents an extension of the Preissmann slot concept for the modeling of highly transient two-dimensional (2D) mixed flows. The classic conservative formulation of the 2D shallow water equations for free surface flows is adapted by assuming that two fictitious vertical slots, aligned along the two Cartesian plane directions and normally intersecting, are added on the ceiling of each integration element. Accordingly, transitions between free surface and pressurized flow can be handled in a natural and straightforward way by using the same set of governing equations. The opportunity of coupling free surface and pressurized flows is actually useful not only in one-dimensional (1D) problems concerning sewer systems but also for modeling 2D flooding phenomena in which the pressurization of bridges, culverts, or other crossing hydraulic structures can be expected. Numerical simulations are performed by using a shock-capturing MUSCL-Hancock finite volume scheme combined with the FORCE (First-Order Centred) solver for the evaluation of the numerical fluxes. The validation of the mathematical model is accomplished on the basis of both exact solutions of 1D discontinuous initial value problems and reference radial solutions of idealized test cases with cylindrical symmetry. Furthermore, the capability of the model to deal with practical field-scale applications is assessed by simulating the transit of a bore under an arch bridge. Numerical results show that the proposed model is suitable for the prediction of highly transient 2D mixed flows.

A Modification of the Levich Model to Flux at a Rotating Disk in the presence of Planktonic Bacteria

NASA Astrophysics Data System (ADS)

Jones, Akhenaton-Andrew; Buie, Cullen

2015-11-01

The Levich model of flow at a rotating disk describes convective mass transport to a disk when edge effects and wall effects can be neglected. It is used to interpret electrochemical reaction kinetics and electrochemical impedance of flow systems. The solution has been shown to be invalid for high densities (~ 1 % v/v) of inert, non-motile nano-sized particles (<0.1 μm) and macro-particles (>1.5 μm), yet little work has been done for motile bacteria and bacterial sized particles. The influence of planktonic bacteria on rotating disk experiments is crucial for the evaluation of electrochemically active biofilms. In this work, we show that the presence of bacteria creates significant deviation from the ideal Levich model not shared by inert particles. We also study the impact of dead (fixed) bacteria on deviation form the Levich model. This work has implications for studies of microbial induced corrosion, microbial adhesion, and antibiotic transport to adhered biofilms preformed in rotating disk systems.

Integrated modeling of high βN steady state scenario on DIII-D

DOE PAGES

Park, Jin Myung; Ferron, J. R.; Holcomb, Christopher T.; ...

2018-01-10

Theory-based integrated modeling validated against DIII-D experiments predicts that fully non-inductive DIII-D operation with β N > 4.5 is possible with certain upgrades. IPS-FASTRAN is a new iterative numerical procedure that integrates models of core transport, edge pedestal, equilibrium, stability, heating, and current drive self-consistently to find steady-state ( d/dt = 0) solutions and reproduces most features of DIII-D high β N discharges with a stationary current profile. Projecting forward to scenarios possible on DIII-D with future upgrades, the high q min > 2 scenario achieves stable operation at β N as high as 5 by using a very broadmore » current density profile to improve the ideal-wall stabilization of low- n instabilities along with confinement enhancement from low magnetic shear. This modeling guides the necessary upgrades of the heating and current drive system to realize reactor-relevant high β N steady-state scenarios on DIII-D by simultaneous optimization of the current and pressure profiles.« less

Helicon thruster plasma modeling: Two-dimensional fluid-dynamics and propulsive performances

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

Ahedo, Eduardo; Navarro-Cavalle, Jaume

2013-04-15

An axisymmetric macroscopic model of the magnetized plasma flow inside the helicon thruster chamber is derived, assuming that the power absorbed from the helicon antenna emission is known. Ionization, confinement, subsonic flows, and production efficiency are discussed in terms of design and operation parameters. Analytical solutions and simple scaling laws for ideal plasma conditions are obtained. The chamber model is then matched with a model of the external magnetic nozzle in order to characterize the whole plasma flow and assess thruster performances. Thermal, electric, and magnetic contributions to thrust are evaluated. The energy balance provides the power conversion between ionsmore » and electrons in chamber and nozzle, and the power distribution among beam power, ionization losses, and wall losses. Thruster efficiency is assessed, and the main causes of inefficiency are identified. The thermodynamic behavior of the collisionless electron population in the nozzle is acknowledged to be poorly known and crucial for a complete plasma expansion and good thrust efficiency.« less

Oxide Dissolution and Oxygen Diffusion in Solid-State Recycled Ti-6Al-4V: Numerical Modeling, Verification by Nanoindentation, and Effects on Grain Growth and Recrystallization

NASA Astrophysics Data System (ADS)

Lui, E. W.; Palanisamy, S.; Dargusch, M. S.; Xia, K.

2017-12-01

The oxide dissolution and oxygen diffusion during annealing of Ti-6Al-4V solid-state recycled from machining chips by equal-channel angular pressing (ECAP) have been investigated using nanoindentation and numerical modeling. The hardness profile from nanoindentation was converted into the oxygen concentration distribution using the Fleisher and Friedel model. An iterative fitting method was then employed to revise the ideal model proposed previously, leading to correct predictions of the oxide dissolution times and oxygen concentration profiles and verifying nanoindentation as an effective method to measure local oxygen concentrations. Recrystallization started at the prior oxide boundaries where local strains were high from the severe plastic deformation incurred in the ECAP recycling process, forming a band of ultrafine grains whose growth was retarded by solute dragging thanks to high oxygen concentrations. The recrystallized fine-grained region would advance with time to eventually replace the lamellar structure formed during ECAP.

Integrated modeling of high βN steady state scenario on DIII-D

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

Park, Jin Myung; Ferron, J. R.; Holcomb, Christopher T.

Theory-based integrated modeling validated against DIII-D experiments predicts that fully non-inductive DIII-D operation with β N > 4.5 is possible with certain upgrades. IPS-FASTRAN is a new iterative numerical procedure that integrates models of core transport, edge pedestal, equilibrium, stability, heating, and current drive self-consistently to find steady-state ( d/dt = 0) solutions and reproduces most features of DIII-D high β N discharges with a stationary current profile. Projecting forward to scenarios possible on DIII-D with future upgrades, the high q min > 2 scenario achieves stable operation at β N as high as 5 by using a very broadmore » current density profile to improve the ideal-wall stabilization of low- n instabilities along with confinement enhancement from low magnetic shear. This modeling guides the necessary upgrades of the heating and current drive system to realize reactor-relevant high β N steady-state scenarios on DIII-D by simultaneous optimization of the current and pressure profiles.« less

Integrated modeling of high βN steady state scenario on DIII-D

NASA Astrophysics Data System (ADS)

Park, J. M.; Ferron, J. R.; Holcomb, C. T.; Buttery, R. J.; Solomon, W. M.; Batchelor, D. B.; Elwasif, W.; Green, D. L.; Kim, K.; Meneghini, O.; Murakami, M.; Snyder, P. B.

2018-01-01

Theory-based integrated modeling validated against DIII-D experiments predicts that fully non-inductive DIII-D operation with βN > 4.5 is possible with certain upgrades. IPS-FASTRAN is a new iterative numerical procedure that integrates models of core transport, edge pedestal, equilibrium, stability, heating, and current drive self-consistently to find steady-state (d/dt = 0) solutions and reproduces most features of DIII-D high βN discharges with a stationary current profile. Projecting forward to scenarios possible on DIII-D with future upgrades, the high qmin > 2 scenario achieves stable operation at βN as high as 5 by using a very broad current density profile to improve the ideal-wall stabilization of low-n instabilities along with confinement enhancement from low magnetic shear. This modeling guides the necessary upgrades of the heating and current drive system to realize reactor-relevant high βN steady-state scenarios on DIII-D by simultaneous optimization of the current and pressure profiles.

Blood Flow in Idealized Vascular Access for Hemodialysis: A Review of Computational Studies.

PubMed

Ene-Iordache, Bogdan; Remuzzi, Andrea

2017-09-01

Although our understanding of the failure mechanism of vascular access for hemodialysis has increased substantially, this knowledge has not translated into successful therapies. Despite advances in technology, it is recognized that vascular access is difficult to maintain, due to complications such as intimal hyperplasia. Computational studies have been used to estimate hemodynamic changes induced by vascular access creation. Due to the heterogeneity of patient-specific geometries, and difficulties with obtaining reliable models of access vessels, idealized models were often employed. In this review we analyze the knowledge gained with the use of computational such simplified models. A review of the literature was conducted, considering studies employing a computational fluid dynamics approach to gain insights into the flow field phenotype that develops in idealized models of vascular access. Several important discoveries have originated from idealized model studies, including the detrimental role of disturbed flow and turbulent flow, and the beneficial role of spiral flow in intimal hyperplasia. The general flow phenotype was consistent among studies, but findings were not treated homogeneously since they paralleled achievements in cardiovascular biomechanics which spanned over the last two decades. Computational studies in idealized models are important for studying local blood flow features and evaluating new concepts that may improve the patency of vascular access for hemodialysis. For future studies we strongly recommend numerical modelling targeted at accurately characterizing turbulent flows and multidirectional wall shear disturbances.

Thermal Analysis for Ion-Exchange Column System

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

Lee, Si Y.; King, William D.

2012-12-20

Models have been developed to simulate the thermal characteristics of crystalline silicotitanate ion exchange media fully loaded with radioactive cesium either in a column configuration or distributed within a waste storage tank. This work was conducted to support the design and operation of a waste treatment process focused on treating dissolved, high-sodium salt waste solutions for the removal of specific radionuclides. The ion exchange column will be installed inside a high level waste storage tank at the Savannah River Site. After cesium loading, the ion exchange media may be transferred to the waste tank floor for interim storage. Models weremore » used to predict temperature profiles in these areas of the system where the cesium-loaded media is expected to lead to localized regions of elevated temperature due to radiolytic decay. Normal operating conditions and accident scenarios (including loss of solution flow, inadvertent drainage, and loss of active cooling) were evaluated for the ion exchange column using bounding conditions to establish the design safety basis. The modeling results demonstrate that the baseline design using one central and four outer cooling tubes provides a highly efficient cooling mechanism for reducing the maximum column temperature. In-tank modeling results revealed that an idealized hemispherical mound shape leads to the highest tank floor temperatures. In contrast, even large volumes of CST distributed in a flat layer with a cylindrical shape do not result in significant floor heating.« less

A Model of the Pulsating Extremely Low-mass White Dwarf Precursor WASP 0247–25B

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

Istrate, A. G.; Fontaine, G.; Heuser, C., E-mail: istrate@uwm.edu

We present an analysis of the evolutionary and pulsation properties of the extremely low-mass white dwarf precursor (B) component of the double-lined eclipsing system WASP 0247−25. Given that the fundamental parameters of that star have been obtained previously at a unique level of precision, WASP 0247−25B represents the ideal case for testing evolutionary models of this newly found category of pulsators. Taking into account the known constraints on the mass, orbital period, effective temperature, surface gravity, and atmospheric composition, we present a model that is compatible with these constraints and show pulsation modes that have periods very close to themore » observed values. Importantly, these modes are predicted to be excited. Although the overall consistency remains perfectible, the observable properties of WASP 0247−25B are closely reproduced. A key ingredient of our binary evolutionary models is represented by rotational mixing as the main competitor against gravitational settling. Depending on assumptions made about the values of the degree index ℓ for the observed pulsation modes, we found three possible seismic solutions. We discuss two tests, rotational splitting and multicolor photometry, that should readily identify the modes and discriminate between these solutions. However, this will require improved temporal resolution and higher S/N observations, which are currently unavailable.« less

Phast4Windows: a 3D graphical user interface for the reactive-transport simulator PHAST.

PubMed

Charlton, Scott R; Parkhurst, David L

2013-01-01

Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties-the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones-and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.

Effect of C(60) fullerene on the duplex formation of i-motif DNA with complementary DNA in solution.

PubMed

Jin, Kyeong Sik; Shin, Su Ryon; Ahn, Byungcheol; Jin, Sangwoo; Rho, Yecheol; Kim, Heesoo; Kim, Seon Jeong; Ree, Moonhor

2010-04-15

The structural effects of fullerene on i-motif DNA were investigated by characterizing the structures of fullerene-free and fullerene-bound i-motif DNA, in the presence of cDNA and in solutions of varying pH, using circular dichroism and synchrotron small-angle X-ray scattering. To facilitate a direct structural comparison between the i-motif and duplex structures in response to pH stimulus, we developed atomic scale structural models for the duplex and i-motif DNA structures, and for the C(60)/i-motif DNA hybrid associated with the cDNA strand, assuming that the DNA strands are present in an ideal right-handed helical conformation. We found that fullerene shifted the pH-induced conformational transition between the i-motif and the duplex structure, possibly due to the hydrophobic interactions between the terminal fullerenes and between the terminal fullerenes and an internal TAA loop in the DNA strand. The hybrid structure showed a dramatic reduction in cyclic hysteresis.

Localized oscillatory states in magnetoconvection.

PubMed

Buckley, Matthew C; Bushby, Paul J

2013-02-01

Localized states are found in many pattern forming systems. The aim of this paper is to investigate the occurrence of oscillatory localized states in two-dimensional Boussinesq magnetoconvection. Initially considering an idealized model, in which the vertical structure of the system has been simplified by a projection onto a small number of Fourier modes, we find that these states are restricted to the low ζ regime (where ζ represents the ratio of the magnetic to thermal diffusivities). These states always exhibit bistability with another nontrivial solution branch; in other words, they show no evidence of subcritical behavior. This is due to the weak flux expulsion that is exhibited by these time-dependent solutions. Using the results of this parameter survey, we locate corresponding states in a fully resolved two-dimensional system, although the mode of oscillation is more complex in this case. This is the first time that a localized oscillatory state, of this kind, has been found in a fully resolved magnetoconvection simulation.

Numerical approximation of the electromechanical coupling in the left ventricle with inclusion of the Purkinje network.

PubMed

Landajuela, Mikel; Vergara, Christian; Gerbi, Antonello; Dedé, Luca; Formaggia, Luca; Quarteroni, Alfio

2018-03-25

In this work, we consider the numerical approximation of the electromechanical coupling in the left ventricle with inclusion of the Purkinje network. The mathematical model couples the 3D elastodynamics and bidomain equations for the electrophysiology in the myocardium with the 1D monodomain equation in the Purkinje network. For the numerical solution of the coupled problem, we consider a fixed-point iterative algorithm that enables a partitioned solution of the myocardium and Purkinje network problems. Different levels of myocardium-Purkinje network splitting are considered and analyzed. The results are compared with those obtained using standard strategies proposed in the literature to trigger the electrical activation. Finally, we present a numerical study that, although performed in an idealized computational domain, features all the physiological issues that characterize a heartbeat simulation, including the initiation of the signal in the Purkinje network and the systolic and diastolic phases. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.