Edgelist phase unwrapping algorithm for time series InSAR analysis.

PubMed

Shanker, A Piyush; Zebker, Howard

2010-03-01

We present here a new integer programming formulation for phase unwrapping of multidimensional data. Phase unwrapping is a key problem in many coherent imaging systems, including time series synthetic aperture radar interferometry (InSAR), with two spatial and one temporal data dimensions. The minimum cost flow (MCF) [IEEE Trans. Geosci. Remote Sens. 36, 813 (1998)] phase unwrapping algorithm describes a global cost minimization problem involving flow between phase residues computed over closed loops. Here we replace closed loops by reliable edges as the basic construct, thus leading to the name "edgelist." Our algorithm has several advantages over current methods-it simplifies the representation of multidimensional phase unwrapping, it incorporates data from external sources, such as GPS, where available to better constrain the unwrapped solution, and it treats regularly sampled or sparsely sampled data alike. It thus is particularly applicable to time series InSAR, where data are often irregularly spaced in time and individual interferograms can be corrupted with large decorrelated regions. We show that, similar to the MCF network problem, the edgelist formulation also exhibits total unimodularity, which enables us to solve the integer program problem by using efficient linear programming tools. We apply our method to a persistent scatterer-InSAR data set from the creeping section of the Central San Andreas Fault and find that the average creep rate of 22 mm/Yr is constant within 3 mm/Yr over 1992-2004 but varies systematically with ground location, with a slightly higher rate in 1992-1998 than in 1999-2003.

Coupled Structural, Thermal, Phase-Change and Electromagnetic Analysis for Superconductors. Volume 1

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermal and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. This volume, Volume 1, describes mostly formulations for specific problems. Volume 2 describes generalization of those formulations.

Phase Relations in Ternary Systems in the Subsolidus Region: Methods to Formulate Solid Solution Equations and to Find Particular Compositions

ERIC Educational Resources Information Center

Alvarez-Montan~o, Victor E.; Farías, Mario H.; Brown, Francisco; Mun~oz-Palma, Iliana C.; Cubillas, Fernando; Castillon-Barraza, Felipe F.

2017-01-01

A good understanding of ternary phase diagrams is required to advance and/or to reproduce experimental research in solid-state and materials chemistry. The aim of this paper is to describe the solutions to problems that appear when studying or determining ternary phase diagrams. A brief description of the principal features shown in phase diagrams…

Solution of internal ballistic problem for SRM with grain of complex shape during main firing phase

NASA Astrophysics Data System (ADS)

Kiryushkin, A. E.; Minkov, L. L.

2017-10-01

Solid rocket motor (SRM) internal ballistics problems are related to the problems with moving boundaries. The algorithm able to solve similar problems in axisymmetric formulation on Cartesian mesh with an arbitrary order of accuracy is considered in this paper. The base of this algorithm is the ghost point extrapolation using inverse Lax-Wendroff procedure. Level set method is used as an implicit representation of the domain boundary. As an example, the internal ballistics problem for SRM with umbrella type grain was solved during the main firing phase. In addition, flow parameters distribution in the combustion chamber was obtained for different time moments.

Group theoretical formulation of free fall and projectile motion

NASA Astrophysics Data System (ADS)

Düztaş, Koray

2018-07-01

In this work we formulate the group theoretical description of free fall and projectile motion. We show that the kinematic equations for constant acceleration form a one parameter group acting on a phase space. We define the group elements ϕ t by their action on the points in the phase space. We also generalize this approach to projectile motion. We evaluate the group orbits regarding their relations to the physical orbits of particles and unphysical solutions. We note that the group theoretical formulation does not apply to more general cases involving a time-dependent acceleration. This method improves our understanding of the constant acceleration problem with its global approach. It is especially beneficial for students who want to pursue a career in theoretical physics.

A General Formulation for Robust and Efficient Integration of Finite Differences and Phase Unwrapping on Sparse Multidimensional Domains

NASA Astrophysics Data System (ADS)

Costantini, Mario; Malvarosa, Fabio; Minati, Federico

2010-03-01

Phase unwrapping and integration of finite differences are key problems in several technical fields. In SAR interferometry and differential and persistent scatterers interferometry digital elevation models and displacement measurements can be obtained after unambiguously determining the phase values and reconstructing the mean velocities and elevations of the observed targets, which can be performed by integrating differential estimates of these quantities (finite differences between neighboring points).In this paper we propose a general formulation for robust and efficient integration of finite differences and phase unwrapping, which includes standard techniques methods as sub-cases. The proposed approach allows obtaining more reliable and accurate solutions by exploiting redundant differential estimates (not only between nearest neighboring points) and multi-dimensional information (e.g. multi-temporal, multi-frequency, multi-baseline observations), or external data (e.g. GPS measurements). The proposed approach requires the solution of linear or quadratic programming problems, for which computationally efficient algorithms exist.The validation tests obtained on real SAR data confirm the validity of the method, which was integrated in our production chain and successfully used also in massive productions.

A computer code for multiphase all-speed transient flows in complex geometries. MAST version 1.0

NASA Technical Reports Server (NTRS)

Chen, C. P.; Jiang, Y.; Kim, Y. M.; Shang, H. M.

1991-01-01

The operation of the MAST code, which computes transient solutions to the multiphase flow equations applicable to all-speed flows, is described. Two-phase flows are formulated based on the Eulerian-Lagrange scheme in which the continuous phase is described by the Navier-Stokes equation (or Reynolds equations for turbulent flows). Dispersed phase is formulated by a Lagrangian tracking scheme. The numerical solution algorithms utilized for fluid flows is a newly developed pressure-implicit algorithm based on the operator-splitting technique in generalized nonorthogonal coordinates. This operator split allows separate operation on each of the variable fields to handle pressure-velocity coupling. The obtained pressure correction equation has the hyperbolic nature and is effective for Mach numbers ranging from the incompressible limit to supersonic flow regimes. The present code adopts a nonstaggered grid arrangement; thus, the velocity components and other dependent variables are collocated at the same grid. A sequence of benchmark-quality problems, including incompressible, subsonic, transonic, supersonic, gas-droplet two-phase flows, as well as spray-combustion problems, were performed to demonstrate the robustness and accuracy of the present code.

u-w formulation for dynamic problems in large deformation regime solved through an implicit meshfree scheme

NASA Astrophysics Data System (ADS)

Navas, Pedro; Sanavia, Lorenzo; López-Querol, Susana; Yu, Rena C.

2017-12-01

Solving dynamic problems for fluid saturated porous media at large deformation regime is an interesting but complex issue. An implicit time integration scheme is herein developed within the framework of the u-w (solid displacement-relative fluid displacement) formulation for the Biot's equations. In particular, liquid water saturated porous media is considered and the linearization of the linear momentum equations taking into account all the inertia terms for both solid and fluid phases is for the first time presented. The spatial discretization is carried out through a meshfree method, in which the shape functions are based on the principle of local maximum entropy LME. The current methodology is firstly validated with the dynamic consolidation of a soil column and the plastic shear band formulation of a square domain loaded by a rigid footing. The feasibility of this new numerical approach for solving large deformation dynamic problems is finally demonstrated through the application to an embankment problem subjected to an earthquake.

The eigenvalue problem in phase space.

PubMed

Cohen, Leon

2018-06-30

We formulate the standard quantum mechanical eigenvalue problem in quantum phase space. The equation obtained involves the c-function that corresponds to the quantum operator. We use the Wigner distribution for the phase space function. We argue that the phase space eigenvalue equation obtained has, in addition to the proper solutions, improper solutions. That is, solutions for which no wave function exists which could generate the distribution. We discuss the conditions for ascertaining whether a position momentum function is a proper phase space distribution. We call these conditions psi-representability conditions, and show that if these conditions are imposed, one extracts the correct phase space eigenfunctions. We also derive the phase space eigenvalue equation for arbitrary phase space distributions functions. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

A thermodynamically consistent model of magneto-elastic materials under diffusion at large strains and its analysis

NASA Astrophysics Data System (ADS)

Roubíček, Tomáš; Tomassetti, Giuseppe

2018-06-01

A theory of elastic magnets is formulated under possible diffusion and heat flow governed by Fick's and Fourier's laws in the deformed (Eulerian) configuration, respectively. The concepts of nonlocal nonsimple materials and viscous Cahn-Hilliard equations are used. The formulation of the problem uses Lagrangian (reference) configuration while the transport processes are pulled back. Except the static problem, the demagnetizing energy is ignored and only local non-self-penetration is considered. The analysis as far as existence of weak solutions of the (thermo) dynamical problem is performed by a careful regularization and approximation by a Galerkin method, suggesting also a numerical strategy. Either ignoring or combining particular aspects, the model has numerous applications as ferro-to-paramagnetic transformation in elastic ferromagnets, diffusion of solvents in polymers possibly accompanied by magnetic effects (magnetic gels), or metal-hydride phase transformation in some intermetallics under diffusion of hydrogen accompanied possibly by magnetic effects (and in particular ferro-to-antiferromagnetic phase transformation), all in the full thermodynamical context under large strains.

Mixed Integer Programming and Heuristic Scheduling for Space Communication Networks

NASA Technical Reports Server (NTRS)

Lee, Charles H.; Cheung, Kar-Ming

2012-01-01

In this paper, we propose to solve the constrained optimization problem in two phases. The first phase uses heuristic methods such as the ant colony method, particle swarming optimization, and genetic algorithm to seek a near optimal solution among a list of feasible initial populations. The final optimal solution can be found by using the solution of the first phase as the initial condition to the SQP algorithm. We demonstrate the above problem formulation and optimization schemes with a large-scale network that includes the DSN ground stations and a number of spacecraft of deep space missions.

Level set immersed boundary method for gas-liquid-solid interactions with phase-change

NASA Astrophysics Data System (ADS)

Dhruv, Akash; Balaras, Elias; Riaz, Amir; Kim, Jungho

2017-11-01

We will discuss an approach to simulate the interaction between two-phase flows with phase changes and stationary/moving structures. In our formulation, the Navier-Stokes and heat advection-diffusion equations are solved on a block-structured grid using adaptive mesh refinement (AMR) along with sharp jump in pressure, velocity and temperature across the interface separating the different phases. The jumps are implemented using a modified Ghost Fluid Method (Lee et al., J. Comput. Physics, 344:381-418, 2017), and the interface is tracked with a level set approach. Phase transition is achieved by calculating mass flux near the interface and extrapolating it to the rest of the domain using a Hamilton-Jacobi equation. Stationary/moving structures are simulated with an immersed boundary formulation based on moving least squares (Vanella & Balaras, J. Comput. Physics, 228:6617-6628, 2009). A variety of canonical problems involving vaporization, film boiling and nucleate boiling is presented to validate the method and demonstrate the its formal accuracy. The robustness of the solver in complex problems, which are crucial in efficient design of heat transfer mechanisms for various applications, will also be demonstrated. Work supported by NASA, Grant NNX16AQ77G.

Modeling human target acquisition in ground-to-air weapon systems

NASA Technical Reports Server (NTRS)

Phatak, A. V.; Mohr, R. L.; Vikmanis, M.; Wei, K. C.

1982-01-01

The problems associated with formulating and validating mathematical models for describing and predicting human target acquisition response are considered. In particular, the extension of the human observer model to include the acquisition phase as well as the tracking segment is presented. Relationship of the Observer model structure to the more complex Standard Optimal Control model formulation and to the simpler Transfer Function/Noise representation is discussed. Problems pertinent to structural identifiability and the form of the parameterization are elucidated. A systematic approach toward the identification of the observer acquisition model parameters from ensemble tracking error data is presented.

A combined Eulerian-volume of fraction-Lagrangian method for atomization simulation

NASA Technical Reports Server (NTRS)

Seung, S. P.; Chen, C. P.; Ziebarth, John P.

1994-01-01

The tracking of free surfaces between liquid and gas phases and analysis of the interfacial phenomena between the two during the atomization and breakup process of a liquid fuel jet is modeled. Numerical modeling of liquid-jet atomization requires the resolution of different conservation equations. Detailed formulation and validation are presented for the confined dam broken problem, the water surface problem, the single droplet problem, a jet breakup problem, and the liquid column instability problem.

Theory of electron-impact ionization of atoms

NASA Astrophysics Data System (ADS)

Kadyrov, A. S.; Mukhamedzhanov, A. M.; Stelbovics, A. T.; Bray, I.

2004-12-01

The existing formulations of electron-impact ionization of a hydrogenic target suffer from a number of formal problems including an ambiguous and phase-divergent definition of the ionization amplitude. An alternative formulation of the theory is given. An integral representation for the ionization amplitude which is free of ambiguity and divergence problems is derived and is shown to have four alternative, but equivalent, forms well suited for practical calculations. The extension to amplitudes of all possible scattering processes taking place in an arbitrary three-body system follows. A well-defined conventional post form of the breakup amplitude valid for arbitrary potentials including the long-range Coulomb interaction is given. Practical approaches are based on partial-wave expansions, so the formulation is also recast in terms of partial waves and partial-wave expansions of the asymptotic wave functions are presented. In particular, expansions of the asymptotic forms of the total scattering wave function, developed from both the initial and the final state, for electron-impact ionization of hydrogen are given. Finally, the utility of the present formulation is demonstrated on some well-known model problems.

BIGHORN Computational Fluid Dynamics Theory, Methodology, and Code Verification & Validation Benchmark Problems

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

Xia, Yidong; Andrs, David; Martineau, Richard Charles

This document presents the theoretical background for a hybrid finite-element / finite-volume fluid flow solver, namely BIGHORN, based on the Multiphysics Object Oriented Simulation Environment (MOOSE) computational framework developed at the Idaho National Laboratory (INL). An overview of the numerical methods used in BIGHORN are discussed and followed by a presentation of the formulation details. The document begins with the governing equations for the compressible fluid flow, with an outline of the requisite constitutive relations. A second-order finite volume method used for solving the compressible fluid flow problems is presented next. A Pressure-Corrected Implicit Continuous-fluid Eulerian (PCICE) formulation for timemore » integration is also presented. The multi-fluid formulation is being developed. Although multi-fluid is not fully-developed, BIGHORN has been designed to handle multi-fluid problems. Due to the flexibility in the underlying MOOSE framework, BIGHORN is quite extensible, and can accommodate both multi-species and multi-phase formulations. This document also presents a suite of verification & validation benchmark test problems for BIGHORN. The intent for this suite of problems is to provide baseline comparison data that demonstrates the performance of the BIGHORN solution methods on problems that vary in complexity from laminar to turbulent flows. Wherever possible, some form of solution verification has been attempted to identify sensitivities in the solution methods, and suggest best practices when using BIGHORN.« less

Performance of mixed formulations for the particle finite element method in soil mechanics problems

NASA Astrophysics Data System (ADS)

Monforte, Lluís; Carbonell, Josep Maria; Arroyo, Marcos; Gens, Antonio

2017-07-01

This paper presents a computational framework for the numerical analysis of fluid-saturated porous media at large strains. The proposal relies, on one hand, on the particle finite element method (PFEM), known for its capability to tackle large deformations and rapid changing boundaries, and, on the other hand, on constitutive descriptions well established in current geotechnical analyses (Darcy's law; Modified Cam Clay; Houlsby hyperelasticity). An important feature of this kind of problem is that incompressibility may arise either from undrained conditions or as a consequence of material behaviour; incompressibility may lead to volumetric locking of the low-order elements that are typically used in PFEM. In this work, two different three-field mixed formulations for the coupled hydromechanical problem are presented, in which either the effective pressure or the Jacobian are considered as nodal variables, in addition to the solid skeleton displacement and water pressure. Additionally, several mixed formulations are described for the simplified single-phase problem due to its formal similitude to the poromechanical case and its relevance in geotechnics, since it may approximate the saturated soil behaviour under undrained conditions. In order to use equal-order interpolants in displacements and scalar fields, stabilization techniques are used in the mass conservation equation of the biphasic medium and in the rest of scalar equations. Finally, all mixed formulations are assessed in some benchmark problems and their performances are compared. It is found that mixed formulations that have the Jacobian as a nodal variable perform better.

Generalized pseudopotential approach for electron-atom scattering.

NASA Technical Reports Server (NTRS)

Zarlingo, D. G.; Ishihara, T.; Poe, R. T.

1972-01-01

A generalized many-electron pseudopotential approach is presented for electron-neutral-atom scattering problems. A calculation based on this formulation is carried out for the singlet s-wave and p-wave electron-hydrogen phase shifts with excellent results. We compare the method with other approaches as well as discuss its applications for inelastic and rearrangement collision problems.

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management

PubMed Central

Li, Yan; Thomas, Manoj; Osei-Bryson, Kweku-Muata; Levy, Jason

2016-01-01

With the growing popularity of data analytics and data science in the field of environmental risk management, a formalized Knowledge Discovery via Data Analytics (KDDA) process that incorporates all applicable analytical techniques for a specific environmental risk management problem is essential. In this emerging field, there is limited research dealing with the use of decision support to elicit environmental risk management (ERM) objectives and identify analytical goals from ERM decision makers. In this paper, we address problem formulation in the ERM understanding phase of the KDDA process. We build a DM3 ontology to capture ERM objectives and to inference analytical goals and associated analytical techniques. A framework to assist decision making in the problem formulation process is developed. It is shown how the ontology-based knowledge system can provide structured guidance to retrieve relevant knowledge during problem formulation. The importance of not only operationalizing the KDDA approach in a real-world environment but also evaluating the effectiveness of the proposed procedure is emphasized. We demonstrate how ontology inferencing may be used to discover analytical goals and techniques by conceptualizing Hazardous Air Pollutants (HAPs) exposure shifts based on a multilevel analysis of the level of urbanization (and related economic activity) and the degree of Socio-Economic Deprivation (SED) at the local neighborhood level. The HAPs case highlights not only the role of complexity in problem formulation but also the need for integrating data from multiple sources and the importance of employing appropriate KDDA modeling techniques. Challenges and opportunities for KDDA are summarized with an emphasis on environmental risk management and HAPs. PMID:27983713

Problem Formulation in Knowledge Discovery via Data Analytics (KDDA) for Environmental Risk Management.

PubMed

Li, Yan; Thomas, Manoj; Osei-Bryson, Kweku-Muata; Levy, Jason

2016-12-15

With the growing popularity of data analytics and data science in the field of environmental risk management, a formalized Knowledge Discovery via Data Analytics (KDDA) process that incorporates all applicable analytical techniques for a specific environmental risk management problem is essential. In this emerging field, there is limited research dealing with the use of decision support to elicit environmental risk management (ERM) objectives and identify analytical goals from ERM decision makers. In this paper, we address problem formulation in the ERM understanding phase of the KDDA process. We build a DM³ ontology to capture ERM objectives and to inference analytical goals and associated analytical techniques. A framework to assist decision making in the problem formulation process is developed. It is shown how the ontology-based knowledge system can provide structured guidance to retrieve relevant knowledge during problem formulation. The importance of not only operationalizing the KDDA approach in a real-world environment but also evaluating the effectiveness of the proposed procedure is emphasized. We demonstrate how ontology inferencing may be used to discover analytical goals and techniques by conceptualizing Hazardous Air Pollutants (HAPs) exposure shifts based on a multilevel analysis of the level of urbanization (and related economic activity) and the degree of Socio-Economic Deprivation (SED) at the local neighborhood level. The HAPs case highlights not only the role of complexity in problem formulation but also the need for integrating data from multiple sources and the importance of employing appropriate KDDA modeling techniques. Challenges and opportunities for KDDA are summarized with an emphasis on environmental risk management and HAPs.

Transient analysis of a thermal storage unit involving a phase change material

NASA Technical Reports Server (NTRS)

Griggs, E. I.; Pitts, D. R.; Humphries, W. R.

1974-01-01

The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

Thermodynamically Constrained Averaging Theory (TCAT) Two-Phase Flow Model: Derivation, Closure, and Simulation Results

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Miller, C. T.; Dye, A. L.; Gray, W. G.; McClure, J. E.; Rybak, I.

2015-12-01

The thermodynamically constrained averaging theory (TCAT) has been usedto formulate general classes of porous medium models, including newmodels for two-fluid-phase flow. The TCAT approach provides advantagesthat include a firm connection between the microscale, or pore scale,and the macroscale; a thermodynamically consistent basis; explicitinclusion of factors such as interfacial areas, contact angles,interfacial tension, and curvatures; and dynamics of interface movementand relaxation to an equilibrium state. In order to render the TCATmodel solvable, certain closure relations are needed to relate fluidpressure, interfacial areas, curvatures, and relaxation rates. In thiswork, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instancefrom a hierarchy of two-fluid-phase flow models that emerge from thetheory. We show the closure problem that must be solved. Using recentresults from high-resolution microscale simulations, we advance a set ofclosure relations that produce a closed model. Lastly, we solve the model using a locally conservative numerical scheme and compare the TCAT model to the traditional model.

Phases of ERA - Planning and Problem Formulation

EPA Pesticide Factsheets

Eco-Box is a toolbox for exposure assessors. Its purpose is to provide a compendium of exposure assessment and risk characterization tools that will present comprehensive step-by-step guidance and links to relevant exposure assessment data bases

Towards conformal loop quantum gravity

NASA Astrophysics Data System (ADS)

H-T Wang, Charles

2006-03-01

A discussion is given of recent developments in canonical gravity that assimilates the conformal analysis of gravitational degrees of freedom. The work is motivated by the problem of time in quantum gravity and is carried out at the metric and the triad levels. At the metric level, it is shown that by extending the Arnowitt-Deser-Misner (ADM) phase space of general relativity (GR), a conformal form of geometrodynamics can be constructed. In addition to the Hamiltonian and Diffeomorphism constraints, an extra first class constraint is introduced to generate conformal transformations. This phase space consists of York's mean extrinsic curvature time, conformal three-metric and their momenta. At the triad level, the phase space of GR is further enlarged by incorporating spin-gauge as well as conformal symmetries. This leads to a canonical formulation of GR using a new set of real spin connection variables. The resulting gravitational constraints are first class, consisting of the Hamiltonian constraint and the canonical generators for spin-gauge and conformorphism transformations. The formulation has a remarkable feature of being parameter-free. Indeed, it is shown that a conformal parameter of the Barbero-Immirzi type can be absorbed by the conformal symmetry of the extended phase space. This gives rise to an alternative approach to loop quantum gravity that addresses both the conceptual problem of time and the technical problem of functional calculus in quantum gravity.

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

Stubos, A.K.; Caseiras, C.P.; Buchlin, J.M.

The transient two-phase flow and phase change heat transfer processes in porous media are investigated. Based on an enthalpic approach, a one-domain formulation of the problem is developed, avoiding explicit internal boundary tracking between single- and two-phase regions. An efficient numerical scheme is applied to obtain the solution on a fixed two-dimensional grid. The transient response of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of the computed response to fast power transients is attempted. Comparisons with experimental data are made regarding themore » average void fraction and the limiting dryout heat flux. The numerical approach is extended, keeping the one-domain formulation, to include the surrounding wall structure in the calculation.« less

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.

PubMed

Liu, Jian; Miller, William H

2011-03-14

We show the exact expression of the quantum mechanical time correlation function in the phase space formulation of quantum mechanics. The trajectory-based dynamics that conserves the quantum canonical distribution-equilibrium Liouville dynamics (ELD) proposed in Paper I is then used to approximately evaluate the exact expression. It gives exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits. Various methods have been presented for the implementation of ELD. Numerical tests of the ELD approach in the Wigner or Husimi phase space have been made for a harmonic oscillator and two strongly anharmonic model problems, for each potential autocorrelation functions of both linear and nonlinear operators have been calculated. It suggests ELD can be a potentially useful approach for describing quantum effects for complex systems in condense phase.

Numerical formulation for the prediction of solid/liquid change of a binary alloy

NASA Technical Reports Server (NTRS)

Schneider, G. E.; Tiwari, S. N.

1990-01-01

A computational model is presented for the prediction of solid/liquid phase change energy transport including the influence of free convection fluid flow in the liquid phase region. The computational model considers the velocity components of all non-liquid phase change material control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid region. The thermal energy model includes the entire domain and uses an enthalpy like model and a recently developed method for handling the phase change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problem specifications. The convergence studies indicate that grid independence was achieved and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data is also provided in the form of velocity vector diagrams and isotherm plots for selected times in the evolution of both problems. The computational costs incurred are quite low by comparison with previous efforts on solving these problems.

A numerical analysis of phase-change problems including natural convection

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

Cao, Y.; Faghri, A.

1990-08-01

Fixed grid solutions for phase-change problems remove the need to satisfy conditions at the phase-change front and can be easily extended to multidimensional problems. The two most important and widely used methods are enthalpy methods and temperature-based equivalent heat capacity methods. Both methods in this group have advantages and disadvantages. Enthalpy methods (Shamsundar and Sparrow, 1975; Voller and Prakash, 1987; Cao et al., 1989) are flexible and can handle phase-change problems occurring both at a single temperature and over a temperature range. The drawback of this method is that although the predicted temperature distributions and melting fronts are reasonable, themore » predicted time history of the temperature at a typical grid point may have some oscillations. The temperature-based fixed grid methods (Morgan, 1981; Hsiao and Chung, 1984) have no such time history problems and are more convenient with conjugate problems involving an adjacent wall, but have to deal with the severe nonlinearity of the governing equations when the phase-change temperature range is small. In this paper, a new temperature-based fixed-grid formulation is proposed, and the reason that the original equivalent heat capacity model is subject to such restrictions on the time step, mesh size, and the phase-change temperature range will also be discussed.« less

Lattice Boltzmann Methods to Address Fundamental Boiling and Two-Phase Problems

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

Uddin, Rizwan

2012-01-01

This report presents the progress made during the fourth (no cost extension) year of this three-year grant aimed at the development of a consistent Lattice Boltzmann formulation for boiling and two-phase flows. During the first year, a consistent LBM formulation for the simulation of a two-phase water-steam system was developed. Results of initial model validation in a range of thermo-dynamic conditions typical for Boiling Water Reactors (BWRs) were shown. Progress was made on several fronts during the second year. Most important of these included the simulation of the coalescence of two bubbles including the surface tension effects. Work during themore » third year focused on the development of a new lattice Boltzmann model, called the artificial interface lattice Boltzmann model (AILB model) for the 3 simulation of two-phase dynamics. The model is based on the principle of free energy minimization and invokes the Gibbs-Duhem equation in the formulation of non-ideal forcing function. This was reported in detail in the last progress report. Part of the efforts during the last (no-cost extension) year were focused on developing a parallel capability for the 2D as well as for the 3D codes developed in this project. This will be reported in the final report. Here we report the work carried out on testing the AILB model for conditions including the thermal effects. A simplified thermal LB model, based on the thermal energy distribution approach, was developed. The simplifications are made after neglecting the viscous heat dissipation and the work done by pressure in the original thermal energy distribution model. Details of the model are presented here, followed by a discussion of the boundary conditions, and then results for some two-phase thermal problems.« less

Simulation of Two-Phase Flow Based on a Thermodynamically Constrained Averaging Theory Flow Model

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Dye, A. L.; McClure, J. E.; Farthing, M. W.; Gray, W. G.; Miller, C. T.

2014-12-01

The thermodynamically constrained averaging theory (TCAT) has been used to formulate general classes of porous medium models, including new models for two-fluid-phase flow. The TCAT approach provides advantages that include a firm connection between the microscale, or pore scale, and the macroscale; a thermodynamically consistent basis; explicit inclusion of factors such as interfacial areas, contact angles, interfacial tension, and curvatures; and dynamics of interface movement and relaxation to an equilibrium state. In order to render the TCAT model solvable, certain closure relations are needed to relate fluid pressure, interfacial areas, curvatures, and relaxation rates. In this work, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instance from a hierarchy of two-fluid-phase flow models that emerge from the theory. We show the closure problem that must be solved. Using recent results from high-resolution microscale simulations, we advance a set of closure relations that produce a closed model. Lastly, we use locally conservative spatial discretization and higher order temporal discretization methods to approximate the solution to this new model and compare the solution to the traditional model.

Numerical Simulation of Two Phase Flows

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

2001-01-01

Two phase flows can be found in broad situations in nature, biology, and industry devices and can involve diverse and complex mechanisms. While the physical models may be specific for certain situations, the mathematical formulation and numerical treatment for solving the governing equations can be general. Hence, we will require information concerning each individual phase as needed in a single phase. but also the interactions between them. These interaction terms, however, pose additional numerical challenges because they are beyond the basis that we use to construct modern numerical schemes, namely the hyperbolicity of equations. Moreover, due to disparate differences in time scales, fluid compressibility and nonlinearity become acute, further complicating the numerical procedures. In this paper, we will show the ideas and procedure how the AUSM-family schemes are extended for solving two phase flows problems. Specifically, both phases are assumed in thermodynamic equilibrium, namely, the time scales involved in phase interactions are extremely short in comparison with those in fluid speeds and pressure fluctuations. Details of the numerical formulation and issues involved are discussed and the effectiveness of the method are demonstrated for several industrial examples.

Phase unwrapping with graph cuts optimization and dual decomposition acceleration for 3D high-resolution MRI data.

PubMed

Dong, Jianwu; Chen, Feng; Zhou, Dong; Liu, Tian; Yu, Zhaofei; Wang, Yi

2017-03-01

Existence of low SNR regions and rapid-phase variations pose challenges to spatial phase unwrapping algorithms. Global optimization-based phase unwrapping methods are widely used, but are significantly slower than greedy methods. In this paper, dual decomposition acceleration is introduced to speed up a three-dimensional graph cut-based phase unwrapping algorithm. The phase unwrapping problem is formulated as a global discrete energy minimization problem, whereas the technique of dual decomposition is used to increase the computational efficiency by splitting the full problem into overlapping subproblems and enforcing the congruence of overlapping variables. Using three dimensional (3D) multiecho gradient echo images from an agarose phantom and five brain hemorrhage patients, we compared this proposed method with an unaccelerated graph cut-based method. Experimental results show up to 18-fold acceleration in computation time. Dual decomposition significantly improves the computational efficiency of 3D graph cut-based phase unwrapping algorithms. Magn Reson Med 77:1353-1358, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions.

PubMed

Brown, James; Carrington, Tucker

2015-07-28

Although phase-space localized Gaussians are themselves poor basis functions, they can be used to effectively contract a discrete variable representation basis [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. This works despite the fact that elements of the Hamiltonian and overlap matrices labelled by discarded Gaussians are not small. By formulating the matrix problem as a regular (i.e., not a generalized) matrix eigenvalue problem, we show that it is possible to use an iterative eigensolver to compute vibrational energy levels in the Gaussian basis.

Phase retrieval from local measurements in two dimensions

NASA Astrophysics Data System (ADS)

Iwen, Mark; Preskitt, Brian; Saab, Rayan; Viswanathan, Aditya

2017-08-01

The phase retrieval problem has appeared in a multitude of applications for decades. While ad hoc solutions have existed since the early 1970s, recent developments have provided algorithms that offer promising theoretical guarantees under increasingly realistic assumptions. Motivated by ptychographic imaging, we generalize a recent result on phase retrieval of a one dimensional objective vector x ∈ ℂd to recover a two dimensional sample Q ∈ ℂd x d from phaseless measurements, using a tensor product formulation to extend the previous work.

Automating FEA programming

NASA Technical Reports Server (NTRS)

Sharma, Naveen

1992-01-01

In this paper we briefly describe a combined symbolic and numeric approach for solving mathematical models on parallel computers. An experimental software system, PIER, is being developed in Common Lisp to synthesize computationally intensive and domain formulation dependent phases of finite element analysis (FEA) solution methods. Quantities for domain formulation like shape functions, element stiffness matrices, etc., are automatically derived using symbolic mathematical computations. The problem specific information and derived formulae are then used to generate (parallel) numerical code for FEA solution steps. A constructive approach to specify a numerical program design is taken. The code generator compiles application oriented input specifications into (parallel) FORTRAN77 routines with the help of built-in knowledge of the particular problem, numerical solution methods and the target computer.

A Typology of Errors and Myths Perpetuated in Educational Research Textbooks

ERIC Educational Resources Information Center

Onwuegbuzie, Anthony J.; Leech, Nancy L.

2005-01-01

This paper identifies major errors and myths perpetuated by educational research textbooks. The most pervasive errors and myths advanced by methodology textbooks at the following eight phases of the educational research process are described: (a) formulating a research problem/objective; (b) reviewing the literature; (c) developing the research…

Optimal design of neural stimulation current waveforms.

PubMed

Halpern, Mark

2009-01-01

This paper contains results on the design of electrical signals for delivering charge through electrodes to achieve neural stimulation. A generalization of the usual constant current stimulation phase to a stepped current waveform is presented. The electrode current design is then formulated as the calculation of the current step sizes to minimize the peak electrode voltage while delivering a specified charge in a given number of time steps. This design problem can be formulated as a finite linear program, or alternatively by using techniques for discrete-time linear system design.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions

NASA Astrophysics Data System (ADS)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-04-01

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. We also show that the strategy is efficient and scales optimally with problem size.

Complementary Constrains on Component based Multiphase Flow Problems, Should It Be Implemented Locally or Globally?

NASA Astrophysics Data System (ADS)

Shao, H.; Huang, Y.; Kolditz, O.

2015-12-01

Multiphase flow problems are numerically difficult to solve, as it often contains nonlinear Phase transition phenomena A conventional technique is to introduce the complementarity constraints where fluid properties such as liquid saturations are confined within a physically reasonable range. Based on such constraints, the mathematical model can be reformulated into a system of nonlinear partial differential equations coupled with variational inequalities. They can be then numerically handled by optimization algorithms. In this work, two different approaches utilizing the complementarity constraints based on persistent primary variables formulation[4] are implemented and investigated. The first approach proposed by Marchand et.al[1] is using "local complementary constraints", i.e. coupling the constraints with the local constitutive equations. The second approach[2],[3] , namely the "global complementary constrains", applies the constraints globally with the mass conservation equation. We will discuss how these two approaches are applied to solve non-isothermal componential multiphase flow problem with the phase change phenomenon. Several benchmarks will be presented for investigating the overall numerical performance of different approaches. The advantages and disadvantages of different models will also be concluded. References[1] E.Marchand, T.Mueller and P.Knabner. Fully coupled generalized hybrid-mixed finite element approximation of two-phase two-component flow in porous media. Part I: formulation and properties of the mathematical model, Computational Geosciences 17(2): 431-442, (2013). [2] A. Lauser, C. Hager, R. Helmig, B. Wohlmuth. A new approach for phase transitions in miscible multi-phase flow in porous media. Water Resour., 34,(2011), 957-966. [3] J. Jaffré, and A. Sboui. Henry's Law and Gas Phase Disappearance. Transp. Porous Media. 82, (2010), 521-526. [4] A. Bourgeat, M. Jurak and F. Smaï. Two-phase partially miscible flow and transport modeling in porous media : application to gas migration in a nuclear waste repository, Comp.Geosciences. (2009), Volume 13, Number 1, 29-42.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

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

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

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

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE PAGES

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-02-06

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Rigorous derivation of porous-media phase-field equations

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Kalliadasis, Serafim

2017-11-01

The evolution of interfaces in Complex heterogeneous Multiphase Systems (CheMSs) plays a fundamental role in a wide range of scientific fields such as thermodynamic modelling of phase transitions, materials science, or as a computational tool for interfacial flow studies or material design. Here, we focus on phase-field equations in CheMSs such as porous media. To the best of our knowledge, we present the first rigorous derivation of error estimates for fourth order, upscaled, and nonlinear evolution equations. For CheMs with heterogeneity ɛ, we obtain the convergence rate ɛ 1 / 4 , which governs the error between the solution of the new upscaled formulation and the solution of the microscopic phase-field problem. This error behaviour has recently been validated computationally in. Due to the wide range of application of phase-field equations, we expect this upscaled formulation to allow for new modelling, analytic, and computational perspectives for interfacial transport and phase transformations in CheMSs. This work was supported by EPSRC, UK, through Grant Nos. EP/H034587/1, EP/L027186/1, EP/L025159/1, EP/L020564/1, EP/K008595/1, and EP/P011713/1 and from ERC via Advanced Grant No. 247031.

On a partial differential equation method for determining the free energies and coexisting phase compositions of ternary mixtures from light scattering data.

PubMed

Ross, David S; Thurston, George M; Lutzer, Carl V

2008-08-14

In this paper we present a method for determining the free energies of ternary mixtures from light scattering data. We use an approximation that is appropriate for liquid mixtures, which we formulate as a second-order nonlinear partial differential equation. This partial differential equation (PDE) relates the Hessian of the intensive free energy to the efficiency of light scattering in the forward direction. This basic equation applies in regions of the phase diagram in which the mixtures are thermodynamically stable. In regions in which the mixtures are unstable or metastable, the appropriate PDE is the nonlinear equation for the convex hull. We formulate this equation along with continuity conditions for the transition between the two equations at cloud point loci. We show how to discretize this problem to obtain a finite-difference approximation to it, and we present an iterative method for solving the discretized problem. We present the results of calculations that were done with a computer program that implements our method. These calculations show that our method is capable of reconstructing test free energy functions from simulated light scattering data. If the cloud point loci are known, the method also finds the tie lines and tie triangles that describe thermodynamic equilibrium between two or among three liquid phases. A robust method for solving this PDE problem, such as the one presented here, can be a basis for optical, noninvasive means of characterizing the thermodynamics of multicomponent mixtures.

Velocity sensitivity of seismic body waves to the anisotropic parameters of a TTI-medium

NASA Astrophysics Data System (ADS)

Zhou, Bing; Greenhalgh, Stewart

2008-09-01

We formulate the derivatives of the phase and group velocities for each of the anisotropic parameters in a tilted transversely isotropic medium (TTI-medium). This is a common geological model in seismic exploration and has five elastic moduli or related Thomsen parameters and two orientation angles defining the axis of symmetry of the rock. We present two independent methods to compute the derivatives and examine the formulae with real anisotropic rocks. The formulations and numerical computations do not encounter any singularity problem when applied to the two quasi shear waves, which is a problem with other approaches. The two methods yield the same results, which show in a quantitative way the sensitivity behaviour of the phase and the group velocities to all of the elastic moduli or Thomsen's anisotropic parameters as well as the orientation angles in the 2D and 3D cases. One can recognize the dominant (strong effect) and weak (or 'dummy') parameters for the three seismic body-wave modes (qP, qSV, qSH) and their effective domains over the whole range of phase-slowness directions. These sensitivity patterns indicate the possibility of nonlinear kinematic inversion with the three wave modes for determining the anisotropic parameters and imaging an anisotropic medium.

A mixed-penalty biphasic finite element formulation incorporating viscous fluids and material interfaces.

PubMed

Chan, B; Donzelli, P S; Spilker, R L

2000-06-01

The fluid viscosity term of the fluid phase constitutive equation and the interface boundary conditions between biphasic, solid and fluid domains have been incorporated into a mixed-penalty finite element formulation of the linear biphasic theory for hydrated soft tissue. The finite element code can now model a single-phase viscous incompressible fluid, or a single-phase elastic solid, as limiting cases of a biphasic material. Interface boundary conditions allow the solution of problems involving combinations of biphasic, fluid and solid regions. To incorporate these conditions, the volume-weighted mixture velocity is introduced as a degree of freedom at interface nodes so that the kinematic continuity conditions are satisfied by conventional finite element assembly techniques. Results comparing our numerical method with an independent, analytic solution for the problem of Couette flow over rigid and deformable porous biphasic layers show that the finite element code accurately predicts the viscous fluid flows and deformation in the porous biphasic region. Thus, the analysis can be used to model the interface between synovial fluid and articular cartilage in diarthrodial joints. This is an important step toward modeling and understanding the mechanisms of joint lubrication and another step toward fully modeling the in vivo behavior of a diarthrodial joint.

Multi-Objective Trajectory Optimization of a Hypersonic Reconnaissance Vehicle with Temperature Constraints

NASA Astrophysics Data System (ADS)

Masternak, Tadeusz J.

This research determines temperature-constrained optimal trajectories for a scramjet-based hypersonic reconnaissance vehicle by developing an optimal control formulation and solving it using a variable order Gauss-Radau quadrature collocation method with a Non-Linear Programming (NLP) solver. The vehicle is assumed to be an air-breathing reconnaissance aircraft that has specified takeoff/landing locations, airborne refueling constraints, specified no-fly zones, and specified targets for sensor data collections. A three degree of freedom scramjet aircraft model is adapted from previous work and includes flight dynamics, aerodynamics, and thermal constraints. Vehicle control is accomplished by controlling angle of attack, roll angle, and propellant mass flow rate. This model is incorporated into an optimal control formulation that includes constraints on both the vehicle and mission parameters, such as avoidance of no-fly zones and coverage of high-value targets. To solve the optimal control formulation, a MATLAB-based package called General Pseudospectral Optimal Control Software (GPOPS-II) is used, which transcribes continuous time optimal control problems into an NLP problem. In addition, since a mission profile can have varying vehicle dynamics and en-route imposed constraints, the optimal control problem formulation can be broken up into several "phases" with differing dynamics and/or varying initial/final constraints. Optimal trajectories are developed using several different performance costs in the optimal control formulation: minimum time, minimum time with control penalties, and maximum range. The resulting analysis demonstrates that optimal trajectories that meet specified mission parameters and constraints can be quickly determined and used for larger-scale operational and campaign planning and execution.

Novel multireceiver communication systems configurations based on optimal estimation theory

NASA Technical Reports Server (NTRS)

Kumar, Rajendra

1992-01-01

A novel multireceiver configuration for carrier arraying and/or signal arraying is presented. The proposed configuration is obtained by formulating the carrier and/or signal arraying problem as an optimal estimation problem, and it consists of two stages. The first stage optimally estimates various phase processes received at different receivers with coupled phase-locked loops wherein the individual loops acquire and track their respective receivers' phase processes but are aided by each other in an optimal manner via LF error signals. The proposed configuration results in the minimization of the the effective radio loss at the combiner output, and thus maximization of energy per bit to noise power spectral density ratio is achieved. A novel adaptive algorithm for the estimator of the signal model parameters when these are not known a priori is also presented.

An adaptive critic-based scheme for consensus control of nonlinear multi-agent systems

NASA Astrophysics Data System (ADS)

Heydari, Ali; Balakrishnan, S. N.

2014-12-01

The problem of decentralised consensus control of a network of heterogeneous nonlinear systems is formulated as an optimal tracking problem and a solution is proposed using an approximate dynamic programming based neurocontroller. The neurocontroller training comprises an initial offline training phase and an online re-optimisation phase to account for the fact that the reference signal subject to tracking is not fully known and available ahead of time, i.e., during the offline training phase. As long as the dynamics of the agents are controllable, and the communication graph has a directed spanning tree, this scheme guarantees the synchronisation/consensus even under switching communication topology and directed communication graph. Finally, an aerospace application is selected for the evaluation of the performance of the method. Simulation results demonstrate the potential of the scheme.

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

Jo, J.C.; Shin, W.K.; Choi, C.Y.

Transient heat transfer problems with phase changes (Stefan problems) occur in many engineering situations, including potential core melting and solidification during pressurized-water-reactor severe accidents, ablation of thermal shields, melting and solidification of alloys, and many others. This article addresses the numerical analysis of nonlinear transient heat transfer with melting or solidification. An effective and simple procedure is presented for the simulation of the motion of the boundary and the transient temperature field during the phase change process. To accomplish this purpose, an iterative implicit solution algorithm has been developed by employing the dual-reciprocity boundary-element method. The dual-reciprocity boundary-element approach providedmore » in this article is much simpler than the usual boundary-element method in applying a reciprocity principle and an available technique for dealing with the domain integral of the boundary element formulation simultaneously. In this article, attention is focused on two-dimensional melting (ablation)/solidification problems for simplicity. The accuracy and effectiveness of the present analysis method have been illustrated through comparisons of the calculation results of some examples of one-phase ablation/solidification problems with their known semianalytical or numerical solutions where available.« less

The Difficulties of a Curriculum Helper in an Urban School.

ERIC Educational Resources Information Center

Smith, Michael S.

This paper describes the experiences of a teacher and a curriculum helper in designing and implementing a fifth grade language arts curriculum at an inner city, magnet school in Indianapolis (Indiana). The report describes the work in three phases: (1) making explicit the problems with the previous language arts curriculum; (2) formulating a plan…

Bilevel formulation of a policy design problem considering multiple objectives and incomplete preferences

NASA Astrophysics Data System (ADS)

Hawthorne, Bryant; Panchal, Jitesh H.

2014-07-01

A bilevel optimization formulation of policy design problems considering multiple objectives and incomplete preferences of the stakeholders is presented. The formulation is presented for Feed-in-Tariff (FIT) policy design for decentralized energy infrastructure. The upper-level problem is the policy designer's problem and the lower-level problem is a Nash equilibrium problem resulting from market interactions. The policy designer has two objectives: maximizing the quantity of energy generated and minimizing policy cost. The stakeholders decide on quantities while maximizing net present value and minimizing capital investment. The Nash equilibrium problem in the presence of incomplete preferences is formulated as a stochastic linear complementarity problem and solved using expected value formulation, expected residual minimization formulation, and the Monte Carlo technique. The primary contributions in this article are the mathematical formulation of the FIT policy, the extension of computational policy design problems to multiple objectives, and the consideration of incomplete preferences of stakeholders for policy design problems.

Development of a carburizing and quenching simulation tool: A material model for low carbon steels undergoing phase transformations

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

Bammann, D.; Prantil, V.; Kumar, A.

1996-06-24

An internal state variable formulation for phase transforming alloy steels is presented. We have illustrated how local transformation plasticity can be accommodated by an appropriate choice for the corresponding internal stress field acting between the phases. The state variable framework compares well with a numerical micromechanical calculation providing a discrete dependence of microscopic plasticity on volume fraction and the stress dependence attributable to a softer parent phase. The multiphase model is used to simulate the stress state of a quenched bar and show qualitative trends in the response when the transformation phenomenon is incorporated on the length scale of amore » global boundary value problem.« less

Real time SAR processing

NASA Technical Reports Server (NTRS)

Premkumar, A. B.; Purviance, J. E.

1990-01-01

A simplified model for the SAR imaging problem is presented. The model is based on the geometry of the SAR system. Using this model an expression for the entire phase history of the received SAR signal is formulated. From the phase history, it is shown that the range and the azimuth coordinates for a point target image can be obtained by processing the phase information during the intrapulse and interpulse periods respectively. An architecture for a VLSI implementation for the SAR signal processor is presented which generates images in real time. The architecture uses a small number of chips, a new correlation processor, and an efficient azimuth correlation process.

Analytical study of bound states in graphene nanoribbons and carbon nanotubes: The variable phase method and the relativistic Levinson theorem

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

Miserev, D. S., E-mail: d.miserev@student.unsw.edu.au, E-mail: erazorheader@gmail.com

2016-06-15

The problem of localized states in 1D systems with a relativistic spectrum, namely, graphene stripes and carbon nanotubes, is studied analytically. The bound state as a superposition of two chiral states is completely described by their relative phase, which is the foundation of the variable phase method (VPM) developed herein. Based on our VPM, we formulate and prove the relativistic Levinson theorem. The problem of bound states can be reduced to the analysis of closed trajectories of some vector field. Remarkably, the Levinson theorem appears as the Poincaré index theorem for these closed trajectories. The VPM equation is also reducedmore » to the nonrelativistic and semiclassical limits. The limit of a small momentum p{sub y} of transverse quantization is applicable to an arbitrary integrable potential. In this case, a single confined mode is predicted.« less

Optimal design for robust control of uncertain flexible joint manipulators: a fuzzy dynamical system approach

NASA Astrophysics Data System (ADS)

Han, Jiang; Chen, Ye-Hwa; Zhao, Xiaomin; Dong, Fangfang

2018-04-01

A novel fuzzy dynamical system approach to the control design of flexible joint manipulators with mismatched uncertainty is proposed. Uncertainties of the system are assumed to lie within prescribed fuzzy sets. The desired system performance includes a deterministic phase and a fuzzy phase. First, by creatively implanting a fictitious control, a robust control scheme is constructed to render the system uniformly bounded and uniformly ultimately bounded. Both the manipulator modelling and control scheme are deterministic and not IF-THEN heuristic rules-based. Next, a fuzzy-based performance index is proposed. An optimal design problem for a control design parameter is formulated as a constrained optimisation problem. The global solution to this problem can be obtained from solving two quartic equations. The fuzzy dynamical system approach is systematic and is able to assure the deterministic performance as well as to minimise the fuzzy performance index.

Polynomial Size Formulations for the Distance and Capacity Constrained Vehicle Routing Problem

NASA Astrophysics Data System (ADS)

Kara, Imdat; Derya, Tusan

2011-09-01

The Distance and Capacity Constrained Vehicle Routing Problem (DCVRP) is an extension of the well known Traveling Salesman Problem (TSP). DCVRP arises in distribution and logistics problems. It would be beneficial to construct new formulations, which is the main motivation and contribution of this paper. We focused on two indexed integer programming formulations for DCVRP. One node based and one arc (flow) based formulation for DCVRP are presented. Both formulations have O(n2) binary variables and O(n2) constraints, i.e., the number of the decision variables and constraints grows with a polynomial function of the nodes of the underlying graph. It is shown that proposed arc based formulation produces better lower bound than the existing one (this refers to the Water's formulation in the paper). Finally, various problems from literature are solved with the node based and arc based formulations by using CPLEX 8.0. Preliminary computational analysis shows that, arc based formulation outperforms the node based formulation in terms of linear programming relaxation.

Algorithmic Perspectives on Problem Formulations in MDO

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Lewis, Robert Michael

2000-01-01

This work is concerned with an approach to formulating the multidisciplinary optimization (MDO) problem that reflects an algorithmic perspective on MDO problem solution. The algorithmic perspective focuses on formulating the problem in light of the abilities and inabilities of optimization algorithms, so that the resulting nonlinear programming problem can be solved reliably and efficiently by conventional optimization techniques. We propose a modular approach to formulating MDO problems that takes advantage of the problem structure, maximizes the autonomy of implementation, and allows for multiple easily interchangeable problem statements to be used depending on the available resources and the characteristics of the application problem.

Polarization of Narrowband VLF Transmitter Signals as an Ionospheric Diagnostic

NASA Astrophysics Data System (ADS)

Gross, N. C.; Cohen, M. B.; Said, R. K.; Gołkowski, M.

2018-01-01

Very low frequency (VLF, 3-30 kHz) transmitter remote sensing has long been used as a simple yet useful diagnostic for the D region ionosphere (60-90 km). All it requires is a VLF radio receiver that records the amplitude and/or phase of a beacon signal as a function of time. During both ambient and disturbed conditions, the received signal can be compared to predictions from a theoretical model to infer ionospheric waveguide properties like electron density. Amplitude and phase have in most cases been analyzed each as individual data streams, often only the amplitude is used. Scattered field formulation combines amplitude and phase effectively, but does not address how to combine two magnetic field components. We present polarization ellipse analysis of VLF transmitter signals using two horizontal components of the magnetic field. The shape of the polarization ellipse is unchanged as the source phase varies, which circumvents a significant problem where VLF transmitters have an unknown source phase. A synchronized two-channel MSK demodulation algorithm is introduced to mitigate 90° ambiguity in the phase difference between the horizontal magnetic field components. Additionally, the synchronized demodulation improves phase measurements during low-SNR conditions. Using the polarization ellipse formulation, we take a new look at diurnal VLF transmitter variations, ambient conditions, and ionospheric disturbances from solar flares, lightning-ionospheric heating, and lightning-induced electron precipitation, and find differing signatures in the polarization ellipse.

Acoustic streaming: an arbitrary Lagrangian-Eulerian perspective.

PubMed

Nama, Nitesh; Huang, Tony Jun; Costanzo, Francesco

2017-08-25

We analyse acoustic streaming flows using an arbitrary Lagrangian Eulerian (ALE) perspective. The formulation stems from an explicit separation of time scales resulting in two subproblems: a first-order problem, formulated in terms of the fluid displacement at the fast scale, and a second-order problem, formulated in terms of the Lagrangian flow velocity at the slow time scale. Following a rigorous time-averaging procedure, the second-order problem is shown to be intrinsically steady, and with exact boundary conditions at the oscillating walls. Also, as the second-order problem is solved directly for the Lagrangian velocity, the formulation does not need to employ the notion of Stokes drift, or any associated post-processing, thus facilitating a direct comparison with experiments. Because the first-order problem is formulated in terms of the displacement field, our formulation is directly applicable to more complex fluid-structure interaction problems in microacoustofluidic devices. After the formulation's exposition, we present numerical results that illustrate the advantages of the formulation with respect to current approaches.

SWIFT-Review: a text-mining workbench for systematic review.

PubMed

Howard, Brian E; Phillips, Jason; Miller, Kyle; Tandon, Arpit; Mav, Deepak; Shah, Mihir R; Holmgren, Stephanie; Pelch, Katherine E; Walker, Vickie; Rooney, Andrew A; Macleod, Malcolm; Shah, Ruchir R; Thayer, Kristina

2016-05-23

There is growing interest in using machine learning approaches to priority rank studies and reduce human burden in screening literature when conducting systematic reviews. In addition, identifying addressable questions during the problem formulation phase of systematic review can be challenging, especially for topics having a large literature base. Here, we assess the performance of the SWIFT-Review priority ranking algorithm for identifying studies relevant to a given research question. We also explore the use of SWIFT-Review during problem formulation to identify, categorize, and visualize research areas that are data rich/data poor within a large literature corpus. Twenty case studies, including 15 public data sets, representing a range of complexity and size, were used to assess the priority ranking performance of SWIFT-Review. For each study, seed sets of manually annotated included and excluded titles and abstracts were used for machine training. The remaining references were then ranked for relevance using an algorithm that considers term frequency and latent Dirichlet allocation (LDA) topic modeling. This ranking was evaluated with respect to (1) the number of studies screened in order to identify 95 % of known relevant studies and (2) the "Work Saved over Sampling" (WSS) performance metric. To assess SWIFT-Review for use in problem formulation, PubMed literature search results for 171 chemicals implicated as EDCs were uploaded into SWIFT-Review (264,588 studies) and categorized based on evidence stream and health outcome. Patterns of search results were surveyed and visualized using a variety of interactive graphics. Compared with the reported performance of other tools using the same datasets, the SWIFT-Review ranking procedure obtained the highest scores on 11 out of 15 of the public datasets. Overall, these results suggest that using machine learning to triage documents for screening has the potential to save, on average, more than 50 % of the screening effort ordinarily required when using un-ordered document lists. In addition, the tagging and annotation capabilities of SWIFT-Review can be useful during the activities of scoping and problem formulation. Text-mining and machine learning software such as SWIFT-Review can be valuable tools to reduce the human screening burden and assist in problem formulation.

Linear complementarity formulation for 3D frictional sliding problems

USGS Publications Warehouse

Kaven, Joern; Hickman, Stephen H.; Davatzes, Nicholas C.; Mutlu, Ovunc

2012-01-01

Frictional sliding on quasi-statically deforming faults and fractures can be modeled efficiently using a linear complementarity formulation. We review the formulation in two dimensions and expand the formulation to three-dimensional problems including problems of orthotropic friction. This formulation accurately reproduces analytical solutions to static Coulomb friction sliding problems. The formulation accounts for opening displacements that can occur near regions of non-planarity even under large confining pressures. Such problems are difficult to solve owing to the coupling of relative displacements and tractions; thus, many geomechanical problems tend to neglect these effects. Simple test cases highlight the importance of including friction and allowing for opening when solving quasi-static fault mechanics models. These results also underscore the importance of considering the effects of non-planarity in modeling processes associated with crustal faulting.

A renaissance of soaps? - How to make clear and stable solutions at neutral pH and room temperature.

PubMed

Wolfrum, Stefan; Marcus, Julien; Touraud, Didier; Kunz, Werner

2016-10-01

Soaps are the oldest and perhaps most natural surfactants. However, they lost much of their importance since "technical surfactants", usually based on sulfates or sulfonates, have been developed over the last fifty years. Indeed, soaps are pH- and salt-sensitive and they are irritant, especially to the eyes. In food emulsions, although authorized, they have a bad taste, and long-chain saturated soaps have a high Krafft temperature. We believe that most or perhaps all of these problems can be solved with modern formulation approaches. We start this paper with a short overview of our present knowledge of soaps and soap formulations. Then we focus on the problem of the lacking soap solubility at neutral pH values. For example, it is well known that with the food emulsifier sodium oleate (NaOl), clear and stable aqueous solutions can only be obtained at pH values higher than 10. A decrease in the pH value leads to turbid and unstable solutions. This effect is not compatible with the formulation of aqueous stable and drinkable formulations with neutral or even acidic pH values. However, the pH value/phase behavior of aqueous soap solutions can be altered by the addition of other surfactants. Such a surfactant can be Rebaudioside A (RebA), a steviol glycoside from the plant Stevia rebaudiana which is used as a natural food sweetener. In a recent paper, we showed the influence of RebA on the apKa value of sodium oleate in a beverage microemulsion and on its clearing temperature. In the present paper, we report on the effect of the edible bio-surfactant RebA, on the macroscopic and microscopic phase behavior of simple aqueous sodium oleate solutions at varying pH values. The macroscopic phase behavior is investigated by visual observation and turbidity measurements. The microscopic phase behavior is analyzed by acid-base titration curves, phase-contrast and electron microscopy. It turned out that even at neutral pH, aqueous NaOl/RebA solutions can be completely clear and stable for more than 50days at room temperature. This is for the first time that a long chain soap could be really solubilized in water at neutral pH at room temperature. At last, these findings were applied to prepare stable, highly translucent and drinkable aqueous solutions of omega-3-fatty acids at a pH value of 7.5. Copyright © 2016 Elsevier B.V. All rights reserved.

Forest research notes, Pacific Northwest Forest Experiment Station, No. 03, October 30, 1929.

Treesearch

1929-01-01

To obtain definite information which can be used in formulating slash disposal policies, the Pacific Northwest Forest Experiment Station has begun a study of the slash problem in the Douglas fir region. Although there are numerous related but widely different aspects to this study, only one phase is treated in this brief summary, namely, the effect of fire on the...

New variables for classical and quantum gravity

NASA Technical Reports Server (NTRS)

Ashtekar, Abhay

1986-01-01

A Hamiltonian formulation of general relativity based on certain spinorial variables is introduced. These variables simplify the constraints of general relativity considerably and enable one to imbed the constraint surface in the phase space of Einstein's theory into that of Yang-Mills theory. The imbedding suggests new ways of attacking a number of problems in both classical and quantum gravity. Some illustrative applications are discussed.

Implementing Effective Mission Systems Engineering Practices During Early Project Formulation Phases

NASA Technical Reports Server (NTRS)

Moton, Tryshanda

2016-01-01

Developing and implementing a plan for a NASA space mission can be a complicated process. The needs, goals, and objectives of any proposed mission or technology must be assessed early in the Project Life Cycle. The key to successful development of a space mission or flight project is the inclusion of systems engineering in early project formulation, namely during Pre-phase A, Phase A, and Phase B of the NASA Project Life Cycle. When a space mission or new technology is in pre-development, or "pre-Formulation", feasibility must be determined based on cost, schedule, and risk. Inclusion of system engineering during project formulation is key because in addition to assessing feasibility, design concepts are developed and alternatives to design concepts are evaluated. Lack of systems engineering involvement early in the project formulation can result in increased risks later in the implementation and operations phases of the project. One proven method for effective systems engineering practice during the pre-Formulation Phase is the use of a mission conceptual design or technology development laboratory, such as the Mission Design Lab (MDL) at NASA's Goddard Space Flight Center (GSFC). This paper will review the engineering process practiced routinely in the MDL for successful mission or project development during the pre-Formulation Phase.

Chaotic behavior of a spin-glass model on a Cayley tree

NASA Astrophysics Data System (ADS)

da Costa, F. A.; de Araújo, J. M.; Salinas, S. R.

2015-06-01

We investigate the phase diagram of a spin-1 Ising spin-glass model on a Cayley tree. According to early work of Thompson and collaborators, this problem can be formulated in terms of a set of nonlinear discrete recursion relations along the branches of the tree. Physically relevant solutions correspond to the attractors of these mapping equations. In the limit of infinite coordination of the tree, and for some choices of the model parameters, we make contact with findings for the phase diagram of more recently investigated versions of the Blume-Emery-Griffiths spin-glass model. In addition to the anticipated phases, we numerically characterize the existence of modulated and chaotic structures.

Acoustic streaming: an arbitrary Lagrangian–Eulerian perspective

PubMed Central

Nama, Nitesh; Huang, Tony Jun; Costanzo, Francesco

2017-01-01

We analyse acoustic streaming flows using an arbitrary Lagrangian Eulerian (ALE) perspective. The formulation stems from an explicit separation of time scales resulting in two subproblems: a first-order problem, formulated in terms of the fluid displacement at the fast scale, and a second-order problem, formulated in terms of the Lagrangian flow velocity at the slow time scale. Following a rigorous time-averaging procedure, the second-order problem is shown to be intrinsically steady, and with exact boundary conditions at the oscillating walls. Also, as the second-order problem is solved directly for the Lagrangian velocity, the formulation does not need to employ the notion of Stokes drift, or any associated post-processing, thus facilitating a direct comparison with experiments. Because the first-order problem is formulated in terms of the displacement field, our formulation is directly applicable to more complex fluid–structure interaction problems in microacoustofluidic devices. After the formulation’s exposition, we present numerical results that illustrate the advantages of the formulation with respect to current approaches. PMID:29051631

Development of biology student worksheets to facilitate science process skills of student

NASA Astrophysics Data System (ADS)

Rahayu, Y. S.; Pratiwi, R.; Indana, S.

2018-01-01

This research aims to describe development of Biology student worksheets to facilitate science process skills of student, at the same time to facilitate thinking skills of students in senior high school are equipped with Assesment Sheets. The worksheets development refers to cycle which includes phase analysis (analysis), planning (planning), design (design), development (development), implementation (implementation), evaluation and revision (evaluation and revision). Phase evaluation and revision is an ongoing activity conducted in each phase of the development cycle. That is, after the evaluation of the results of these activities and make revisions at any phase, then continue to the next phase. Based on the test results for grade X, XI, and XII in St. Agnes Surabaya high school, obtained some important findings. The findings are as follows. (1) Developed biology student worksheets could be used to facilitate thinking ability of students in particular skills integrated process that includes components to formulate the problem, formulate hypotheses, determine the study variables, formulate an operational definition of variables, determine the steps in the research, planning data tables, organizing Data in the form of tables/charts, drawing conclusions, (2) Developed biology student worksheets could also facilitate the development of social interaction of students such as working together, listening/respect the opinions of others, assembling equipment and materials, discuss and share information and facilitate the upgrading of skills hands-on student activity. (3) Developed biology worksheets basically could be implemented with the guidance of the teacher step by step, especially for students who have never used a similar worksheet. Guidance at the beginning of this need, especially for worksheets that require special skills or understanding of specific concepts as a prerequisite, such as using a microscope, determine the heart rate, understand the mechanism of specific indicators.

Axial field shaping under high-numerical-aperture focusing

NASA Astrophysics Data System (ADS)

Jabbour, Toufic G.; Kuebler, Stephen M.

2007-03-01

Kant reported [J. Mod. Optics47, 905 (2000)] a formulation for solving the inverse problem of vector diffraction, which accurately models high-NA focusing. Here, Kant's formulation is adapted to the method of generalized projections to obtain an algorithm for designing diffractive optical elements (DOEs) that reshape the axial point-spread function (PSF). The algorithm is applied to design a binary phase-only DOE that superresolves the axial PSF with controlled increase in axial sidelobes. An 11-zone DOE is identified that axially narrows the PSF central lobe by 29% while maintaining the sidelobe intensity at or below 52% of the peak intensity. This DOE could improve the resolution achievable in several applications without significantly complicating the optical system.

The formulation of a nasal nanoemulsion zaleplon in situ gel for the treatment of insomnia.

PubMed

Hosny, Khaled Mohamed; Banjar, Zainy Mohammed

2013-08-01

Zaleplon is a drug used for the treatment of insomnia and is available in tablet form; however, it has two major problems. First, the drug undergoes extensive first pass metabolism, resulting in only 30% bioavailability, and second, the drug has a poor aqueous solubility, which delays the onset of action. The objective of this study is to utilise nanotechnology to formulate zaleplon into a nasal in situ nanoemulsion gel (NEG) to provide a solution for the previously mentioned problems. The solubility of zaleplon in various oils, surfactants and co-surfactants was estimated. Pseudo-ternary phase diagrams were developed and various nanoemulsion (NE) formulations were prepared; these formulations were subjected to visual characterisation, thermodynamic stability study and droplet size and conductivity measurements. Carbopol 934 was used as an in situ gelling agent. The gel strength, pH, gelation time, in vitro release and ex vivo nasal permeation were determined. The pharmacokinetic study of the NEG was carried out in rabbits. Stable NEs were successfully developed with a droplet size range of 35 to 73 nm. A NEG composed of 15% Miglyol, 30% Labrasol and 10% PEG 200 successfully provided the maximum in vitro and ex vivo permeation and enhanced the bioavailability in the rabbits by eightfold, when compared with the marketed tablets. The nasal NEG is a promising novel formula for zaleplon that has higher nasal tissue permeability and enhanced systemic bioavailability.

A Study of Energy Partitioning Using A Set of Related Explosive Formulations

NASA Astrophysics Data System (ADS)

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

2011-06-01

Condensed phase high explosives convert potential energy stored in the electro-magnetic field structure of complex molecules to kinetic energy during the detonation process. This energy is manifest in the internal thermodynamic energy and the translational flow of the products. Historically, the explosive design problem has focused on intramolecular stoichiometry providing prompt reactions based on transport physics at the molecular scale. Modern material design has evolved to approaches that employee intermolecular ingredients to alter the spatial and temporal distribution of energy release. CHEETA has been used to produce data for a set of fictitious explosive formulations based on C-4 to study the partitioning of the available energy between internal and flow energy in the detonation. The equation of state information from CHEETA has been used in ALE3D to develop an understanding of the relationship between variations in the formulation parameters and the internal energy cycle in the products.

Simulation of a manual electric-arc welding in a working gas pipeline. 1. Formulation of the problem

NASA Astrophysics Data System (ADS)

Baikov, V. I.; Gishkelyuk, I. A.; Rus', A. M.; Sidorovich, T. V.; Tonkonogov, B. A.

2010-11-01

Problems of mathematical simulation of the temperature stresses arising in the wall of a pipe of a cross-country gas pipeline in the process of electric-arc welding of defects in it have been considered. Mathematical models of formation of temperatures, deformations, and stresses in a gas pipe subjected to phase transformations have been developed. These models were numerically realized in the form of algorithms representing a part of an application-program package. Results of verification of the computational complex and calculation results obtained with it are presented.

The coupled three-dimensional wave packet approach to reactive scattering

NASA Astrophysics Data System (ADS)

Marković, Nikola; Billing, Gert D.

1994-01-01

A recently developed scheme for time-dependent reactive scattering calculations using three-dimensional wave packets is applied to the D+H2 system. The present method is an extension of a previously published semiclassical formulation of the scattering problem and is based on the use of hyperspherical coordinates. The convergence requirements are investigated by detailed calculations for total angular momentum J equal to zero and the general applicability of the method is demonstrated by solving the J=1 problem. The inclusion of the geometric phase is also discussed and its effect on the reaction probability is demonstrated.

Equivalence between three scattering formulations for ultrasonic wave propagation in particulate mixtures

NASA Astrophysics Data System (ADS)

Challis, R. E.; Tebbutt, J. S.; Holmes, A. K.

1998-12-01

The aim of this paper is to present a unified approach to the calculation of the complex wavenumber for a randomly distributed ensemble of homogeneous isotropic spheres suspended in a homogeneous isotropic continuum. Three classical formulations of the diffraction problem for a compression wave incident on a single particle are reviewed; the first is for liquid particles in a liquid continuum (Epstein and Carhart), the second for solid or liquid particles in a liquid continuum (Allegra and Hawley), and the third for solid particles in a solid continuum (Ying and Truell). Equivalences between these formulations are demonstrated and it is shown that the Allegra and Hawley formulation can be adapted to provide a basis for calculation in all three regimes. The complex wavenumber that results from an ensemble of such scatterers is treated using the formulations of Foldy (simple forward scattering), Waterman and Truell, and Lloyd and Berry (multiple scattering). The analysis is extended to provide an approximation for the case of a distribution of particle sizes in the mixture. A number of experimental measurements using a broadband spectrometric technique (reported elsewhere) to obtain the attenuation coefficient and phase velocity as functions of frequency are presented for various mixtures of differing contrasts in physical properties between phases in order to provide a comparison with theory. The materials used were aqueous suspensions of polystyrene spheres, silica spheres, iron spheres, 0022-3727/31/24/012/img1 pigment (AHR), droplets of 1-bromohexadecane, and a suspension of talc particles in a cured epoxy resin.

Development of terbinafine solid lipid nanoparticles as a topical delivery system

PubMed Central

Chen, Ying-Chen; Liu, Der-Zen; Liu, Jun-Jen; Chang, Tsung-Wei; Ho, Hsiu-O; Sheu, Ming-Thau

2012-01-01

To resolve problems of long treatment durations and frequent administration of the antifungal agent terbinafine (TB), solid lipid nanoparticles (SLNs) with the ability to load lipophilic drugs and nanosize were developed. The SLNs were manufactured by a microemulsion technique in which glyceryl monostearate (GMS), glyceryl behenate (Compritol® 888; Gattefossé), and glyceryl palmitostearate (Precirol® ATO 5; Gattefossé) were used as the solid lipid phases, Tween® and Cremophor® series as the surfactants, and propylene glycol as the cosurfactant to construct ternary phase diagrams. The skin of nude mice was used as a barrier membrane, and penetration levels of TB of the designed formulations and a commercial product, Lamisil® Once™ (Novartis Pharmaceuticals), in the stratum corneum (SC), viable epidermis, and dermis were measured; particle sizes were determined as an indicator of stability. The optimal SLN system contained a <5% lipid phase and >50% water phase. The addition of ethanol or etchants had no significant effect on enhancing the amount of TB that penetrated the skin layers, but it was enhanced by increasing the percentage of the lipid phase. Furthermore, the combination of GMS and Compritol® 888 was able to increase the stable amount of TB that penetrated all skin layers. For the ACP1-GM1 (4% lipid phase; Compritol® 888: GMS of 1:1) formulation, the amount of TB that penetrated the SC was similar to that of Lamisil® Once™, whereas the amount of TB of the dermis was higher than that of Lamisil® Once™ at 12 hours, and it was almost the same as that of Lamisil® Once™ at 24 hours. It was concluded that the application of ACP1-GM1 for 12 hours might have an efficacy comparable to that of Lamisil® Once™ for 24 hours, which would resolve the practical problem of the longer administration period that is necessary for Lamisil® Once™. PMID:22923986

On the Miller-Tucker-Zemlin Based Formulations for the Distance Constrained Vehicle Routing Problems

NASA Astrophysics Data System (ADS)

Kara, Imdat

2010-11-01

Vehicle Routing Problem (VRP), is an extension of the well known Traveling Salesman Problem (TSP) and has many practical applications in the fields of distribution and logistics. When the VRP consists of distance based constraints it is called Distance Constrained Vehicle Routing Problem (DVRP). However, the literature addressing on the DVRP is scarce. In this paper, existing two-indexed integer programming formulations, having Miller-Tucker-Zemlin based subtour elimination constraints, are reviewed. Existing formulations are simplified and obtained formulation is presented as formulation F1. It is shown that, the distance bounding constraints of the formulation F1, may not generate the distance traveled up to the related node. To do this, we redefine the auxiliary variables of the formulation and propose second formulation F2 with new and easy to use distance bounding constraints. Adaptation of the second formulation to the cases where new restrictions such as minimal distance traveled by each vehicle or other objectives such as minimizing the longest distance traveled is discussed.

Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food

NASA Astrophysics Data System (ADS)

Leung, M.; Ching, W. H.; Leung, D. Y. C.; Lam, G. C. K.

2005-02-01

A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others.

IRIS Toxicological Review of Polychlorinated Biphenyls (PCBS) (Scoping and Problem Formulation Materials)

EPA Science Inventory

In March 2015, EPA invited the public to provide input and participate in discussions about problem formulation, preliminary assessment materials, and draft IRIS assessments. During problem formulation, the IRIS Program was looking for input from the scientific community and the ...

Multimaterial topology optimization of contact problems using phase field regularization

NASA Astrophysics Data System (ADS)

Myśliński, Andrzej

2018-01-01

The numerical method to solve multimaterial topology optimization problems for elastic bodies in unilateral contact with Tresca friction is developed in the paper. The displacement of the elastic body in contact is governed by elliptic equation with inequality boundary conditions. The body is assumed to consists from more than two distinct isotropic elastic materials. The materials distribution function is chosen as the design variable. Since high contact stress appears during the contact phenomenon the aim of the structural optimization problem is to find such topology of the domain occupied by the body that the normal contact stress along the boundary of the body is minimized. The original cost functional is regularized using the multiphase volume constrained Ginzburg-Landau energy functional rather than the perimeter functional. The first order necessary optimality condition is recalled and used to formulate the generalized gradient flow equations of Allen-Cahn type. The optimal topology is obtained as the steady state of the phase transition governed by the generalized Allen-Cahn equation. As the interface width parameter tends to zero the transition of the phase field model to the level set model is studied. The optimization problem is solved numerically using the operator splitting approach combined with the projection gradient method. Numerical examples confirming the applicability of the proposed method are provided and discussed.

CRC/EORTC/NCI Joint Formulation Working Party: experiences in the formulation of investigational cytotoxic drugs.

PubMed Central

Beijnen, J. H.; Flora, K. P.; Halbert, G. W.; Henrar, R. E.; Slack, J. A.

1995-01-01

The pharmaceutical formulation of a new anti-tumour agent has often been perceived as the bottleneck in anti-cancer drug development. In order to increase the speed of this essential development step, the Cancer Research Campaign (CRC), the European Organization for Research and Treatment of Cancer (EORTC) and the National Cancer Institute (NCI) agreed in 1987 to form the Joint Formulation Working Party (JFWP). The main goal of the JFWP is to facilitate the rapid progress of a new drug through pharmaceutical developmental to preclinical toxicology and subsequently to phase I clinical trial. Under the auspices of the JFWP around 50 new agents have been developed or are currently in development. In this report we present our formulation experiences since the establishment of the JFWP with a selected number of agents: aphidicolin glycinate, bryostatin 1, carmethizole, carzelesin, combretastatin A4, dabis maleate, disulphonated aluminium phthalocyanine, E.O.9, 4-hydroxyanisole, pancratistatin, rhizoxin, Springer pro-drug, SRI 62-834, temozolomide, trimelamol and V489. The approaches used and problems presented may be of general interest to scientists in related fields and those considering submitting agents for development. PMID:7599054

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

Layton, E.; Huang, Y.; Chu, S.

We show that cyclic quantum evolution can be realized and the Aharonov-Anandan (AA) geometric phase can be determined for any spin-{ital j} system driven by periodic fields. Two methods are extended for the study of this problem: the generalized spin-coherent-state technique and the Floquet quasienergy approach. Using the former approach, we have developed a {ital generalized} Bloch-sphere model and presented a SU(2) Lie-group formulation of the AA geometric phase in the spin-coherent state. We show that the AA phase is equal to {ital j} times the solid angle enclosed by the trajectory traced out by the tip of a generalizedmore » Bloch vector. General analytic formulas are obtained for the Bloch vector trajectory and the AA geometric phase in terms of external physical parameters. In addition to these findings, we have also approached the same problem from an alternative but complementary point of view without recourse to the concept of coherent-state terminology. Here we first determine the Floquet quasienergy eigenvalues and eigenvectors for the spin-{ital j} system driven by periodic fields. This in turn allows the construction of the time-evolution propagator, the total wave function, and the AA geometric phase in a more general fashion.« less

The damper placement problem for large flexible space structures

NASA Technical Reports Server (NTRS)

Kincaid, Rex K.

1992-01-01

The damper placement problem for large flexible space truss structures is formulated as a combinatorial optimization problem. The objective is to determine the p truss members of the structure to replace with active (or passive) dampers so that the modal damping ratio is as large as possible for all significant modes of vibration. Equivalently, given a strain energy matrix with rows indexed on the modes and the columns indexed on the truss members, we seek to find the set of p columns such that the smallest row sum, over the p columns, is maximized. We develop a tabu search heuristic for the damper placement problems on the Controls Structures Interaction (CSI) Phase 1 Evolutionary Model (10 modes and 1507 truss members). The resulting solutions are shown to be of high quality.

Drug Release and Skin Permeation from Lipid Liquid Crystalline Phases

NASA Astrophysics Data System (ADS)

Costa-Balogh, F. O.; Sparr, E.; Sousa, J. J. S.; Pais, A. A. C. C.

We have studied drug release and skin permeation from several different liquid crystalline lipid formulations that may be used to control the respective release rates. We have studied the release and permeation through human skin of a water-soluble and amphiphilic drug, propranolol hydrochloride, from several formulations prepared with monoolein and phytantriol as permeation enhancers and controlled release excipients. Diolein and cineol were added to selected formulations. We observed that viscosity decreases with drug load, wich is compatible with the occurrence of phase changes. Diolein stabilizes the bicontinuous cubic phases leading to an increase in viscosity and sustained release of the drug. The slowest release was found for the cubic phases with higher viscosity. Studies on skin permeation showed that these latter formulations also presented lower permeability than the less viscous monoolein lamellar phases. Formulations containing cineol originated higher permeability with higher enhancement ratios. Thus, the various formulations are adapted to different circumstances and delivery routes. While a slow release is usually desired for drug sustained delivery, the transdermal route may require a faster release. Lamellar phases, which are less viscous, are more adapted to transdermal applications. Thus, systems involving lamellar phases of monoolein and cineol are good candidates to be used as skin permeation enhancers for propranolol hydrochloride.

Advances in Quantum Trajectory Approaches to Dynamics

NASA Astrophysics Data System (ADS)

Askar, Attila

2001-03-01

The quantum fluid dynamics (QFD) formulation is based on the separation of the amplitude and phase of the complex wave function in Schrodinger's equation. The approach leads to conservation laws for an equivalent "gas continuum". The Lagrangian [1] representation corresponds to following the particles of the fluid continuum, i. e. calculating "quantum trajectories". The Eulerian [2] representation on the other hand, amounts to observing the dynamics of the gas continuum at the points of a fixed coordinate frame. The combination of several factors leads to a most encouraging computational efficiency. QFD enables the numerical analysis to deal with near monotonic amplitude and phase functions. The Lagrangian description concentrates the computation effort to regions of highest probability as an optimal adaptive grid. The Eulerian representation allows the study of multi-coordinate problems as a set of one-dimensional problems within an alternating direction methodology. An explicit time integrator limits the increase in computational effort with the number of discrete points to linear. Discretization of the space via local finite elements [1,2] and global radial functions [3] will be discussed. Applications include wave packets in four-dimensional quadratic potentials and two coordinate photo-dissociation problems for NOCl and NO2. [1] "Quantum fluid dynamics (QFD) in the Lagrangian representation with applications to photo-dissociation problems", F. Sales, A. Askar and H. A. Rabitz, J. Chem. Phys. 11, 2423 (1999) [2] "Multidimensional wave-packet dynamics within the fluid dynamical formulation of the Schrodinger equation", B. Dey, A. Askar and H. A. Rabitz, J. Chem. Phys. 109, 8770 (1998) [3] "Solution of the quantum fluid dynamics equations with radial basis function interpolation", Xu-Guang Hu, Tak-San Ho, H. A. Rabitz and A. Askar, Phys. Rev. E. 61, 5967 (2000)

The SIMRAND methodology - Simulation of Research and Development Projects

NASA Technical Reports Server (NTRS)

Miles, R. F., Jr.

1984-01-01

In research and development projects, a commonly occurring management decision is concerned with the optimum allocation of resources to achieve the project goals. Because of resource constraints, management has to make a decision regarding the set of proposed systems or tasks which should be undertaken. SIMRAND (Simulation of Research and Development Projects) is a methodology which was developed for aiding management in this decision. Attention is given to a problem description, aspects of model formulation, the reduction phase of the model solution, the simulation phase, and the evaluation phase. The implementation of the considered approach is illustrated with the aid of an example which involves a simplified network of the type used to determine the price of silicon solar cells.

Constructing Abstraction Hierarchies Using a Skill-Symbol Loop

PubMed Central

Konidaris, George

2017-01-01

We describe a framework for building abstraction hierarchies whereby an agent alternates skill- and representation-construction phases to construct a sequence of increasingly abstract Markov decision processes. Our formulation builds on recent results showing that the appropriate abstract representation of a problem is specified by the agent’s skills. We describe how such a hierarchy can be used for fast planning, and illustrate the construction of an appropriate hierarchy for the Taxi domain. PMID:28579718

Dynamically Reconfigurable Approach to Multidisciplinary Problems

NASA Technical Reports Server (NTRS)

Alexandrov, Natalie M.; Lewis, Robert Michael

2003-01-01

The complexity and autonomy of the constituent disciplines and the diversity of the disciplinary data formats make the task of integrating simulations into a multidisciplinary design optimization problem extremely time-consuming and difficult. We propose a dynamically reconfigurable approach to MDO problem formulation wherein an appropriate implementation of the disciplinary information results in basic computational components that can be combined into different MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. We believe that this structure can and should be used to formulate and solve optimization problems in the multidisciplinary context. The present work identifies the basic computational components in several MDO problem formulations and examines the dynamically reconfigurable approach in the context of a popular class of optimization methods. We show that if the disciplinary sensitivity information is implemented in a modular fashion, the transfer of sensitivity information among the formulations under study is straightforward. This enables not only experimentation with a variety of problem formations in a research environment, but also the flexible use of formulations in a production design environment.

Impact of the digital revolution on the future of pharmaceutical formulation science.

PubMed

Leuenberger, Hans; Leuenberger, Michael N

2016-05-25

The ongoing digital revolution is no longer limited to the application of apps on the smart phone for daily needs but starts to affect also our professional life in formulation science. The software platform F-CAD (Formulation-Computer Aided Design) of CINCAP can be used to develop and test in silico capsule and tablet formulations. Such an approach allows the pharmaceutical industry to adopt the workflow of the automotive and aircraft industry. Thus, the first prototype of the drug delivery vehicle is prepared virtually by mimicking the composition (particle size distribution of the active drug substance and of the excipients within the tablet) and the process such as direct compression to obtain a defined porosity. The software is based on a cellular automaton (CA) process mimicking the dissolution profile of the capsule or tablet formulation. To take account of the type of dissolution equipment and all SOPs (Standard Operation Procedures) such as a single punch press to manufacture the tablet, a calibration of the F-CAD dissolution profile of the virtual tablet is needed. Thus, the virtual tablet becomes a copy of the real tablet. This statement is valid for all tablets manufactured within the same formulation design space. For this reason, it is important to define already for Clinical Phase I the formulation design space and to work only within this formulation design space consisting of the composition and the processes during all the Clinical Phases. Thus, it is not recommended to start with a simple capsule formulation as service dosage form and to change later to a market ready tablet formulation. The availability of F-CAD is a necessary, but not a sufficient condition to implement the workflow of the automotive and aircraft industry for developing and testing drug delivery vehicles. For a successful implementation of the new workflow, a harmonization of the equipment and the processes between the development and manufacturing departments is a must. In this context, the clinical samples for Clinical Phases I and II should be prepared with a mechanical simulator of the high-speed rotary press used for large batches for Clinical Phases III & IV. If not, the problem of working practically and virtually in different formulation design spaces will remain causing worldwide annually billion of $ losses according to the study of Benson and MacCabe. The harmonization of equipment and processes needs a close cooperation between the industrial pharmacist and the pharmaceutical engineer. In addition, Virtual Equipment Simulators (VESs) of small and large scale equipment for training and computer assisted scale-up would be desirable. A lean and intelligent management information and documentation system will improve the connectivity between the different work stations. Thus, in future, it may be possible to rent at low costs F-CAD as an IT (Information Technology) platform based on a cloud computing solution. By the adoption of the workflow of the automotive and aircraft industry significant savings, a reduced time to market, a lower attrition rate, and a much higher quality of the final marketed dosage form can be achieved. Copyright © 2016 Elsevier B.V. All rights reserved.

Simultaneous estimation of multiple phases in digital holographic interferometry using state space analysis

NASA Astrophysics Data System (ADS)

Kulkarni, Rishikesh; Rastogi, Pramod

2018-05-01

A new approach is proposed for the multiple phase estimation from a multicomponent exponential phase signal recorded in multi-beam digital holographic interferometry. It is capable of providing multidimensional measurements in a simultaneous manner from a single recording of the exponential phase signal encoding multiple phases. Each phase within a small window around each pixel is appproximated with a first order polynomial function of spatial coordinates. The problem of accurate estimation of polynomial coefficients, and in turn the unwrapped phases, is formulated as a state space analysis wherein the coefficients and signal amplitudes are set as the elements of a state vector. The state estimation is performed using the extended Kalman filter. An amplitude discrimination criterion is utilized in order to unambiguously estimate the coefficients associated with the individual signal components. The performance of proposed method is stable over a wide range of the ratio of signal amplitudes. The pixelwise phase estimation approach of the proposed method allows it to handle the fringe patterns that may contain invalid regions.

Final Technical Report for Quantum Embedding for Correlated Electronic Structure in Large Systems and the Condensed Phase

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

Chan, Garnet Kin-Lic

2017-04-30

This is the final technical report. We briefly describe some selected results below. Developments in density matrix embedding. DMET is a quantum embedding theory that we introduced at the beginning of the last funding period, around 2012-2013. Since the first DMET papers, which demonstrated proof-of- principle calculations on the Hubbard model and hydrogen rings, we have carried out a number of different developments, including: Extending the DMET technology to compute broken symmetry phases, including magnetic phases and super- conductivity (Pub. 13); Calibrating the accuracy of DMET and its cluster size convergence against other methods, and formulation of a dynamical clustermore » analog (Pubs. 4, 10) (see Fig. 1); Implementing DMET for ab-initio molecular calculations, and exploring different self-consistency criteria (Pubs. 9, 14); Using embedding to defi ne quantum classical interfaces Pub. 2; Formulating DMET for spectral functions (Pub. 7) (see Fig. 1); Extending DMET to coupled fermion-boson problems (Pub. 12). Together with these embedding developments, we have also implemented a wide variety of impurity solvers within our DMET framework, including DMRG (Pub. 3), AFQMC (Pub. 10), and coupled cluster theory (CC) (Pub. 9).« less

TSCA Work Plan Chemical Problem Formulation and Initial Assessment Tetrabromobisphenol A and Related Chemicals Cluster Flame Retardants

EPA Pesticide Factsheets

EPA released a problem formulation for TBBPA and related chemicals used as a flame retardants in plastics/printed circuit boards for electronics. The goal of this problem formulation was to identify scenarios where further risk analysis may be necessary.

A study of the response of nonlinear springs

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Knott, T. W.; Johnson, E. R.

1991-01-01

The various phases to developing a methodology for studying the response of a spring-reinforced arch subjected to a point load are discussed. The arch is simply supported at its ends with both the spring and the point load assumed to be at midspan. The spring is present to off-set the typical snap through behavior normally associated with arches, and to provide a structure that responds with constant resistance over a finite displacement. The various phases discussed consist of the following: (1) development of the closed-form solution for the shallow arch case; (2) development of a finite difference analysis to study (shallow) arches; and (3) development of a finite element analysis for studying more general shallow and nonshallow arches. The two numerical analyses rely on a continuation scheme to move the solution past limit points, and to move onto bifurcated paths, both characteristics being common to the arch problem. An eigenvalue method is used for a continuation scheme. The finite difference analysis is based on a mixed formulation (force and displacement variables) of the governing equations. The governing equations for the mixed formulation are in first order form, making the finite difference implementation convenient. However, the mixed formulation is not well-suited for the eigenvalue continuation scheme. This provided the motivation for the displacement based finite element analysis. Both the finite difference and the finite element analyses are compared with the closed form shallow arch solution. Agreement is excellent, except for the potential problems with the finite difference analysis and the continuation scheme. Agreement between the finite element analysis and another investigator's numerical analysis for deep arches is also good.

Study of microwave drying of wet materials based on one-dimensional two-phase model

NASA Astrophysics Data System (ADS)

Salomatov, Vl V.; Karelin, V. A.

2017-11-01

Currently, microwave is one of the most interesting ways to conduct drying of dielectric materials, in particular coal. In this paper, two processes were considered - heating and drying. The temperature field of the coal semi-mass in the heating mode is found analytically strictly with the use of integral transformations. The drying process is formulated as a nonlinear Stephen problem with a moving boundary of the liquid-vapor phase transformation. The temperature distribution, speed and drying time in this mode are determined approximately analytically. Parametric analysis of the influence of the material and boundary conditions on the dynamics of warming up and drying is revealed.

A positivity preserving and conservative variational scheme for phase-field modeling of two-phase flows

NASA Astrophysics Data System (ADS)

Joshi, Vaibhav; Jaiman, Rajeev K.

2018-05-01

We present a positivity preserving variational scheme for the phase-field modeling of incompressible two-phase flows with high density ratio. The variational finite element technique relies on the Allen-Cahn phase-field equation for capturing the phase interface on a fixed Eulerian mesh with mass conservative and energy-stable discretization. The mass conservation is achieved by enforcing a Lagrange multiplier which has both temporal and spatial dependence on the underlying solution of the phase-field equation. To make the scheme energy-stable in a variational sense, we discretize the spatial part of the Lagrange multiplier in the phase-field equation by the mid-point approximation. The proposed variational technique is designed to reduce the spurious and unphysical oscillations in the solution while maintaining the second-order accuracy of both spatial and temporal discretizations. We integrate the Allen-Cahn phase-field equation with the incompressible Navier-Stokes equations for modeling a broad range of two-phase flow and fluid-fluid interface problems. The coupling of the implicit discretizations corresponding to the phase-field and the incompressible flow equations is achieved via nonlinear partitioned iterative procedure. Comparison of results between the standard linear stabilized finite element method and the present variational formulation shows a remarkable reduction of oscillations in the solution while retaining the boundedness of the phase-indicator field. We perform a standalone test to verify the accuracy and stability of the Allen-Cahn two-phase solver. We examine the convergence and accuracy properties of the coupled phase-field solver through the standard benchmarks of the Laplace-Young law and a sloshing tank problem. Two- and three-dimensional dam break problems are simulated to assess the capability of the phase-field solver for complex air-water interfaces involving topological changes on unstructured meshes. Finally, we demonstrate the phase-field solver for a practical offshore engineering application of wave-structure interaction.

Formulation optimization of transdermal meloxicam potassium-loaded mesomorphic phases containing ethanol, oleic acid and mixture surfactant using the statistical experimental design methodology.

PubMed

Huang, Chi-Te; Tsai, Chia-Hsun; Tsou, Hsin-Yeh; Huang, Yaw-Bin; Tsai, Yi-Hung; Wu, Pao-Chu

2011-01-01

Response surface methodology (RSM) was used to develop and optimize the mesomorphic phase formulation for a meloxicam transdermal dosage form. A mixture design was applied to prepare formulations which consisted of three independent variables including oleic acid (X(1)), distilled water (X(2)) and ethanol (X(3)). The flux and lag time (LT) were selected as dependent variables. The result showed that using mesomorphic phases as vehicles can significantly increase flux and shorten LT of drug. The analysis of variance showed that the permeation parameters of meloxicam from formulations were significantly influenced by the independent variables and their interactions. The X(3) (ethanol) had the greatest potential influence on the flux and LT, followed by X(1) and X(2). A new formulation was prepared according to the independent levels provided by RSM. The observed responses were in close agreement with the predicted values, demonstrating that RSM could be successfully used to optimize mesomorphic phase formulations.

Testing of Environmental Satellite Bus-Instrument Interfaces Using Engineering Models

NASA Technical Reports Server (NTRS)

Gagnier, Donald; Hayner, Rick; Nosek, Thomas; Roza, Michael; Hendershot, James E.; Razzaghi, Andrea I.

2004-01-01

This paper discusses the formulation and execution of a laboratory test of the electrical interfaces between multiple atmospheric scientific instruments and the spacecraft bus that carries them. The testing, performed in 2002, used engineering models of the instruments and the Aura spacecraft bus electronics. Aura is one of NASA s Earth Observatory System missions. The test was designed to evaluate the complex interfaces in the command and data handling subsystems prior to integration of the complete flight instruments on the spacecraft. A problem discovered during the flight integration phase of the observatory can cause significant cost and schedule impacts. The tests successfully revealed problems and led to their resolution before the full-up integration phase, saving significant cost and schedule. This approach could be beneficial for future environmental satellite programs involving the integration of multiple, complex scientific instruments onto a spacecraft bus.

Analysis of Interferometric Synthetic Aperture Radar Phase Data at Brady Hot Springs, Nevada, USA Using Prior Information

NASA Astrophysics Data System (ADS)

Reinisch, E. C.; Ali, S. T.; Cardiff, M. A.; Morency, C.; Kreemer, C.; Feigl, K. L.; Team, P.

2016-12-01

Time-dependent deformation has been observed at Brady Hot Springs using interferometric synthetic aperture radar (InSAR) [Ali et al. 2016, http://dx.doi.org/10.1016/j.geothermics.2016.01.008]. Our goal is to evaluate multiple competing hypotheses to explain the observed deformation at Brady. To do so requires statistical tests that account for uncertainty. Graph theory is useful for such an analysis of InSAR data [Reinisch, et al. 2016, http://dx.doi.org/10.1007/s00190-016-0934-5]. In particular, the normalized edge Laplacian matrix calculated from the edge-vertex incidence matrix of the graph of the pair-wise data set represents its correlation and leads to a full data covariance matrix in the weighted least squares problem. This formulation also leads to the covariance matrix of the epoch-wise measurements, representing their relative uncertainties. While the formulation in terms of incidence graphs applies to any quantity derived from pair-wise differences, the modulo-2π ambiguity of wrapped phase renders the problem non-linear. The conventional practice is to unwrap InSAR phase before modeling, which can introduce mistakes without increasing the corresponding measurement uncertainty. To address this issue, we are applying Bayesian inference. To build the likelihood, we use three different observables: (a) wrapped phase [e.g., Feigl and Thurber 2009, http://dx.doi.org/10.1111/j.1365-246X.2008.03881.x]; (b) range gradients, as defined by Ali and Feigl [2012, http://dx.doi.org/10.1029/2012GC004112]; and (c) unwrapped phase, i.e. range change in mm, which we validate using GPS data. We apply our method to InSAR data taken over Brady Hot Springs geothermal field in Nevada as part of a project entitled "Poroelastic Tomography by Adjoint Inverse Modeling of Data from Seismology, Geodesy, and Hydrology" (PoroTomo) [ http://geoscience.wisc.edu/feigl/porotomo].

Multicasting for all-optical multifiber networks

NASA Astrophysics Data System (ADS)

Kã¶Ksal, Fatih; Ersoy, Cem

2007-02-01

All-optical wavelength-routed WDM WANs can support the high bandwidth and the long session duration requirements of the application scenarios such as interactive distance learning or on-line diagnosis of patients simultaneously in different hospitals. However, multifiber and limited sparse light splitting and wavelength conversion capabilities of switches result in a difficult optimization problem. We attack this problem using a layered graph model. The problem is defined as a k-edge-disjoint degree-constrained Steiner tree problem for routing and fiber and wavelength assignment of k multicasts. A mixed integer linear programming formulation for the problem is given, and a solution using CPLEX is provided. However, the complexity of the problem grows quickly with respect to the number of edges in the layered graph, which depends on the number of nodes, fibers, wavelengths, and multicast sessions. Hence, we propose two heuristics layered all-optical multicast algorithm [(LAMA) and conservative fiber and wavelength assignment (C-FWA)] to compare with CPLEX, existing work, and unicasting. Extensive computational experiments show that LAMA's performance is very close to CPLEX, and it is significantly better than existing work and C-FWA for nearly all metrics, since LAMA jointly optimizes routing and fiber-wavelength assignment phases compared with the other candidates, which attack the problem by decomposing two phases. Experiments also show that important metrics (e.g., session and group blocking probability, transmitter wavelength, and fiber conversion resources) are adversely affected by the separation of two phases. Finally, the fiber-wavelength assignment strategy of C-FWA (Ex-Fit) uses wavelength and fiber conversion resources more effectively than the First Fit.

Geometrizing adiabatic quantum computation

NASA Astrophysics Data System (ADS)

Rezakhani, Ali; Kuo, Wan-Jung; Hamma, Alioscia; Lidar, Daniel; Zanardi, Paolo

2010-03-01

A time-optimal approach to adiabatic quantum computation (AQC) is formulated. The corresponding natural Riemannian metric is also derived, through which AQC can be understood as the problem of finding a geodesic on the manifold of control parameters. We demonstrate this geometrization through some examples, where we show that it leads to improved performance of AQC, and sheds light on the roles of entanglement and curvature of the control manifold in algorithmic performance. The underlying connection with quantum phase transitions is also explored.

Propagation of Wide Bandwidth Signals through Strongly Turbulent Ionized Media

DTIC Science & Technology

1982-03-15

through random ionized media. This work is applicable to the problems of satel- lite communication and space based radar observation through a disturbed...REALIZATIONS 87 3.2 FORMULATION 88 3.2.1 Wide Bandwidth Signals 91 3.2.2 Total Phase Shift, Time Delay, and Doppler Frequency 95 3.2.3 Impulse Response...scattering limit. The 20 Gaussian form corresponds to pulse wander and dispersion while the expo- nential form corresponds to diffractive pulse spreading

A framework and case studies for evaluation of enzyme ontogeny in children's health risk evaluation.

PubMed

Ginsberg, Gary; Vulimiri, Suryanarayana V; Lin, Yu-Sheng; Kancherla, Jayaram; Foos, Brenda; Sonawane, Babasaheb

2017-01-01

Knowledge of the ontogeny of Phase I and Phase II metabolizing enzymes may be used to inform children's vulnerability based upon likely differences in internal dose from xenobiotic exposure. This might provide a qualitative assessment of toxicokinetic (TK) variability and uncertainty pertinent to early lifestages and help scope a more quantitative physiologically based toxicokinetic (PBTK) assessment. Although much is known regarding the ontogeny of metabolizing systems, this is not commonly utilized in scoping and problem formulation stage of human health risk evaluation. A framework is proposed for introducing this information into problem formulation which combines data on enzyme ontogeny and chemical-specific TK to explore potential child/adult differences in internal dose and whether such metabolic differences may be important factors in risk evaluation. The framework is illustrated with five case study chemicals, including some which are data rich and provide proof of concept, while others are data poor. Case studies for toluene and chlorpyrifos indicate potentially important child/adult TK differences while scoping for acetaminophen suggests enzyme ontogeny is unlikely to increase early-life risks. Scoping for trichloroethylene and aromatic amines indicates numerous ways that enzyme ontogeny may affect internal dose which necessitates further evaluation. PBTK modeling is a critical and feasible next step to further evaluate child-adult differences in internal dose for a number of these chemicals.

Phase-space evolution of x-ray coherence in phase-sensitive imaging.

PubMed

Wu, Xizeng; Liu, Hong

2008-08-01

X-ray coherence evolution in the imaging process plays a key role for x-ray phase-sensitive imaging. In this work we present a phase-space formulation for the phase-sensitive imaging. The theory is reformulated in terms of the cross-spectral density and associated Wigner distribution. The phase-space formulation enables an explicit and quantitative account of partial coherence effects on phase-sensitive imaging. The presented formulas for x-ray spectral density at the detector can be used for performing accurate phase retrieval and optimizing the phase-contrast visibility. The concept of phase-space shearing length derived from this phase-space formulation clarifies the spatial coherence requirement for phase-sensitive imaging with incoherent sources. The theory has been applied to x-ray Talbot interferometric imaging as well. The peak coherence condition derived reveals new insights into three-grating-based Talbot-interferometric imaging and gratings-based x-ray dark-field imaging.

Completed Beltrami-Michell Formulation for Analyzing Radially Symmetrical Bodies

NASA Technical Reports Server (NTRS)

Kaljevic, Igor; Saigal, Sunil; Hopkins, Dale A.; Patnaik, Surya N.

1994-01-01

A force method formulation, the completed Beltrami-Michell formulation (CBMF), has been developed for analyzing boundary value problems in elastic continua. The CBMF is obtained by augmenting the classical Beltrami-Michell formulation with novel boundary compatibility conditions. It can analyze general elastic continua with stress, displacement, or mixed boundary conditions. The CBMF alleviates the limitations of the classical formulation, which can solve stress boundary value problems only. In this report, the CBMF is specialized for plates and shells. All equations of the CBMF, including the boundary compatibility conditions, are derived from the variational formulation of the integrated force method (IFM). These equations are defined only in terms of stresses. Their solution for kinematically stable elastic continua provides stress fields without any reference to displacements. In addition, a stress function formulation for plates and shells is developed by augmenting the classical Airy's formulation with boundary compatibility conditions expressed in terms of the stress function. The versatility of the CBMF and the augmented stress function formulation is demonstrated through analytical solutions of several mixed boundary value problems. The example problems include a composite circular plate and a composite circular cylindrical shell under the simultaneous actions of mechanical and thermal loads.

Application of a biphasic test for characterization of in vitro drug release of immediate release formulations of celecoxib and its relevance to in vivo absorption.

PubMed

Shi, Yi; Gao, Ping; Gong, Yuchuan; Ping, Haili

2010-10-04

A biphasic in vitro test method was used to examine release profiles of a poorly soluble model drug, celecoxib (CEB), from its immediate release formulations. Three formulations of CEB were investigated in this study, including a commercial Celebrex capsule, a solution formulation (containing cosolvent and surfactant) and a supersaturatable self-emulsifying drug delivery system (S-SEDDS). The biphasic test system consisted of an aqueous buffer and a water-immiscible organic solvent (e.g., octanol) with the use of both USP II and IV apparatuses. The aqueous phase provided a nonsink dissolution medium for CEB, while the octanol phase acted as a sink for CEB partitioning. For comparison, CEB concentration-time profiles of these formulations in the aqueous medium under either a sink condition or a nonsink condition were also explored. CEB release profiles of these formulations observed in the aqueous medium from either the sink condition test, the nonsink condition test, or the biphasic test have little relevance to the pharmacokinetic observations (e.g., AUC, C(max)) in human subjects. In contrast, a rank order correlation among the three CEB formulations is obtained between the in vitro AUC values of CEB from the octanol phase up to t = 2 h and the in vivo mean AUC (or C(max)) values. As the biphasic test permits a rapid removal of drug from the aqueous phase by partitioning into the organic phase, the amount of drug in the organic phase represents the amount of drug accumulated in systemic circulation in vivo. This hypothesis provides the scientific rationale for the rank order relationship among these CEB formulations between their CEB concentrations in the organic phase and the relative AUC or C(max). In addition, the biphasic test method permits differentiation and discrimination of key attributes among the three different CEB formulations. This work demonstrates that the biphasic in vitro test method appears to be useful as a tool in evaluating performance of formulations of poorly water-soluble drugs and to provide potential for establishing an in vitro-in vivo relationship.

Transdermal delivery of diclofenac using water-in-oil microemulsion: formulation and mechanistic approach of drug skin permeation.

PubMed

Thakkar, Priyanka J; Madan, Parshotam; Lin, Senshang

2014-05-01

The objective of the present investigation was to enhance skin permeation of diclofenac using water-in-oil microemulsion and to elucidate its skin permeation mechanism. The w/o microemulsion formulations were selected based on constructed pseudoternary phase diagrams depending on water solubilization capacity and thermodynamic stability. These formulations were also subjected to physical characterization based on droplet size, viscosity, pH and conductivity. Permeation of diclofenac across rat skin using side-by-side permeation cells from selected w/o microemulsion formulations were evaluated and compared with control formulations. The selected w/o microemulsion formulations were thermodynamically stable, and incorporation of diclofenac sodium into microemulsion did not affect the phase behavior of system. All microemulsion formulations had very low viscosity (11-17 cps) and droplet size range of 30-160 nm. Microemulsion formulations exhibited statistically significant increase in diclofenac permeation compared to oily solution, aqueous solution and oil-Smix solution. Higher skin permeation of diclofenac was observed with low Smix concentration and smaller droplet size. Increase in diclofenac loading in aqueous phase decreased the partition of diclofenac. Diclofenac from the oil phase of microemulsion could directly partition into skin, while diclofenac from the aqueous droplets was carried through skin by carrier effect.

A novel multireceiver communications system configuration based on optimal estimation theory

NASA Technical Reports Server (NTRS)

Kumar, R.

1990-01-01

A multireceiver configuration for the purpose of carrier arraying and/or signal arraying is presented. Such a problem arises for example, in the NASA Deep Space Network where the same data-modulated signal from a spacecraft is received by a number of geographically separated antennas and the data detection must be efficiently performed on the basis of the various received signals. The proposed configuration is arrived at by formulating the carrier and/or signal arraying problem as an optimal estimation problem. Two specific solutions are proposed. The first solution is to simultaneously and optimally estimate the various phase processes received at different receivers with coupled phase locked loops (PLLs) wherein the individual PLLs acquire and track their respective receivers' phase processes, but are aided by each other in an optimal manner. However, when the phase processes are relatively weakly correlated, and for the case of relatively high values of symbol energy-to-noise spectral density ratio, a novel configuration for combining the data modulated, loop-output signals is proposed. The scheme can be extended to the case of low symbol energy-to-noise case by performing the combining/detection process over a multisymbol period. Such a configuration results in the minimization of the effective radio loss at the combiner output, and thus a maximization of energy per bit to noise-power spectral density ration is achieved.

A Local Condensation Analysis Representing Two-phase Annular Flow in Condenser/radiator Capillary Tubes

NASA Technical Reports Server (NTRS)

Karimi, Amir

1991-01-01

NASA's effort for the thermal environmental control of the Space Station Freedom is directed towards the design, analysis, and development of an Active Thermal Control System (ATCS). A two phase, flow through condenser/radiator concept was baselined, as a part of the ATCS, for the radiation of space station thermal load into space. The proposed condenser rejects heat through direct condensation of ATCS working fluid (ammonia) in the small diameter radiator tubes. Analysis of the condensation process and design of condenser tubes are based on the available two phase flow models for the prediction of flow regimes, heat transfer, and pressure drops. The prediction formulas use the existing empirical relationships of friction factor at gas-liquid interface. An attempt is made to study the stability of interfacial waves in two phase annular flow. The formulation is presented of a stability problem in cylindrical coordinates. The contribution of fluid viscosity, surface tension, and transverse radius of curvature to the interfacial surface is included. A solution is obtained for Kelvin-Helmholtz instability problem which can be used to determine the critical and most dangerous wavelengths for interfacial waves.

Finite-element simulation of ceramic drying processes

NASA Astrophysics Data System (ADS)

Keum, Y. T.; Jeong, J. H.; Auh, K. H.

2000-07-01

A finite-element simulation for the drying process of ceramics is performed. The heat and moisture movements in green ceramics caused by the temperature gradient, moisture gradient, conduction, convection and evaporation are considered. The finite-element formulation for solving the temperature and moisture distributions, which not only change the volume but also induce the hygro-thermal stress, is carried out. Employing the internally discontinuous interface elements, the numerical divergence problem arising from sudden changes in heat capacity in the phase zone is solved. In order to verify the reliability of the formulation, the drying process of a coal and the wetting process of a graphite epoxy are simulated and the results are compared with the analytical solution and another investigator's result. Finally, the drying process of a ceramic electric insulator is simulated.

Numerical investigation of shock induced bubble collapse in water

NASA Astrophysics Data System (ADS)

Apazidis, N.

2016-04-01

A semi-conservative, stable, interphase-capturing numerical scheme for shock propagation in heterogeneous systems is applied to the problem of shock propagation in liquid-gas systems. The scheme is based on the volume-fraction formulation of the equations of motion for liquid and gas phases with separate equations of state. The semi-conservative formulation of the governing equations ensures the absence of spurious pressure oscillations at the material interphases between liquid and gas. Interaction of a planar shock in water with a single spherical bubble as well as twin adjacent bubbles is investigated. Several stages of the interaction process are considered, including focusing of the transmitted shock within the deformed bubble, creation of a water-hammer shock as well as generation of high-speed liquid jet in the later stages of the process.

Cohesive phase-field fracture and a PDE constrained optimization approach to fracture inverse problems

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

Tupek, Michael R.

2016-06-30

In recent years there has been a proliferation of modeling techniques for forward predictions of crack propagation in brittle materials, including: phase-field/gradient damage models, peridynamics, cohesive-zone models, and G/XFEM enrichment techniques. However, progress on the corresponding inverse problems has been relatively lacking. Taking advantage of key features of existing modeling approaches, we propose a parabolic regularization of Barenblatt cohesive models which borrows extensively from previous phase-field and gradient damage formulations. An efficient explicit time integration strategy for this type of nonlocal fracture model is then proposed and justified. In addition, we present a C++ computational framework for computing in- putmore » parameter sensitivities efficiently for explicit dynamic problems using the adjoint method. This capability allows for solving inverse problems involving crack propagation to answer interesting engineering questions such as: 1) what is the optimal design topology and material placement for a heterogeneous structure to maximize fracture resistance, 2) what loads must have been applied to a structure for it to have failed in an observed way, 3) what are the existing cracks in a structure given various experimental observations, etc. In this work, we focus on the first of these engineering questions and demonstrate a capability to automatically and efficiently compute optimal designs intended to minimize crack propagation in structures.« less

Phase II and III Clinical Studies of Diphtheria-Tetanus-Acellular Pertussis Vaccine Containing Inactivated Polio Vaccine Derived from Sabin Strains (DTaP-sIPV).

PubMed

Okada, Kenji; Miyazaki, Chiaki; Kino, Yoichiro; Ozaki, Takao; Hirose, Mizuo; Ueda, Kohji

2013-07-15

Phase II and III clinical studies were conducted to evaluate immunogenicity and safety of a novel DTaP-IPV vaccine consisting of Sabin inactivated poliovirus vaccine (sIPV) and diphtheria-tetanus-acellular pertussis vaccine (DTaP). A Phase II study was conducted in 104 healthy infants using Formulation H of the DTaP-sIPV vaccine containing high-dose sIPV (3, 100, and 100 D-antigen units for types 1, 2, and 3, respectively), and Formulations M and L, containing half and one-fourth of the sIPV in Formulation H, respectively. Each formulation was administered 3 times for primary immunization and once for booster immunization. A Phase III study was conducted in 342 healthy infants who received either Formulation M + oral polio vaccine (OPV) placebo or DTaP + OPV. The OPV or OPV placebo was orally administered twice between primary and booster immunizations. Formulation M was selected as the optimum dose. In the Phase III study, the seropositive rate was 100% for all Sabin strains after primary immunization, and the neutralizing antibody titer after booster immunization was higher than in the control group (DTaP + OPV). All adverse reactions were clinically acceptable. DTaP-sIPV was shown to be a safe and immunogenic vaccine. JapicCTI-121902 for Phase II study, JapicCTI-101075 for Phase III study (http://www.clinicaltrials.jp/user/cte_main.jsp).

HIA, the next step: Defining models and roles

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

Putters, Kim

If HIA is to be an effective instrument for optimising health interests in the policy making process it has to recognise the different contests in which policy is made and the relevance of both technical rationality and political rationality. Policy making may adopt a rational perspective in which there is a systematic and orderly progression from problem formulation to solution or a network perspective in which there are multiple interdependencies, extensive negotiation and compromise, and the steps from problem to formulation are not followed sequentially or in any particular order. Policy problems may be simple with clear causal pathways andmore » responsibilities or complex with unclear causal pathways and disputed responsibilities. Network analysis is required to show which stakeholders are involved, their support for health issues and the degree of consensus. From this analysis three models of HIA emerge. The first is the phases model which is fitted to simple problems and a rational perspective of policymaking. This model involves following structured steps. The second model is the rounds (Echternach) model that is fitted to complex problems and a network perspective of policymaking. This model is dynamic and concentrates on network solutions taking these steps in no particular order. The final model is the 'garbage can' model fitted to contexts which combine simple and complex problems. In this model HIA functions as a problem solver and signpost keeping all possible solutions and stakeholders in play and allowing solutions to emerge over time. HIA models should be the beginning rather than the conclusion of discussion the worlds of HIA and policymaking.« less

Problem formulation in the environmental risk assessment for genetically modified plants

PubMed Central

Wolt, Jeffrey D.; Keese, Paul; Raybould, Alan; Burachik, Moisés; Gray, Alan; Olin, Stephen S.; Schiemann, Joachim; Sears, Mark; Wu, Felicia

2009-01-01

Problem formulation is the first step in environmental risk assessment (ERA) where policy goals, scope, assessment endpoints, and methodology are distilled to an explicitly stated problem and approach for analysis. The consistency and utility of ERAs for genetically modified (GM) plants can be improved through rigorous problem formulation (PF), producing an analysis plan that describes relevant exposure scenarios and the potential consequences of these scenarios. A properly executed PF assures the relevance of ERA outcomes for decision-making. Adopting a harmonized approach to problem formulation should bring about greater uniformity in the ERA process for GM plants among regulatory regimes globally. This paper is the product of an international expert group convened by the International Life Sciences Institute (ILSI) Research Foundation. PMID:19757133

Topographic profiling and refractive-index analysis by use of differential interference contrast with bright-field intensity and atomic force imaging.

PubMed

Axelrod, Noel; Radko, Anna; Lewis, Aaron; Ben-Yosef, Nissim

2004-04-10

A methodology is described for phase restoration of an object function from differential interference contrast (DIC) images. The methodology involves collecting a set of DIC images in the same plane with different bias retardation between the two illuminating light components produced by a Wollaston prism. These images, together with one conventional bright-field image, allows for reduction of the phase deconvolution restoration problem from a highly complex nonlinear mathematical formulation to a set of linear equations that can be applied to resolve the phase for images with a relatively large number of pixels. Additionally, under certain conditions, an on-line atomic force imaging system that does not interfere with the standard DIC illumination modes resolves uncertainties in large topographical variations that generally lead to a basic problem in DIC imaging, i.e., phase unwrapping. Furthermore, the availability of confocal detection allows for a three-dimensional reconstruction with high accuracy of the refractive-index measurement of the object that is to be imaged. This has been applied to reconstruction of the refractive index of an arrayed waveguide in a region in which a defect in the sample is present. The results of this paper highlight the synergism of far-field microscopies integrated with scanned probe microscopies and restoration algorithms for phase reconstruction.

A Finite Element Method for Simulation of Compressible Cavitating Flows

NASA Astrophysics Data System (ADS)

Shams, Ehsan; Yang, Fan; Zhang, Yu; Sahni, Onkar; Shephard, Mark; Oberai, Assad

2016-11-01

This work focuses on a novel approach for finite element simulations of multi-phase flows which involve evolving interface with phase change. Modeling problems, such as cavitation, requires addressing multiple challenges, including compressibility of the vapor phase, interface physics caused by mass, momentum and energy fluxes. We have developed a mathematically consistent and robust computational approach to address these problems. We use stabilized finite element methods on unstructured meshes to solve for the compressible Navier-Stokes equations. Arbitrary Lagrangian-Eulerian formulation is used to handle the interface motions. Our method uses a mesh adaptation strategy to preserve the quality of the volumetric mesh, while the interface mesh moves along with the interface. The interface jump conditions are accurately represented using a discontinuous Galerkin method on the conservation laws. Condensation and evaporation rates at the interface are thermodynamically modeled to determine the interface velocity. We will present initial results on bubble cavitation the behavior of an attached cavitation zone in a separated boundary layer. We acknowledge the support from Army Research Office (ARO) under ARO Grant W911NF-14-1-0301.

Multiphase flow and transport in porous media

NASA Astrophysics Data System (ADS)

Parker, J. C.

1989-08-01

Multiphase flow and transport of compositionally complex fluids in geologic media is of importance in a number of applied problems which have major social and economic effects. In petroleum reservoir engineering, efficient recovery of energy reserves is the principal goal. Unfortunately, some of these hydrocarbons and other organic chemicals often find their way unwanted into the soils and groundwater supplies. Removal in the latter case is predicated on ensuring the public health and safety. In this paper, principles of modeling fluid flow in systems containing up to three fluid phases (namely, water, air, and organic liquid) are described. Solution of the governing equations for multiphase flow requires knowledge of functional relationships between fluid pressures, saturations, and permeabilities which may be formulated on the basis of conceptual models of fluid-porous media interactions. Mechanisms of transport in multicomponent multiphase systems in which species may partition between phases are also described, and the governing equations are presented for the case in which local phase equilibrium may be assumed. A number of hypothetical numerical problems are presented to illustrate the physical behavior of systems in which multiphase flow and transport arise.

Coupling fluid-structure interaction with phase-field fracture

NASA Astrophysics Data System (ADS)

Wick, Thomas

2016-12-01

In this work, a concept for coupling fluid-structure interaction with brittle fracture in elasticity is proposed. The fluid-structure interaction problem is modeled in terms of the arbitrary Lagrangian-Eulerian technique and couples the isothermal, incompressible Navier-Stokes equations with nonlinear elastodynamics using the Saint-Venant Kirchhoff solid model. The brittle fracture model is based on a phase-field approach for cracks in elasticity and pressurized elastic solids. In order to derive a common framework, the phase-field approach is re-formulated in Lagrangian coordinates to combine it with fluid-structure interaction. A crack irreversibility condition, that is mathematically characterized as an inequality constraint in time, is enforced with the help of an augmented Lagrangian iteration. The resulting problem is highly nonlinear and solved with a modified Newton method (e.g., error-oriented) that specifically allows for a temporary increase of the residuals. The proposed framework is substantiated with several numerical tests. In these examples, computational stability in space and time is shown for several goal functionals, which demonstrates reliability of numerical modeling and algorithmic techniques. But also current limitations such as the necessity of using solid damping are addressed.

Completed Beltrami-Michell formulation for analyzing mixed boundary value problems in elasticity

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Kaljevic, Igor; Hopkins, Dale A.; Saigal, Sunil

1995-01-01

In elasticity, the method of forces, wherein stress parameters are considered as the primary unknowns, is known as the Beltrami-Michell formulation (BMF). The existing BMF can only solve stress boundary value problems; it cannot handle the more prevalent displacement of mixed boundary value problems of elasticity. Therefore, this formulation, which has restricted application, could not become a true alternative to the Navier's displacement method, which can solve all three types of boundary value problems. The restrictions in the BMF have been alleviated by augmenting the classical formulation with a novel set of conditions identified as the boundary compatibility conditions. This new method, which completes the classical force formulation, has been termed the completed Beltrami-Michell formulation (CBMF). The CBMF can solve general elasticity problems with stress, displacement, and mixed boundary conditions in terms of stresses as the primary unknowns. The CBMF is derived from the stationary condition of the variational functional of the integrated force method. In the CBMF, stresses for kinematically stable structures can be obtained without any reference to the displacements either in the field or on the boundary. This paper presents the CBMF and its derivation from the variational functional of the integrated force method. Several examples are presented to demonstrate the applicability of the completed formulation for analyzing mixed boundary value problems under thermomechanical loads. Selected example problems include a cylindrical shell wherein membrane and bending responses are coupled, and a composite circular plate.

Pharmaceutical Perspective on Opalescence and Liquid-Liquid Phase Separation in Protein Solutions.

PubMed

Raut, Ashlesha S; Kalonia, Devendra S

2016-05-02

Opalescence in protein solutions reduces aesthetic appeal of a formulation and can be an indicator of the presence of aggregates or precursor to phase separation in solution signifying reduced product stability. Liquid-liquid phase separation of a protein solution into a protein-rich and a protein-poor phase has been well-documented for globular proteins and recently observed for monoclonal antibody solutions, resulting in physical instability of the formulation. The present review discusses opalescence and liquid-liquid phase separation (LLPS) for therapeutic protein formulations. A brief discussion on theoretical concepts based on thermodynamics, kinetics, and light scattering is presented. This review also discusses theoretical concepts behind intense light scattering in the vicinity of the critical point termed as "critical opalescence". Both opalescence and LLPS are affected by the formulation factors including pH, ionic strength, protein concentration, temperature, and excipients. Literature reports for the effect of these formulation factors on attractive protein-protein interactions in solution as assessed by the second virial coefficient (B2) and the cloud-point temperature (Tcloud) measurements are also presented. The review also highlights pharmaceutical implications of LLPS in protein solutions.

Sparsity-driven coupled imaging and autofocusing for interferometric SAR

NASA Astrophysics Data System (ADS)

Zengin, Oǧuzcan; Khwaja, Ahmed Shaharyar; ćetin, Müjdat

2018-04-01

We propose a sparsity-driven method for coupled image formation and autofocusing based on multi-channel data collected in interferometric synthetic aperture radar (IfSAR). Relative phase between SAR images contains valuable information. For example, it can be used to estimate the height of the scene in SAR interferometry. However, this relative phase could be degraded when independent enhancement methods are used over SAR image pairs. Previously, Ramakrishnan et al. proposed a coupled multi-channel image enhancement technique, based on a dual descent method, which exhibits better performance in phase preservation compared to independent enhancement methods. Their work involves a coupled optimization formulation that uses a sparsity enforcing penalty term as well as a constraint tying the multichannel images together to preserve the cross-channel information. In addition to independent enhancement, the relative phase between the acquisitions can be degraded due to other factors as well, such as platform location uncertainties, leading to phase errors in the data and defocusing in the formed imagery. The performance of airborne SAR systems can be affected severely by such errors. We propose an optimization formulation that combines Ramakrishnan et al.'s coupled IfSAR enhancement method with the sparsity-driven autofocus (SDA) approach of Önhon and Çetin to alleviate the effects of phase errors due to motion errors in the context of IfSAR imaging. Our method solves the joint optimization problem with a Lagrangian optimization method iteratively. In our preliminary experimental analysis, we have obtained results of our method on synthetic SAR images and compared its performance to existing methods.

Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model

NASA Astrophysics Data System (ADS)

Salvalaglio, Marco; Backofen, Rainer; Voigt, Axel; Elder, Ken R.

2017-08-01

One of the major difficulties in employing phase-field crystal (PFC) modeling and the associated amplitude (APFC) formulation is the ability to tune model parameters to match experimental quantities. In this work, we address the problem of tuning the defect core and interface energies in the APFC formulation. We show that the addition of a single term to the free-energy functional can be used to increase the solid-liquid interface and defect energies in a well-controlled fashion, without any major change to other features. The influence of the newly added term is explored in two-dimensional triangular and honeycomb structures as well as bcc and fcc lattices in three dimensions. In addition, a finite-element method (FEM) is developed for the model that incorporates a mesh refinement scheme. The combination of the FEM and mesh refinement to simulate amplitude expansion with a new energy term provides a method of controlling microscopic features such as defect and interface energies while simultaneously delivering a coarse-grained examination of the system.

Analytic Formulation and Numerical Implementation of an Acoustic Pressure Gradient Prediction

NASA Technical Reports Server (NTRS)

Lee, Seongkyu; Brentner, Kenneth S.; Farassat, F.; Morris, Philip J.

2008-01-01

Two new analytical formulations of the acoustic pressure gradient have been developed and implemented in the PSU-WOPWOP rotor noise prediction code. The pressure gradient can be used to solve the boundary condition for scattering problems and it is a key aspect to solve acoustic scattering problems. The first formulation is derived from the gradient of the Ffowcs Williams-Hawkings (FW-H) equation. This formulation has a form involving the observer time differentiation outside the integrals. In the second formulation, the time differentiation is taken inside the integrals analytically. This formulation avoids the numerical time differentiation with respect to the observer time, which is computationally more efficient. The acoustic pressure gradient predicted by these new formulations is validated through comparison with available exact solutions for a stationary and moving monopole sources. The agreement between the predictions and exact solutions is excellent. The formulations are applied to the rotor noise problems for two model rotors. A purely numerical approach is compared with the analytical formulations. The agreement between the analytical formulations and the numerical method is excellent for both stationary and moving observer cases.

A new formulation for anisotropic radiative transfer problems. I - Solution with a variational technique

NASA Technical Reports Server (NTRS)

Cheyney, H., III; Arking, A.

1976-01-01

The equations of radiative transfer in anisotropically scattering media are reformulated as linear operator equations in a single independent variable. The resulting equations are suitable for solution by a variety of standard mathematical techniques. The operators appearing in the resulting equations are in general nonsymmetric; however, it is shown that every bounded linear operator equation can be embedded in a symmetric linear operator equation and a variational solution can be obtained in a straightforward way. For purposes of demonstration, a Rayleigh-Ritz variational method is applied to three problems involving simple phase functions. It is to be noted that the variational technique demonstrated is of general applicability and permits simple solutions for a wide range of otherwise difficult mathematical problems in physics.

Optimal perturbations for nonlinear systems using graph-based optimal transport

NASA Astrophysics Data System (ADS)

Grover, Piyush; Elamvazhuthi, Karthik

2018-06-01

We formulate and solve a class of finite-time transport and mixing problems in the set-oriented framework. The aim is to obtain optimal discrete-time perturbations in nonlinear dynamical systems to transport a specified initial measure on the phase space to a final measure in finite time. The measure is propagated under system dynamics in between the perturbations via the associated transfer operator. Each perturbation is described by a deterministic map in the measure space that implements a version of Monge-Kantorovich optimal transport with quadratic cost. Hence, the optimal solution minimizes a sum of quadratic costs on phase space transport due to the perturbations applied at specified times. The action of the transport map is approximated by a continuous pseudo-time flow on a graph, resulting in a tractable convex optimization problem. This problem is solved via state-of-the-art solvers to global optimality. We apply this algorithm to a problem of transport between measures supported on two disjoint almost-invariant sets in a chaotic fluid system, and to a finite-time optimal mixing problem by choosing the final measure to be uniform. In both cases, the optimal perturbations are found to exploit the phase space structures, such as lobe dynamics, leading to efficient global transport. As the time-horizon of the problem is increased, the optimal perturbations become increasingly localized. Hence, by combining the transfer operator approach with ideas from the theory of optimal mass transportation, we obtain a discrete-time graph-based algorithm for optimal transport and mixing in nonlinear systems.

Real time groove characterization combining partial least squares and SVR strategies: application to eddy current testing

NASA Astrophysics Data System (ADS)

Ahmed, S.; Salucci, M.; Miorelli, R.; Anselmi, N.; Oliveri, G.; Calmon, P.; Reboud, C.; Massa, A.

2017-10-01

A quasi real-time inversion strategy is presented for groove characterization of a conductive non-ferromagnetic tube structure by exploiting eddy current testing (ECT) signal. Inversion problem has been formulated by non-iterative Learning-by-Examples (LBE) strategy. Within the framework of LBE, an efficient training strategy has been adopted with the combination of feature extraction and a customized version of output space filling (OSF) adaptive sampling in order to get optimal training set during offline phase. Partial Least Squares (PLS) and Support Vector Regression (SVR) have been exploited for feature extraction and prediction technique respectively to have robust and accurate real time inversion during online phase.

Parachute dynamics and stability analysis. [using nonlinear differential equations of motion

NASA Technical Reports Server (NTRS)

Ibrahim, S. K.; Engdahl, R. A.

1974-01-01

The nonlinear differential equations of motion for a general parachute-riser-payload system are developed. The resulting math model is then applied for analyzing the descent dynamics and stability characteristics of both the drogue stabilization phase and the main descent phase of the space shuttle solid rocket booster (SRB) recovery system. The formulation of the problem is characterized by a minimum number of simplifying assumptions and full application of state-of-the-art parachute technology. The parachute suspension lines and the parachute risers can be modeled as elastic elements, and the whole system may be subjected to specified wind and gust profiles in order to assess their effects on the stability of the recovery system.

Treatment of pityriasis versicolor with topical application of essential oil of Cymbopogon citratus (DC) Stapf - therapeutic pilot study*

PubMed Central

Carmo, Egberto Santos; Pereira, Fillipe de Oliveira; Cavalcante, Neuza Maria; Gayoso, Carla Wanderley; Lima, Edeltrudes de Oliveira

2013-01-01

BACKGROUND Pityriasis versicolor is a fungal infection caused by Malassezia spp. that has frequent relapses. OBJECTIVES The main objective of this research was to perform phase I and II clinical studies, using formulations containing essential oil of Cymbopogon citratus in patients with pityriasis versicolor. METHODS Phase I study included twenty volunteers to ascertain the safety of the formulations. In phase II, 47 volunteers randomly received essential oil formulations at 1.25 μL/mL concentration, for forty days. The shampoo should be applied three times a week and the cream twice a day. A control group in phase II, consisting of 29 volunteers, received the same formulations but with 2% ketoconazole as the active ingredient. RESULTS No significant adverse events were observed in volunteers during Phase I. In Phase II, 30 (63.83%) volunteers using essential oil and 18 (62.07%) using ketoconazole remained until the end of the study. We observed a predominance of lesions in disseminated form, with M. sympodialis detected as the predominant agent identified in cultures. After 40 days of treatment, the rate of mycological cure was 60% (p <0.05) for the group treated with essential oil of C. citratus and over 80% (p <0.05) for the group treated with ketoconazole formulations. CONCLUSIONS Notwithstanding the safety and antifungal effects observed in this study after application of formulations containing the essential oil of C. citratus, further studies with larger populations should be performed to confirm the actual potential of these formulations in the treatment of patients with Pityriasis versicolor. PMID:23793205

The initial value problem in Lagrangian drift kinetic theory

NASA Astrophysics Data System (ADS)

Burby, J. W.

2016-06-01

> Existing high-order variational drift kinetic theories contain unphysical rapidly varying modes that are not seen at low orders. These unphysical modes, which may be rapidly oscillating, damped or growing, are ushered in by a failure of conventional high-order drift kinetic theory to preserve the structure of its parent model's initial value problem. In short, the (infinite dimensional) system phase space is unphysically enlarged in conventional high-order variational drift kinetic theory. I present an alternative, `renormalized' variational approach to drift kinetic theory that manifestly respects the parent model's initial value problem. The basic philosophy underlying this alternate approach is that high-order drift kinetic theory ought to be derived by truncating the all-orders system phase-space Lagrangian instead of the usual `field particle' Lagrangian. For the sake of clarity, this story is told first through the lens of a finite-dimensional toy model of high-order variational drift kinetics; the analogous full-on drift kinetic story is discussed subsequently. The renormalized drift kinetic system, while variational and just as formally accurate as conventional formulations, does not support the troublesome rapidly varying modes.

Locating an imaging radar in Canada for identifying spaceborne objects

NASA Astrophysics Data System (ADS)

Schick, William G.

1992-12-01

This research presents a study of the maximal coverage p-median facility location problem as applied to the location of an imaging radar in Canada for imaging spaceborne objects. The classical mathematical formulation of the maximal coverage p-median problem is converted into network-flow with side constraint formulations that are developed using a scaled down version of the imaging radar location problem. Two types of network-flow with side constraint formulations are developed: a network using side constraints that simulates the gains in a generalized network; and a network resembling a multi-commodity flow problem that uses side constraints to force flow along identical arcs. These small formulations are expanded to encompass a case study using 12 candidate radar sites, and 48 satellites divided into three states. SAS/OR PROC NETFLOW was used to solve the network-flow with side constraint formulations. The case study show that potential for both formulations, although the simulated gains formulation encountered singular matrix computational difficulties as a result of the very organized nature of its side constraint matrix. The multi-commodity flow formulation, when combined with equi-distribution of flow constraints, provided solutions for various values of p, the number of facilities to be selected.

[Principles and Methods for Formulating National Standards of "Regulations of Acupuncture-nee- dle Manipulating techniques"].

PubMed

Gang, Wei-juan; Wang, Xin; Wang, Fang; Dong, Guo-feng; Wu, Xiao-dong

2015-08-01

The national standard of "Regulations of Acupuncture-needle Manipulating Techniques" is one of the national Criteria of Acupuncturology for which a total of 22 items have been already established. In the process of formulation, a series of common and specific problems have been met. In the present paper, the authors expound these problems from 3 aspects, namely principles for formulation, methods for formulating criteria, and considerations about some problems. The formulating principles include selection and regulations of principles for technique classification and technique-related key factors. The main methods for formulating criteria are 1) taking the literature as the theoretical foundation, 2) taking the clinical practice as the supporting evidence, and 3) taking the expounded suggestions or conclusions through peer review.

Liquid based formulations of bacteriophages for the management of waterborne bacterial pathogens in water microcosms.

PubMed

Ahiwale, Sangeeta; Tagunde, Sujata; Khopkar, Sushama; Karni, Mrudula; Gajbhiye, Milind; Kapadnis, Balasaheb

2013-11-01

Water resources are contaminated by life-threatening multidrug resistant pathogenic bacteria. Unfortunately, these pathogenic bacteria do not respond to the traditional water purification methods. Therefore, there is a need of environmentally friendly strategies to overcome the problems associated with the antimicrobial resistant bacterial pathogens. In the present study, highly potent lytic phages against multidrug-resistant Salmonella enterica serovar Paratyphi B, Pseudomonas aeruginosa and Klebsiella pneumoniae were isolated from the Pavana river water. They belonged to the Podoviridae and Siphoviridae families. These phages were purified and enriched in the laboratory. Monovalent formulations of phiSPB, BVPaP-3 and KPP phages were prepared in three different liquids viz., phage broth, saline and distilled water. The phages were stable for almost 8-10 months in the phage broth at 4 degrees C. The stability of the phages in saline and distilled water was 5-6 months at 4 degrees C. All of the phages were stable only for 4-6 months in the phage broth at 30 degrees C. The monovalent phage formulation of psiSPB was applied at MOI < 1, as disinfectant against an exponential and stationary phase cells of Salmonella enterica serovar Paratyphi B in various water microcosms. The results indicated that there was almost 80 % reduction in the log phase cells of Salmonella serovar Paratyphi B in 24 h. In stationary phase cells, the reduction was comparatively less within same period. At the same time, there was concomitant increase in the phage population by 80% in all the microcosms indicating that psiSPB phage is highly potent in killing pathogen in water. Results strongly support that the formulation of psiSPB in the phage broth in monovalent form could be used as an effective biological disinfectant for preventing transmission of water-borne bacterial pathogens, including antimicrobial resistant ones.

Multi-Stage Convex Relaxation Methods for Machine Learning

DTIC Science & Technology

2013-03-01

Many problems in machine learning can be naturally formulated as non-convex optimization problems. However, such direct nonconvex formulations have...original nonconvex formulation. We will develop theoretical properties of this method and algorithmic consequences. Related convex and nonconvex machine learning methods will also be investigated.

PEGylated lipid nanocapsules with improved drug encapsulation and controlled release properties.

PubMed

Hervella, Pablo; Alonso-Sande, Maria; Ledo, Francisco; Lucero, Maria L; Alonso, Maria J; Garcia-Fuentes, Marcos

2014-01-01

Drugs with poor lipid and water solubility are some of the most challenging to formulate in nanocarriers, typically resulting in low encapsulation efficiencies and uncontrolled release profiles. PEGylated nanocapsules (PEG-NC) are known for their amenability to diverse modifications that allow the formation of domains with different physicochemical properties, an interesting feature to address a drug encapsulation problem. We explored this problem by encapsulating in PEG-NC the promising anticancer drug candidate F10320GD1, used herein as a model for compounds with such characteristics. The nanocarriers were prepared from Miglyol(®), lecithin and PEG-sterate through a solvent displacement technique. The resulting system was a homogeneous suspension of particles with size around 200 nm. F10320GD1 encapsulation was found to be very poor (<15%) if PEG-NC were prepared using water as continuous phase; but we were able to improve this value to 85% by fixing the pH of the continuous phase to 9. Interestingly, this modification also improved the controlled release properties and the chemical stability of the formulation during storage. These differences in pharmaceutical properties together with physicochemical data suggest that the pH of the continuous phase used for PEG-NC preparation can modify drug allocation, from the external shell towards the inner lipid core of the nanocapsules. Finally, we tested the bioactivity of the drug-loaded PEG-NC in several tumor cell lines, and also in endothelial cells. The results indicated that drug encapsulation led to an improvement on drug cytotoxicity in tumor cells, but not in non-tumor endothelial cells. Altogether, the data confirms that PEG-NC show adequate delivery properties for F10320GD1, and underlines its possible utility as an anticancer therapy.

Reconfigurability in MDO Problem Synthesis. Part 1

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Lewis, Robert Michael

2004-01-01

Integrating autonomous disciplines into a problem amenable to solution presents a major challenge in realistic multidisciplinary design optimization (MDO). We propose a linguistic approach to MDO problem description, formulation, and solution we call reconfigurable multidisciplinary synthesis (REMS). With assistance from computer science techniques, REMS comprises an abstract language and a collection of processes that provide a means for dynamic reasoning about MDO problems in a range of contexts. The approach may be summarized as follows. Description of disciplinary data according to the rules of a grammar, followed by lexical analysis and compilation, yields basic computational components that can be assembled into various MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. The range of contexts for reasoning about MDO spans tasks from error checking and derivative computation to formulation and reformulation of optimization problem statements. In highly structured contexts, reconfigurability can mean a straightforward transformation among problem formulations with a single operation. We hope that REMS will enable experimentation with a variety of problem formulations in research environments, assist in the assembly of MDO test problems, and serve as a pre-processor in computational frameworks in production environments. This paper, Part 1 of two companion papers, discusses the fundamentals of REMS. Part 2 illustrates the methodology in more detail.

Reconfigurability in MDO Problem Synthesis. Part 2

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Lewis, Robert Michael

2004-01-01

Integrating autonomous disciplines into a problem amenable to solution presents a major challenge in realistic multidisciplinary design optimization (MDO). We propose a linguistic approach to MDO problem description, formulation, and solution we call reconfigurable multidisciplinary synthesis (REMS). With assistance from computer science techniques, REMS comprises an abstract language and a collection of processes that provide a means for dynamic reasoning about MDO problems in a range of contexts. The approach may be summarized as follows. Description of disciplinary data according to the rules of a grammar, followed by lexical analysis and compilation, yields basic computational components that can be assembled into various MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. The range of contexts for reasoning about MDO spans tasks from error checking and derivative computation to formulation and reformulation of optimization problem statements. In highly structured contexts, reconfigurability can mean a straightforward transformation among problem formulations with a single operation. We hope that REMS will enable experimentation with a variety of problem formulations in research environments, assist in the assembly of MDO test problems, and serve as a pre-processor in computational frameworks in production environments. Part 1 of two companion papers, discusses the fundamentals of REMS. This paper, Part 2 illustrates the methodology in more detail.

Efficient and stable exponential time differencing Runge-Kutta methods for phase field elastic bending energy models

NASA Astrophysics Data System (ADS)

Wang, Xiaoqiang; Ju, Lili; Du, Qiang

2016-07-01

The Willmore flow formulated by phase field dynamics based on the elastic bending energy model has been widely used to describe the shape transformation of biological lipid vesicles. In this paper, we develop and investigate some efficient and stable numerical methods for simulating the unconstrained phase field Willmore dynamics and the phase field Willmore dynamics with fixed volume and surface area constraints. The proposed methods can be high-order accurate and are completely explicit in nature, by combining exponential time differencing Runge-Kutta approximations for time integration with spectral discretizations for spatial operators on regular meshes. We also incorporate novel linear operator splitting techniques into the numerical schemes to improve the discrete energy stability. In order to avoid extra numerical instability brought by use of large penalty parameters in solving the constrained phase field Willmore dynamics problem, a modified augmented Lagrange multiplier approach is proposed and adopted. Various numerical experiments are performed to demonstrate accuracy and stability of the proposed methods.

First-order system least squares and the energetic variational approach for two-phase flow

NASA Astrophysics Data System (ADS)

Adler, J. H.; Brannick, J.; Liu, C.; Manteuffel, T.; Zikatanov, L.

2011-07-01

This paper develops a first-order system least-squares (FOSLS) formulation for equations of two-phase flow. The main goal is to show that this discretization, along with numerical techniques such as nested iteration, algebraic multigrid, and adaptive local refinement, can be used to solve these types of complex fluid flow problems. In addition, from an energetic variational approach, it can be shown that an important quantity to preserve in a given simulation is the energy law. We discuss the energy law and inherent structure for two-phase flow using the Allen-Cahn interface model and indicate how it is related to other complex fluid models, such as magnetohydrodynamics. Finally, we show that, using the FOSLS framework, one can still satisfy the appropriate energy law globally while using well-known numerical techniques.

Well-posed Euler model of shock-induced two-phase flow in bubbly liquid

NASA Astrophysics Data System (ADS)

Tukhvatullina, R. R.; Frolov, S. M.

2018-03-01

A well-posed mathematical model of non-isothermal two-phase two-velocity flow of bubbly liquid is proposed. The model is based on the two-phase Euler equations with the introduction of an additional pressure at the gas bubble surface, which ensures the well-posedness of the Cauchy problem for a system of governing equations with homogeneous initial conditions, and the Rayleigh-Plesset equation for radial pulsations of gas bubbles. The applicability conditions of the model are formulated. The model is validated by comparing one-dimensional calculations of shock wave propagation in liquids with gas bubbles with a gas volume fraction of 0.005-0.3 with experimental data. The model is shown to provide satisfactory results for the shock propagation velocity, pressure profiles, and the shock-induced motion of the bubbly liquid column.

Pharmacokinetic evaluation of novel midazolam gel formulations following buccal administration to healthy dogs.

PubMed

Aldawsari, Mohammed F; Lau, Vivian W; Babu, Ramapuram J; Arnold, Robert D; Platt, Simon R

2018-01-01

OBJECTIVE To determine the physiochemical properties and pharmacokinetics of 3 midazolam gel formulations following buccal administration to dogs. ANIMALS 5 healthy adult hounds. PROCEDURES In phase 1 of a 2-phase study, 2 gel formulations were developed that contained 1% midazolam in a poloxamer 407 (P1) or hydroxypropyl methylcellulose (H1) base and underwent rheological and in vitro release analyses. Each formulation was buccally administered to 5 dogs such that 0.3 mg of midazolam/kg was delivered. Each dog also received midazolam hydrochloride (0.3 mg/kg, IV). There was a 3-day interval between treatments. Blood samples were collected immediately before and at predetermined times for 8 hours after drug administration for determination of plasma midazolam concentration and pharmacokinetic analysis. During phase 2, a gel containing 2% midazolam in a hydroxypropyl methylcellulose base (H2) was developed on the basis of phase 1 results. That gel was buccally administered such that midazolam doses of 0.3 and 0.6 mg/kg were delivered. Each dog also received midazolam (0.3 mg/kg, IV). All posttreatment procedures were the same as those for phase 1. RESULTS The H1 and H2 formulations had lower viscosity, greater bioavailability, and peak plasma midazolam concentrations that were approximately 2-fold as high, compared with those for the P1 formulation. The mean peak plasma midazolam concentration for the H2 formulation was 187.0 and 106.3 ng/mL when the midazolam dose administered was 0.6 and 0.3 mg/kg, respectively. CONCLUSIONS AND CLINICAL RELEVANCE Results indicated that buccal administration of gel formulations might be a viable alternative for midazolam administration to dogs.

Optimization of formulation variables of benzocaine liposomes using experimental design.

PubMed

Mura, Paola; Capasso, Gaetano; Maestrelli, Francesca; Furlanetto, Sandra

2008-01-01

This study aimed to optimize, by means of an experimental design multivariate strategy, a liposomal formulation for topical delivery of the local anaesthetic agent benzocaine. The formulation variables for the vesicle lipid phase uses potassium glycyrrhizinate (KG) as an alternative to cholesterol and the addition of a cationic (stearylamine) or anionic (dicethylphosphate) surfactant (qualitative factors); the percents of ethanol and the total volume of the hydration phase (quantitative factors) were the variables for the hydrophilic phase. The combined influence of these factors on the considered responses (encapsulation efficiency (EE%) and percent drug permeated at 180 min (P%)) was evaluated by means of a D-optimal design strategy. Graphic analysis of the effects indicated that maximization of the selected responses requested opposite levels of the considered factors: For example, KG and stearylamine were better for increasing EE%, and cholesterol and dicethylphosphate for increasing P%. In the second step, the Doehlert design, applied for the response-surface study of the quantitative factors, pointed out a negative interaction between percent ethanol and volume of the hydration phase and allowed prediction of the best formulation for maximizing drug permeation rate. Experimental P% data of the optimized formulation were inside the confidence interval (P < 0.05) calculated around the predicted value of the response. This proved the suitability of the proposed approach for optimizing the composition of liposomal formulations and predicting the effects of formulation variables on the considered experimental response. Moreover, the optimized formulation enabled a significant improvement (P < 0.05) of the drug anaesthetic effect with respect to the starting reference liposomal formulation, thus demonstrating its actually better therapeutic effectiveness.

Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

NASA Astrophysics Data System (ADS)

Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

2016-06-01

Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

Combinatorial Optimization Algorithms for Dynamic Multiple Fault Diagnosis in Automotive and Aerospace Applications

NASA Astrophysics Data System (ADS)

Kodali, Anuradha

In this thesis, we develop dynamic multiple fault diagnosis (DMFD) algorithms to diagnose faults that are sporadic and coupled. Firstly, we formulate a coupled factorial hidden Markov model-based (CFHMM) framework to diagnose dependent faults occurring over time (dynamic case). Here, we implement a mixed memory Markov coupling model to determine the most likely sequence of (dependent) fault states, the one that best explains the observed test outcomes over time. An iterative Gauss-Seidel coordinate ascent optimization method is proposed for solving the problem. A soft Viterbi algorithm is also implemented within the framework for decoding dependent fault states over time. We demonstrate the algorithm on simulated and real-world systems with coupled faults; the results show that this approach improves the correct isolation rate as compared to the formulation where independent fault states are assumed. Secondly, we formulate a generalization of set-covering, termed dynamic set-covering (DSC), which involves a series of coupled set-covering problems over time. The objective of the DSC problem is to infer the most probable time sequence of a parsimonious set of failure sources that explains the observed test outcomes over time. The DSC problem is NP-hard and intractable due to the fault-test dependency matrix that couples the failed tests and faults via the constraint matrix, and the temporal dependence of failure sources over time. Here, the DSC problem is motivated from the viewpoint of a dynamic multiple fault diagnosis problem, but it has wide applications in operations research, for e.g., facility location problem. Thus, we also formulated the DSC problem in the context of a dynamically evolving facility location problem. Here, a facility can be opened, closed, or can be temporarily unavailable at any time for a given requirement of demand points. These activities are associated with costs or penalties, viz., phase-in or phase-out for the opening or closing of a facility, respectively. The set-covering matrix encapsulates the relationship among the rows (tests or demand points) and columns (faults or locations) of the system at each time. By relaxing the coupling constraints using Lagrange multipliers, the DSC problem can be decoupled into independent subproblems, one for each column. Each subproblem is solved using the Viterbi decoding algorithm, and a primal feasible solution is constructed by modifying the Viterbi solutions via a heuristic. The proposed Viterbi-Lagrangian relaxation algorithm (VLRA) provides a measure of suboptimality via an approximate duality gap. As a major practical extension of the above problem, we also consider the problem of diagnosing faults with delayed test outcomes, termed delay-dynamic set-covering (DDSC), and experiment with real-world problems that exhibit masking faults. Also, we present simulation results on OR-library datasets (set-covering formulations are predominantly validated on these matrices in the literature), posed as facility location problems. Finally, we implement these algorithms to solve problems in aerospace and automotive applications. Firstly, we address the diagnostic ambiguity problem in aerospace and automotive applications by developing a dynamic fusion framework that includes dynamic multiple fault diagnosis algorithms. This improves the correct fault isolation rate, while minimizing the false alarm rates, by considering multiple faults instead of the traditional data-driven techniques based on single fault (class)-single epoch (static) assumption. The dynamic fusion problem is formulated as a maximum a posteriori decision problem of inferring the fault sequence based on uncertain outcomes of multiple binary classifiers over time. The fusion process involves three steps: the first step transforms the multi-class problem into dichotomies using error correcting output codes (ECOC), thereby solving the concomitant binary classification problems; the second step fuses the outcomes of multiple binary classifiers over time using a sliding window or block dynamic fusion method that exploits temporal data correlations over time. We solve this NP-hard optimization problem via a Lagrangian relaxation (variational) technique. The third step optimizes the classifier parameters, viz., probabilities of detection and false alarm, using a genetic algorithm. The proposed algorithm is demonstrated by computing the diagnostic performance metrics on a twin-spool commercial jet engine, an automotive engine, and UCI datasets (problems with high classification error are specifically chosen for experimentation). We show that the primal-dual optimization framework performed consistently better than any traditional fusion technique, even when it is forced to give a single fault decision across a range of classification problems. Secondly, we implement the inference algorithms to diagnose faults in vehicle systems that are controlled by a network of electronic control units (ECUs). The faults, originating from various interactions and especially between hardware and software, are particularly challenging to address. Our basic strategy is to divide the fault universe of such cyber-physical systems in a hierarchical manner, and monitor the critical variables/signals that have impact at different levels of interactions. The proposed diagnostic strategy is validated on an electrical power generation and storage system (EPGS) controlled by two ECUs in an environment with CANoe/MATLAB co-simulation. Eleven faults are injected with the failures originating in actuator hardware, sensor, controller hardware and software components. Diagnostic matrix is established to represent the relationship between the faults and the test outcomes (also known as fault signatures) via simulations. The results show that the proposed diagnostic strategy is effective in addressing the interaction-caused faults.

A Comparison of Analytical and Numerical Methods for Modeling Dissolution and Other Reactions in Transport Limited Systems

NASA Astrophysics Data System (ADS)

Hochstetler, D. L.; Kitanidis, P. K.

2009-12-01

Modeling the transport of reactive species is a computationally demanding problem, especially in complex subsurface media, where it is crucial to improve understanding of geochemical processes and the fate of groundwater contaminants. In most of these systems, reactions are inherently fast and actual rates of transformations are limited by the slower physical transport mechanisms. There have been efforts to reformulate multi-component reactive transport problems into systems that are simpler and less demanding to solve. These reformulations include defining conservative species and decoupling of reactive transport equations so that fewer of them must be solved, leaving mostly conservative equations for transport [e.g., De Simoni et al., 2005; De Simoni et al., 2007; Kräutle and Knabner, 2007; Molins et al., 2004]. Complex and computationally cumbersome numerical codes used to solve such problems have also caused De Simoni et al. [2005] to develop more manageable analytical solutions. Furthermore, this work evaluates reaction rates and has reaffirmed that the mixing rate,▽TuD▽u, where u is a solute concentration and D is the dispersion tensor, as defined by Kitanidis [1994], is an important and sometimes dominant factor in determining reaction rates. Thus, mixing of solutions is often reaction-limiting. We will present results from analytical and computational modeling of multi-component reactive-transport problems. The results have applications to dissolution of solid boundaries (e.g., calcite), dissolution of non-aqueous phase liquids (NAPLs) in separate phases, and mixing of saltwater and freshwater (e.g. saltwater intrusion in coastal carbonate aquifers). We quantify reaction rates, compare numerical and analytical results, and analyze under what circumstances which approach is most effective for a given problem. References: DeSimoni, M., et al. (2005), A procedure for the solution of multicomponent reactive transport problems, Water Resources Research, 41(W11410). DeSimoni, M., et al. (2007), A mixing ratios-based formulation for multicomponent reactive transport, Water Resources Research, 43(W07419). Kitanidis, P. (1994), The Concept of the Dilution Index, Water Resources Research, 30(7), 2011-2026. Kräutle, S., and P. Knabner (2007), A reduction scheme for coupled multicomponent transport-reaction problems in porous media: Generalization to problems with heterogeneous equilibrium reactions Water Resources Research, 43. Molins, S., et al. (2004), A formulation for decoupling components in reactive transport porblems, Water Resources Research, 40, 13.

Lost in translation: Discourses, boundaries and legitimacy in the public understanding of science in the UK

NASA Astrophysics Data System (ADS)

Lock, Simon Jay

2008-07-01

This thesis documents the historical development of debates around the public understanding of science in the UK from 1985 until 2005. Testimonies from key actors involved in the evolution of the recent public understanding of science arena, and an examination of documentary evidence, have been used to map out how this issue was problematised by scientists in the mid-1980s, and how it has developed into a contested field of activity, political interest and academic research. I propose that this historical period can be broadly understood in four phases each characterised by a dominant discourse of the public understanding of science. I examine how, within each phase, the various groups involved have engaged in boundary work: rhetorically constructing, and mobilising, ideas of 'science', 'the public', and the perceived 'problem' in the relationship between the two, in the pursuit of defining and legitimating themselves and these definitions of the relationship between science and public. Phase I is characterised as a rhetorical re-framing of earlier 'problems' of the public understanding of science by scientists and scientific institutions in the context of the 1980s. Phase II is dominated by the boundary work between scientists and social scientists as they contended for legitimacy and authority over competing discourses of public understanding of science and the institutionalisation of PUS activity and research. Phase III is characterised by a variety of discursive formulations of the 'problem' of PUS following the House of Lords report (2000) and a subsequent change in the rhetoric of public understanding of science to one of public engagement. Phase IV is dominated by the language of 'upstream engagement' and identifies the political interest in managing science's relationship with the public and the social scientific responses to this.

Testing of Environmental Satellite Bus-Instrument Interfaces Using Engineering Models

NASA Technical Reports Server (NTRS)

Gagnier, Don; Hayner, Rick; Roza, Michael; Nosek, Thomas; Razzaghi, Andrea

2004-01-01

This paper discusses the formulation and execution of a laboratory test of the electrical interfaces between multiple atmospheric science instruments and the spacecraft bus that carries them. The testing, performed in 2002, used engineering models of the instruments that will be flown on the Aura s p a c m and of the Aura spacecraft bus electronics. Aura is one of NASA's Earth Observing System @OS) Program missions managed by the Goddard Space Flight Center. The test was designed to evaluate the complex interfaces in the spacecraft and instrument command and data handling (C&DH) subsystems prior to integration of the complete flight instruments on the spacecraft. A problem discovered during (and not before) the flight hardware integration phase can cause significant cost and schedule impacts. The testing successfully surfaced problems and led to their resolution before the full-up integration phase, saving significant cost and schedule time. This approach could be used on future environmental satellite programs involving multiple, complex scientific instruments being integrated onto a bus.

Three-dimensional couette flow of dusty fluid with heat transfer in the presence of magnetic field

NASA Astrophysics Data System (ADS)

Gayathri, R.; Govindarajan, A.; Sasikala, R.

2018-04-01

This paper is focused on the mathematical modelling of three-dimensional couette flow and heat transfer of a dusty fluid between two infinite horizontal parallel porous flat plates in the presence of an induced magnetic field. The problem is formulated using a continuum two-phase model and the resulting equations are solved analytically. The lower plate is stationary while the upper plate is undergoing uniform motion in its plane. These plates are, respectively subjected to transverse exponential injection and its corresponding removal by constant suction. Due to this type of injection velocity, the flow becomes three dimensional. The closed-form expressions for velocity and temperature fields of both the fluid and dust phase are obtained by solving the governing partial differentiation equations using the perturbation method. A selective set of graphical results is presented and discussed to show interesting features of the problem. It is found that the velocity profiles of both fluid and dust particles decrease due to the increase of (magnetic parameter) Hartmann number.

A modeling framework for optimal long-term care insurance purchase decisions in retirement planning.

PubMed

Gupta, Aparna; Li, Lepeng

2004-05-01

The level of need and costs of obtaining long-term care (LTC) during retired life require that planning for it is an integral part of retirement planning. In this paper, we divide retirement planning into two phases, pre-retirement and post-retirement. On the basis of four interrelated models for health evolution, wealth evolution, LTC insurance premium and coverage, and LTC cost structure, a framework for optimal LTC insurance purchase decisions in the pre-retirement phase is developed. Optimal decisions are obtained by developing a trade-off between post-retirement LTC costs and LTC insurance premiums and coverage. Two-way branching models are used to model stochastic health events and asset returns. The resulting optimization problem is formulated as a dynamic programming problem. We compare the optimal decision under two insurance purchase scenarios: one assumes that insurance is purchased for good and other assumes it may be purchased, relinquished and re-purchased. Sensitivity analysis is performed for the retirement age.

Models, Data, and War: a Critique of the Foundation for Defense Analyses.

DTIC Science & Technology

1980-03-12

scientific formulation 6 An "objective" solution 8 Analysis of a squishy problem 9 A judgmental formulation 9 A potential for distortion 11 A subjective...inextricably tied to those judgments. Different analysts, with apparently identical knowledge of a real world problem, may develop plausible formulations ...configured is a concrete theoretical statement." 2/ The formulation of a computer model--conceiving a mathematical representation of the real world

76 FR 30705 - Problem Formulation for Human Health Risk Assessments of Pathogens in Land-Applied Biosolids

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-26

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9311-4] Problem Formulation for Human Health Risk Assessments of Pathogens in Land-Applied Biosolids AGENCY: Environmental Protection Agency (EPA). ACTION: Notice... Formulation for Human Health Risk Assessments of Pathogens in Land-Applied Biosolids'' EPA/600/R-08/035F...

Magnetically Controlled Spasmodic Accretion during Star Formation. II. Results

NASA Astrophysics Data System (ADS)

Tassis, Konstantinos; Mouschovias, Telemachos Ch.

2005-01-01

The problem of the late accretion phase of the evolution of an axisymmetric, isothermal magnetic disk surrounding a forming star has been formulated in a companion paper. The ``central sink approximation'' is used to circumvent the problem of describing the evolution inside the opaque central region for densities greater than 1011 cm-3 and radii smaller than a few AU. Only the electrons are assumed to be attached to the magnetic field lines, and the effects of both negatively and positively charged grains are accounted for. After a mass of 0.1 Msolar accumulates in the central cell (forming star), a series of magnetically driven outflows and associated outward-propagating shocks form in a quasi-periodic fashion. As a result, mass accretion onto the protostar occurs in magnetically controlled bursts. We refer to this process as spasmodic accretion. The shocks propagate outward with supermagnetosonic speeds. The period of dissipation and revival of the outflow decreases in time, as the mass accumulated in the central sink increases. We evaluate the contribution of ambipolar diffusion to the resolution of the magnetic flux problem of star formation during the accretion phase, and we find it to be very significant albeit not sufficient to resolve the entire problem yet. Ohmic dissipation is completely negligible in the disk during this phase of the evolution. The protostellar disk is found to be stable against interchange-like instabilities, despite the fact that the mass-to-flux ratio has temporary local maxima.

Hawking radiation and classical tunneling: A ray phase space approach

NASA Astrophysics Data System (ADS)

Tracy, E. R.; Zhigunov, D.

2016-01-01

Acoustic waves in fluids undergoing the transition from sub- to supersonic flow satisfy governing equations similar to those for light waves in the immediate vicinity of a black hole event horizon. This acoustic analogy has been used by Unruh and others as a conceptual model for "Hawking radiation." Here, we use variational methods, originally introduced by Brizard for the study of linearized MHD, and ray phase space methods, to analyze linearized acoustics in the presence of background flows. The variational formulation endows the evolution equations with natural Hermitian and symplectic structures that prove useful for later analysis. We derive a 2 × 2 normal form governing the wave evolution in the vicinity of the "event horizon." This shows that the acoustic model can be reduced locally (in ray phase space) to a standard (scalar) tunneling process weakly coupled to a unidirectional non-dispersive wave (the "incoming wave"). Given the normal form, the Hawking "thermal spectrum" can be derived by invoking standard tunneling theory, but only by ignoring the coupling to the incoming wave. Deriving the normal form requires a novel extension of the modular ray-based theory used previously to study tunneling and mode conversion in plasmas. We also discuss how ray phase space methods can be used to change representation, which brings the problem into a form where the wave functions are less singular than in the usual formulation, a fact that might prove useful in numerical studies.

A new fringeline-tracking approach for color Doppler ultrasound imaging phase unwrapping

NASA Astrophysics Data System (ADS)

Saad, Ashraf A.; Shapiro, Linda G.

2008-03-01

Color Doppler ultrasound imaging is a powerful non-invasive diagnostic tool for many clinical applications that involve examining the anatomy and hemodynamics of human blood vessels. These clinical applications include cardio-vascular diseases, obstetrics, and abdominal diseases. Since its commercial introduction in the early eighties, color Doppler ultrasound imaging has been used mainly as a qualitative tool with very little attempts to quantify its images. Many imaging artifacts hinder the quantification of the color Doppler images, the most important of which is the aliasing artifact that distorts the blood flow velocities measured by the color Doppler technique. In this work we will address the color Doppler aliasing problem and present a recovery methodology for the true flow velocities from the aliased ones. The problem is formulated as a 2D phase-unwrapping problem, which is a well-defined problem with solid theoretical foundations for other imaging domains, including synthetic aperture radar and magnetic resonance imaging. This paper documents the need for a phase unwrapping algorithm for use in color Doppler ultrasound image analysis. It describes a new phase-unwrapping algorithm that relies on the recently developed cutline detection approaches. The algorithm is novel in its use of heuristic information provided by the ultrasound imaging modality to guide the phase unwrapping process. Experiments have been performed on both in-vitro flow-phantom data and in-vivo human blood flow data. Both data types were acquired under a controlled acquisition protocol developed to minimize the distortion of the color Doppler data and hence to simplify the phase-unwrapping task. In addition to the qualitative assessment of the results, a quantitative assessment approach was developed to measure the success of the results. The results of our new algorithm have been compared on ultrasound data to those from other well-known algorithms, and it outperforms all of them.

Structural design using equilibrium programming formulations

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.

1995-01-01

Solutions to increasingly larger structural optimization problems are desired. However, computational resources are strained to meet this need. New methods will be required to solve increasingly larger problems. The present approaches to solving large-scale problems involve approximations for the constraints of structural optimization problems and/or decomposition of the problem into multiple subproblems that can be solved in parallel. An area of game theory, equilibrium programming (also known as noncooperative game theory), can be used to unify these existing approaches from a theoretical point of view (considering the existence and optimality of solutions), and be used as a framework for the development of new methods for solving large-scale optimization problems. Equilibrium programming theory is described, and existing design techniques such as fully stressed design and constraint approximations are shown to fit within its framework. Two new structural design formulations are also derived. The first new formulation is another approximation technique which is a general updating scheme for the sensitivity derivatives of design constraints. The second new formulation uses a substructure-based decomposition of the structure for analysis and sensitivity calculations. Significant computational benefits of the new formulations compared with a conventional method are demonstrated.

Early repositioning through compound set enrichment analysis: a knowledge-recycling strategy.

PubMed

Temesi, Gergely; Bolgár, Bence; Arany, Adám; Szalai, Csaba; Antal, Péter; Mátyus, Péter

2014-04-01

Despite famous serendipitous drug repositioning success stories, systematic projects have not yet delivered the expected results. However, repositioning technologies are gaining ground in different phases of routine drug development, together with new adaptive strategies. We demonstrate the power of the compound information pool, the ever-growing heterogeneous information repertoire of approved drugs and candidates as an invaluable catalyzer in this transition. Systematic, computational utilization of this information pool for candidates in early phases is an open research problem; we propose a novel application of the enrichment analysis statistical framework for fusion of this information pool, specifically for the prediction of indications. Pharmaceutical consequences are formulated for a systematic and continuous knowledge recycling strategy, utilizing this information pool throughout the drug-discovery pipeline.

Rigorous diffraction analysis using geometrical theory of diffraction for future mask technology

NASA Astrophysics Data System (ADS)

Chua, Gek S.; Tay, Cho J.; Quan, Chenggen; Lin, Qunying

2004-05-01

Advanced lithographic techniques such as phase shift masks (PSM) and optical proximity correction (OPC) result in a more complex mask design and technology. In contrast to the binary masks, which have only transparent and nontransparent regions, phase shift masks also take into consideration transparent features with a different optical thickness and a modified phase of the transmitted light. PSM are well-known to show prominent diffraction effects, which cannot be described by the assumption of an infinitely thin mask (Kirchhoff approach) that is used in many commercial photolithography simulators. A correct prediction of sidelobe printability, process windows and linearity of OPC masks require the application of rigorous diffraction theory. The problem of aerial image intensity imbalance through focus with alternating Phase Shift Masks (altPSMs) is performed and compared between a time-domain finite-difference (TDFD) algorithm (TEMPEST) and Geometrical theory of diffraction (GTD). Using GTD, with the solution to the canonical problems, we obtained a relationship between the edge on the mask and the disturbance in image space. The main interest is to develop useful formulations that can be readily applied to solve rigorous diffraction for future mask technology. Analysis of rigorous diffraction effects for altPSMs using GTD approach will be discussed.

Attitude and Configuration Control of Flexible Multi-Body Spacecraft

NASA Astrophysics Data System (ADS)

Cho, Sung-Ki; Cochran, John E., Jr.

2002-06-01

Multi-body spacecraft attitude and configuration control formulations based on the use of collaborative control theory are considered. The control formulations are based on two-player, nonzero-sum, differential game theory applied using a Nash strategy. It is desired that the control laws allow different components of the multi-body system to perform different tasks. For example, it may be desired that one body points toward a fixed star while another body in the system slews to track another satellite. Although similar to the linear quadratic regulator formulation, the collaborative control formulation contains a number of additional design parameters because the problem is formulated as two control problems coupled together. The use of the freedom of the partitioning of the total problem into two coupled control problems and the selection of the elements of the cross-coupling matrices are specific problems addressed in this paper. Examples are used to show that significant improvement in performance, as measured by realistic criteria, of collaborative control over conventional linear quadratic regulator control can be achieved by using proposed design guidelines.

Modified Finite Particle Methods for Stokes problems

NASA Astrophysics Data System (ADS)

Montanino, A.; Asprone, D.; Reali, A.; Auricchio, F.

2018-04-01

The Modified Finite Particle Method (MFPM) is a numerical method belonging to the class of meshless methods, nowadays widely investigated due to their characteristic of being capable to easily model large deformation and fluid-dynamic problems. Here we use the MFPM to approximate the Stokes problem. Since the classical formulation of the Stokes problem may lead to pressure spurious oscillations, we investigate alternative formulations and focus on how MFPM discretization behaves in those situations. Some of the investigated formulations, in fact, do not enforce strongly the incompressibility constraint, and therefore an important issue of the present work is to verify if the MFPM is able to correctly reproduce the incompressibility in those cases. The numerical results show that for the formulations in which the incompressibility constraint is properly satisfied from a numerical point of view, the expected second-order is achieved, both in static and in dynamic problems.

On solving three-dimensional open-dimension rectangular packing problems

NASA Astrophysics Data System (ADS)

Junqueira, Leonardo; Morabito, Reinaldo

2017-05-01

In this article, a recently proposed three-dimensional open-dimension rectangular packing problem is considered, in which the objective is to find a minimal volume rectangular container that packs a set of rectangular boxes. The literature has tackled small-sized instances of this problem by means of optimization solvers, position-free mixed-integer programming (MIP) formulations and piecewise linearization approaches. In this study, the problem is alternatively addressed by means of grid-based position MIP formulations, whereas still considering optimization solvers and the same piecewise linearization techniques. A comparison of the computational performance of both models is then presented, when tested with benchmark problem instances and with new instances, and it is shown that the grid-based position MIP formulation can be competitive, depending on the characteristics of the instances. The grid-based position MIP formulation is also embedded with real-world practical constraints, such as cargo stability, and results are additionally presented.

New Mathematical Strategy Using Branch and Bound Method

NASA Astrophysics Data System (ADS)

Tarray, Tanveer Ahmad; Bhat, Muzafar Rasool

In this paper, the problem of optimal allocation in stratified random sampling is used in the presence of nonresponse. The problem is formulated as a nonlinear programming problem (NLPP) and is solved using Branch and Bound method. Also the results are formulated through LINGO.

Study of energy partitioning using a set of related explosive formulations

NASA Astrophysics Data System (ADS)

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

2012-03-01

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

Gaussian-windowed frame based method of moments formulation of surface-integral-equation for extended apertures

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

Shlivinski, A., E-mail: amirshli@ee.bgu.ac.il; Lomakin, V., E-mail: vlomakin@eng.ucsd.edu

2016-03-01

Scattering or coupling of electromagnetic beam-field at a surface discontinuity separating two homogeneous or inhomogeneous media with different propagation characteristics is formulated using surface integral equation, which are solved by the Method of Moments with the aid of the Gabor-based Gaussian window frame set of basis and testing functions. The application of the Gaussian window frame provides (i) a mathematically exact and robust tool for spatial-spectral phase-space formulation and analysis of the problem; (ii) a system of linear equations in a transmission-line like form relating mode-like wave objects of one medium with mode-like wave objects of the second medium; (iii)more » furthermore, an appropriate setting of the frame parameters yields mode-like wave objects that blend plane wave properties (as if solving in the spectral domain) with Green's function properties (as if solving in the spatial domain); and (iv) a representation of the scattered field with Gaussian-beam propagators that may be used in many large (in terms of wavelengths) systems.« less

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G; Degertekin, F Levent; Rosen, David W

2014-03-01

A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface phenomena.

A non-conventional discontinuous Lagrangian for viscous flow

PubMed Central

Marner, F.

2017-01-01

Drawing an analogy with quantum mechanics, a new Lagrangian is proposed for a variational formulation of the Navier–Stokes equations which to-date has remained elusive. A key feature is that the resulting Lagrangian is discontinuous in nature, posing additional challenges apropos the mathematical treatment of the related variational problem, all of which are resolvable. In addition to extending Lagrange's formalism to problems involving discontinuous behaviour, it is demonstrated that the associated equations of motion can self-consistently be interpreted within the framework of thermodynamics beyond local equilibrium, with the limiting case recovering the classical Navier–Stokes equations. Perspectives for applying the new formalism to discontinuous physical phenomena such as phase and grain boundaries, shock waves and flame fronts are provided. PMID:28386415

Optimal design of FIR triplet halfband filter bank and application in image coding.

PubMed

Kha, H H; Tuan, H D; Nguyen, T Q

2011-02-01

This correspondence proposes an efficient semidefinite programming (SDP) method for the design of a class of linear phase finite impulse response triplet halfband filter banks whose filters have optimal frequency selectivity for a prescribed regularity order. The design problem is formulated as the minimization of the least square error subject to peak error constraints and regularity constraints. By using the linear matrix inequality characterization of the trigonometric semi-infinite constraints, it can then be exactly cast as a SDP problem with a small number of variables and, hence, can be solved efficiently. Several design examples of the triplet halfband filter bank are provided for illustration and comparison with previous works. Finally, the image coding performance of the filter bank is presented.

A non-conventional discontinuous Lagrangian for viscous flow.

PubMed

Scholle, M; Marner, F

2017-02-01

Drawing an analogy with quantum mechanics, a new Lagrangian is proposed for a variational formulation of the Navier-Stokes equations which to-date has remained elusive. A key feature is that the resulting Lagrangian is discontinuous in nature, posing additional challenges apropos the mathematical treatment of the related variational problem, all of which are resolvable. In addition to extending Lagrange's formalism to problems involving discontinuous behaviour, it is demonstrated that the associated equations of motion can self-consistently be interpreted within the framework of thermodynamics beyond local equilibrium, with the limiting case recovering the classical Navier-Stokes equations. Perspectives for applying the new formalism to discontinuous physical phenomena such as phase and grain boundaries, shock waves and flame fronts are provided.

Optimal parameter estimation with a fixed rate of abstention

NASA Astrophysics Data System (ADS)

Gendra, B.; Ronco-Bonvehi, E.; Calsamiglia, J.; Muñoz-Tapia, R.; Bagan, E.

2013-07-01

The problems of optimally estimating a phase, a direction, and the orientation of a Cartesian frame (or trihedron) with general pure states are addressed. Special emphasis is put on estimation schemes that allow for inconclusive answers or abstention. It is shown that such schemes enable drastic improvements, up to the extent of attaining the Heisenberg limit in some cases, and the required amount of abstention is quantified. A general mathematical framework to deal with the asymptotic limit of many qubits or large angular momentum is introduced and used to obtain analytical results for all the relevant cases under consideration. Parameter estimation with abstention is also formulated as a semidefinite programming problem, for which very efficient numerical optimization techniques exist.

Noniterative implicit method for tracking particles in mixed Lagrangian-Eulerian formulations

NASA Technical Reports Server (NTRS)

Shih, T. I.-P.; Dasgupta, A.

1993-01-01

The existing implicit methods for the current initial value problems (IVPs) concerning particle-laden flows are complicated and iterative in nature. This paper presents a noniterative implicit method which can be used with pressure-based as well as with density-based algorithms. The method is illustrated by analyzing a dilute dispersion of noninteracting solid particles in an isothermal flow in a passage bounded by one straight wall and one wavy wall, in which all particles are spherical and have a finite velociy relative to the continuum phase at the inflow boundary.

A Study of the Efficacy of the Five Phase Recovery Process as a Method of Maximizing Reimbursements under the Third Party Collection Program

DTIC Science & Technology

1991-07-01

MTF, or establishing a standard CGR should be done cautiously since health care is a local phenomenon and a number of factors influence (1) the...goals should be formulated locally. That is, each MTF must identify for itself those beneficiaries in its catchment area with billable insurance who...this, managers must know the work they supervise. 8. Drive out fear. Employees should not be afraid to point out problems for fear of argument or being

Effective transient behaviour of inclusions in diffusion problems

NASA Astrophysics Data System (ADS)

Brassart, Laurence; Stainier, Laurent

2018-06-01

This paper is concerned with the effective transport properties of heterogeneous media in which there is a high contrast between the phase diffusivities. In this case the transient response of the slow phase induces a memory effect at the macroscopic scale, which needs to be included in a macroscopic continuum description. This paper focuses on the slow phase, which we take as a dispersion of inclusions of arbitrary shape. We revisit the linear diffusion problem in such inclusions in order to identify the structure of the effective (average) inclusion response to a chemical load applied on the inclusion boundary. We identify a chemical creep function (similar to the creep function of viscoelasticity), from which we construct estimates with a reduced number of relaxation modes. The proposed estimates admit an equivalent representation based on a finite number of internal variables. These estimates allow us to predict the average inclusion response under arbitrary time-varying boundary conditions at very low computational cost. A heuristic generalisation to concentration-dependent diffusion coefficient is also presented. The proposed estimates for the effective transient response of an inclusion can serve as a building block for the formulation of multi-inclusion homogenisation schemes.

Applications of fuzzy theories to multi-objective system optimization

NASA Technical Reports Server (NTRS)

Rao, S. S.; Dhingra, A. K.

1991-01-01

Most of the computer aided design techniques developed so far deal with the optimization of a single objective function over the feasible design space. However, there often exist several engineering design problems which require a simultaneous consideration of several objective functions. This work presents several techniques of multiobjective optimization. In addition, a new formulation, based on fuzzy theories, is also introduced for the solution of multiobjective system optimization problems. The fuzzy formulation is useful in dealing with systems which are described imprecisely using fuzzy terms such as, 'sufficiently large', 'very strong', or 'satisfactory'. The proposed theory translates the imprecise linguistic statements and multiple objectives into equivalent crisp mathematical statements using fuzzy logic. The effectiveness of all the methodologies and theories presented is illustrated by formulating and solving two different engineering design problems. The first one involves the flight trajectory optimization and the main rotor design of helicopters. The second one is concerned with the integrated kinematic-dynamic synthesis of planar mechanisms. The use and effectiveness of nonlinear membership functions in fuzzy formulation is also demonstrated. The numerical results indicate that the fuzzy formulation could yield results which are qualitatively different from those provided by the crisp formulation. It is felt that the fuzzy formulation will handle real life design problems on a more rational basis.

Tactile friction of topical formulations.

PubMed

Skedung, L; Buraczewska-Norin, I; Dawood, N; Rutland, M W; Ringstad, L

2016-02-01

The tactile perception is essential for all types of topical formulations (cosmetic, pharmaceutical, medical device) and the possibility to predict the sensorial response by using instrumental methods instead of sensory testing would save time and cost at an early stage product development. Here, we report on an instrumental evaluation method using tactile friction measurements to estimate perceptual attributes of topical formulations. Friction was measured between an index finger and an artificial skin substrate after application of formulations using a force sensor. Both model formulations of liquid crystalline phase structures with significantly different tactile properties, as well as commercial pharmaceutical moisturizing creams being more tactile-similar, were investigated. Friction coefficients were calculated as the ratio of the friction force to the applied load. The structures of the model formulations and phase transitions as a result of water evaporation were identified using optical microscopy. The friction device could distinguish friction coefficients between the phase structures, as well as the commercial creams after spreading and absorption into the substrate. In addition, phase transitions resulting in alterations in the feel of the formulations could be detected. A correlation was established between skin hydration and friction coefficient, where hydrated skin gave rise to higher friction. Also a link between skin smoothening and finger friction was established for the commercial moisturizing creams, although further investigations are needed to analyse this and correlations with other sensorial attributes in more detail. The present investigation shows that tactile friction measurements have potential as an alternative or complement in the evaluation of perception of topical formulations. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Moisture-induced phase separation and recrystallization in amorphous solid dispersions.

PubMed

Luebbert, Christian; Sadowski, Gabriele

2017-10-30

Active Pharmaceutical Ingredients (APIs) are often dissolved in polymeric matrices to control the gastrointestinal dissolution and to stabilize the amorphous state of the API. During the pharmaceutical development of new formulations, stability studies via storage at certain temperature and relative humidity (RH) have to be carried out to verify the long-term thermodynamic stability of these formulations against unwanted recrystallization and moisture-induced amorphous-amorphous phase separation (MIAPS). This study focuses on predicting the MIAPS of API/polymer formulations at elevated RH. In a first step, the phase behavior of water-free formulations of ibuprofen (IBU) and felodipine (FEL) combined with the polymers poly(vinyl pyrrolidone) (PVP), poly(vinyl acetate) (PVAC) and poly (vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) was determined experimentally by differential scanning calorimetry (DSC). The phase behavior of these water-free formulations was modeled using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). Based on this, the API solubility and MIAPS in the above-mentioned formulations at humid conditions was predicted in perfect agreement with the results of two-year lasting stability studies at 25°C/0% RH and 40°C/75% RH. MIAPS was predicted and also experimentally found for the FEL/PVP, FEL/PVPVA64 and IBU/PVP formulations, whereas MIAPS was neither predicted nor measured for the IBU/PVPVA64 system and PVAC-containing formulations. It was thus shown that the results of time-consuming long-term stability tests can be correctly predicted via thermodynamic modeling with PC-SAFT. Copyright © 2017 Elsevier B.V. All rights reserved.

Integration of a Portfolio-based Approach to Evaluate Aerospace R and D Problem Formulation Into a Parametric Synthesis Tool

NASA Astrophysics Data System (ADS)

Oza, Amit R.

The focus of this study is to improve R&D effectiveness towards aerospace and defense planning in the early stages of the product development lifecycle. Emphasis is on: correct formulation of a decision problem, with special attention to account for data relationships between the individual design problem and the system capability required to size the aircraft, understanding of the meaning of the acquisition strategy objective and subjective data requirements that are required to arrive at a balanced analysis and/or "correct" mix of technology projects, understanding the meaning of the outputs that can be created from the technology analysis, and methods the researcher can use at effectively support decisions at the acquisition and conceptual design levels through utilization of a research and development portfolio strategy. The primary objectives of this study are to: (1) determine what strategy should be used to initialize conceptual design parametric sizing processes during requirements analysis for the materiel solution analysis stage of the product development lifecycle when utilizing data already constructed in the latter phase when working with a generic database management system synthesis tool integration architecture for aircraft design , and (2) assess how these new data relationships can contribute for innovative decision-making when solving acquisition hardware/technology portfolio problems. As such, an automated composable problem formulation system is developed to consider data interactions for the system architecture that manages acquisition pre-design concept refinement portfolio management, and conceptual design parametric sizing requirements. The research includes a way to: • Formalize the data storage and implement the data relationship structure with a system architecture automated through a database management system. • Allow for composable modeling, in terms of level of hardware abstraction, for the product model, mission model, and operational constraint model data blocks in the pre-design stages. • Allow the product model, mission model, and operational constraint model to be cross referenced with a generic aircraft synthesis capability to identify disciplinary analysis methods and processes. • Allow for matching, comparison, and balancing of the aircraft hardware portfolio to the associated developmental and technology risk metrics. • Allow for visualization technology portfolio decision space. The problem formulation architecture is finally implemented and verified for a generic hypersonic vehicle research demonstrator where a portfolio of technology hardware are measured for developmental and technology risks, prioritized by the researcher risk constraints, and the data generated delivered to a novel aircraft synthesis tool to confirm vehicle feasibility.

Equivalency principle for magnetoelectroelastic multiferroics with arbitrary microstructure: The phase field approach

NASA Astrophysics Data System (ADS)

Ni, Yong; He, Linghui; Khachaturyan, Armen G.

2010-07-01

A phase field method is proposed to determine the equilibrium fields of a magnetoelectroelastic multiferroic with arbitrarily distributed constitutive constants under applied loadings. This method is based on a developed generalized Eshelby's equivalency principle, in which the elastic strain, electrostatic, and magnetostatic fields at the equilibrium in the original heterogeneous system are exactly the same as those in an equivalent homogeneous magnetoelectroelastic coupled or uncoupled system with properly chosen distributed effective eigenstrain, polarization, and magnetization fields. Finding these effective fields fully solves the equilibrium elasticity, electrostatics, and magnetostatics in the original heterogeneous multiferroic. The paper formulates a variational principle proving that the effective fields are minimizers of appropriate close-form energy functional. The proposed phase field approach produces the energy minimizing effective fields (and thus solving the general multiferroic problem) as a result of artificial relaxation process described by the Ginzburg-Landau-Khalatnikov kinetic equations.

Advancing RF pulse design using an open-competition format: Report from the 2015 ISMRM challenge.

PubMed

Grissom, William A; Setsompop, Kawin; Hurley, Samuel A; Tsao, Jeffrey; Velikina, Julia V; Samsonov, Alexey A

2017-10-01

To advance the best solutions to two important RF pulse design problems with an open head-to-head competition. Two sub-challenges were formulated in which contestants competed to design the shortest simultaneous multislice (SMS) refocusing pulses and slice-selective parallel transmission (pTx) excitation pulses, subject to realistic hardware and safety constraints. Short refocusing pulses are needed for spin echo SMS imaging at high multiband factors, and short slice-selective pTx pulses are needed for multislice imaging in ultra-high field MRI. Each sub-challenge comprised two phases, in which the first phase posed problems with a low barrier of entry, and the second phase encouraged solutions that performed well in general. The Challenge ran from October 2015 to May 2016. The pTx Challenge winners developed a spokes pulse design method that combined variable-rate selective excitation with an efficient method to enforce SAR constraints, which achieved 10.6 times shorter pulse durations than conventional approaches. The SMS Challenge winners developed a time-optimal control multiband pulse design algorithm that achieved 5.1 times shorter pulse durations than conventional approaches. The Challenge led to rapid step improvements in solutions to significant problems in RF excitation for SMS imaging and ultra-high field MRI. Magn Reson Med 78:1352-1361, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Diffusion and Localization of Relative Strategy Scores in The Minority Game

NASA Astrophysics Data System (ADS)

Granath, Mats; Perez-Diaz, Alvaro

2016-10-01

We study the equilibrium distribution of relative strategy scores of agents in the asymmetric phase (α ≡ P/N≳ 1) of the basic Minority Game using sign-payoff, with N agents holding two strategies over P histories. We formulate a statistical model that makes use of the gauge freedom with respect to the ordering of an agent's strategies to quantify the correlation between the attendance and the distribution of strategies. The relative score xin Z of the two strategies of an agent is described in terms of a one dimensional random walk with asymmetric jump probabilities, leading either to a static and asymmetric exponential distribution centered at x=0 for fickle agents or to diffusion with a positive or negative drift for frozen agents. In terms of scaled coordinates x/√{N} and t / N the distributions are uniquely given by α and in quantitative agreement with direct simulations of the game. As the model avoids the reformulation in terms of a constrained minimization problem it can be used for arbitrary payoff functions with little calculational effort and provides a transparent and simple formulation of the dynamics of the basic Minority Game in the asymmetric phase.

Industrially relevant epoxy-acrylate hybrid resin photopolymerizations

NASA Astrophysics Data System (ADS)

Ajiboye, Gbenga I.

Photopolymerization of epoxy-acrylate hybrid resins takes advantages of inherent properties present in the free-radical and cationic reactions to reduce oxygen inhibition problems that plague free-radical reactions. Similarly, the combined reaction mechanisms reduce moisture sensitivity of the cationic reactions. Despite the advantages of epoxy-acrylate hybrid resins, problems persist that need to be addressed. For example, low conversion and polymerization rate of the epoxides are a problem, because the fast acrylate conversion prevents the epoxide from reaching high conversion. Controlling phase separation is challenging, since two moieties with different properties are reacting. The physical properties of the polymer will be impacted by the availability of different moieties. High shrinkage stress results from the acrylate moiety, causing buckling and cracking in film and coating applications. The overall goal of this study is to use the fundamental knowledge of epoxy-acrylate hybrid resins to formulate industrially viable polymers. In order to achieve this goal, the study focuses on the following objectives: (I) determine the apparent activation energy of the hybrid monomer METHB, (II) increase epoxide conversion and polymerization rate of hybrid formulations, and (III) control physical properties in epoxy-acrylate hybrid resins. In order to increase the epoxide conversion and rate of polymerization, the sensitivity of epoxides to alcohol is used to facilitate the activated monomer (AM) mechanism and induce a covalent bond between the epoxide and acrylate polymers through the hydroxyl group. It is hypothesized that if the AM mechanism is facilitated, epoxide conversion will increase. As a result, the resins can be tailored to control phase separation and physical properties, and shrinkage stress can be reduced. In pursuit of these objectives, the hybrid monomer METHB was polymerized at temperatures ranging from 30°C to 70°C to obtain apparent activation energy of 23.49 kJ/mol for acrylate and 57 kJ/mol for epoxide moeities. Then, hybrid systems pairing hydroxyl-containing acrylates with epoxides were formulated to promote the faster AM mechanism. Monomer composition was changed in the presence of hydroxyl-containing acrylate, and initiators were carefully selected in order to control phase separation. The conversion of acrylate and epoxide was monitored in real time by Raman spectroscopy. The physical and mechanical properties were monitored using dynamic mechanical analysis. Epoxide conversion and rate of polymerization in epoxide-acrylate hybrid monomer systems were shown to increase through the introduction of a hydroxyl group on the meth/acrylate monomer, taking advantage of the faster AM mechanism. In addition, this covalent bond linking the epoxide network to the meth/acrylate polymer chains resulted in little or no phase separation and a reduction of the Tg for the hybrid polymer compared to the neat epoxide. Fundamental knowledge gained from this research will enable the use of epoxy-acrylate hybrid resins in variety of applications. For instance, shrinkage may be reduced in dental fillings, noise and vibration problems in aircraft and other machinery may be controlled, and photopolymerization cost could be reduced in thin film applications.

Flyby Characterization of Lower-Degree Spherical Harmonics Around Small Bodies

NASA Technical Reports Server (NTRS)

Takahashi, Yu; Broschart, Stephen; Lantoine, Gregory

2014-01-01

Interest in studying small bodies has grown significantly in the last two decades, and there are a number of past, present, and future missions. These small body missions challenge navigators with significantly different kinds of problems than the planets and moons do. The small bodies' shape is often irregular and their gravitational field significantly weak, which make the designing of a stable orbit a complex dynamical problem. In the initial phase of spacecraft rendezvous with a small body, the determination of the gravitational parameter and lower-degree spherical harmonics are of crucial importance for safe navigation purposes. This motivates studying how well one can determine the total mass and lower-degree spherical harmonics in a relatively short time in the initial phase of the spacecraft rendezvous via flybys. A quick turnaround for the gravity data is of high value since it will facilitate the subsequent mission design of the main scientific observation campaign. We will present how one can approach the problem to determine a desirable flyby geometry for a general small body. We will work in the non-dimensional formulation since it will generalize our results across different size/mass bodies and the rotation rate for a specific combination of gravitational coefficients.

Finding Maximum Cliques on the D-Wave Quantum Annealer

DOE PAGES

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg; ...

2018-05-03

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Finding Maximum Cliques on the D-Wave Quantum Annealer

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

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Exact solutions for the static bending of Euler-Bernoulli beams using Eringen's two-phase local/nonlocal model

NASA Astrophysics Data System (ADS)

Wang, Y. B.; Zhu, X. W.; Dai, H. H.

2016-08-01

Though widely used in modelling nano- and micro- structures, Eringen's differential model shows some inconsistencies and recent study has demonstrated its differences between the integral model, which then implies the necessity of using the latter model. In this paper, an analytical study is taken to analyze static bending of nonlocal Euler-Bernoulli beams using Eringen's two-phase local/nonlocal model. Firstly, a reduction method is proved rigorously, with which the integral equation in consideration can be reduced to a differential equation with mixed boundary value conditions. Then, the static bending problem is formulated and four types of boundary conditions with various loadings are considered. By solving the corresponding differential equations, exact solutions are obtained explicitly in all of the cases, especially for the paradoxical cantilever beam problem. Finally, asymptotic analysis of the exact solutions reveals clearly that, unlike the differential model, the integral model adopted herein has a consistent softening effect. Comparisons are also made with existing analytical and numerical results, which further shows the advantages of the analytical results obtained. Additionally, it seems that the once controversial nonlocal bar problem in the literature is well resolved by the reduction method.

Curcumin loaded nano globules for solubility enhancement: preparation, characterization and ex vivo release study.

PubMed

Kumar, Anil; Ahuja, Alka; Ali, Javed; Baboota, Sanjula

2012-11-01

Curcumin in spite of being an effective chemotherapeutic agent against different type of cancer, suffer from the problem of low systemic bioavailability due to low aqueous solubility, extensive intestinal metabolism and first-pass metabolism when administered via the oral route. The aim of present investigation was to evaluate the potential of nano globules based nanoemulsion formulation for the solubility enhancement of curcumin. The nano globules based formulation was developed using Labrafac Lipophile WL 1349, Unitop FFT 40, PEG 400 and distilled water as an oil, surfactant, co-surfactant and aqueous phase respectively using aqueous titration method. Furthermore, different formulations were subjected to physical stability and consequently evaluated for ex vivo permeation using small intestine. The optimized formulation had small average globule diameter of 58 nm with zeta potential of -32 mv which indicated long-term dispersion stability. The globules were spherical in shape as observed by Transmission electron microscopy. During ex vivo study, the release of curcumin from nanoemulsion was 96.21% and 98.1% in 6 h and 12 h respectively whereas CU suspension was release up to 28.2% at the end of 12 h. This indicated the enhancement of solubility of curcumin in aqueous solution which is the rate limiting step in the absorption of curcumin in the intestine.

Initial Results of an MDO Method Evaluation Study

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Kodiyalam, Srinivas

1998-01-01

The NASA Langley MDO method evaluation study seeks to arrive at a set of guidelines for using promising MDO methods by accumulating and analyzing computational data for such methods. The data are collected by conducting a series of re- producible experiments. In the first phase of the study, three MDO methods were implemented in the SIGHT: framework and used to solve a set of ten relatively simple problems. In this paper, we comment on the general considerations for conducting method evaluation studies and report some initial results obtained to date. In particular, although the results are not conclusive because of the small initial test set, other formulations, optimality conditions, and sensitivity of solutions to various perturbations. Optimization algorithms are used to solve a particular MDO formulation. It is then appropriate to speak of local convergence rates and of global convergence properties of an optimization algorithm applied to a specific formulation. An analogous distinction exists in the field of partial differential equations. On the one hand, equations are analyzed in terms of regularity, well-posedness, and the existence and unique- ness of solutions. On the other, one considers numerous algorithms for solving differential equations. The area of MDO methods studies MDO formulations combined with optimization algorithms, although at times the distinction is blurred. It is important to

Fundamental incorporation of the density change during melting of a confined phase change material

NASA Astrophysics Data System (ADS)

Hernández, Ernesto M.; Otero, José A.

2018-02-01

The modeling of thermal diffusion processes taking place in a phase change material presents a challenge when the dynamics of the phase transition is coupled to the mechanical properties of the container. Thermo-mechanical models have been developed by several authors, however, it will be shown that these models only explain the phase transition dynamics at low pressures when the density of each phase experiences negligible changes. In our proposal, a new energy-mass balance equation at the interface is derived and found to be a consequence of mass conservation. The density change experienced in each phase is predicted by the proposed formulation of the problem. Numerical and semi-analytical solutions to the proposed model are presented for an example on a high temperature phase change material. The solutions to the models presented by other authors are observed to be well-behaved close to the isobaric limit. However, compared to the results obtained from our model, the change in the fusion temperature, latent heat, and absolute pressure is found to be greatly overestimated by other proposals when the phase transition is studied close to the isochoric regime.

Liquid crystal precursor mucoadhesive system as a strategy to improve the prophylactic action of Syngonanthus nitens (Bong.) Ruhland against infection by Candida krusei

PubMed Central

dos Santos Ramos, Matheus Aparecido; Calixto, Giovana; de Toledo, Luciani Gaspar; Bonifácio, Bruna Vidal; dos Santos, Lourdes Campaner; de Almeida, Margarete Teresa Gottardo; Chorilli, Marlus; Bauab, Taís Maria

2015-01-01

Vaginal infections caused by Candida krusei are a problem of extreme complexity due to the intrinsic resistance to azole drugs. The species Syngonanthus nitens (Bong.) Ruhland is a plant of the Eriocaulaceae family that has demonstrated promising antifungal activity. In phyto-formulation research, liquid crystal precursor mucoadhesive systems (LCPM) stand out as drug delivery systems for vaginal administration because they increase the activity and overcome the problems associated with plant-based medicines. Therefore, the objective of this study was to evaluate the potential of the methanolic extract of scapes of S. nitens (S. nitens extract [SNE]) and an SNE-loaded LCPM against C. krusei as prophylaxis for vulvovaginal candidiasis. LCPM formulation developed consisted of oleic acid as the oil phase (50% w/w), polyoxypropylene (5) polyoxyethylene (20) cetyl alcohol (40% w/w) as the surfactant and a polymeric dispersion containing 2.5% Carbopol® 974P and 2.5% polycarbophil (10% w/w) as the aqueous phase. LCPM formulation developed was characterized using polarized light microscopy, rheological analysis, and in vitro mucoadhesive studies. Different strains of C. krusei, including one standard strain (American Type Culture Collection 6258) and three clinically isolated strains from the vaginal region (CKV1, 2, and 3), were used to determine the minimum inhibitory concentration, inhibition of biofilms, and time kill. The in vivo prophylaxis assay was performed using the standard strain (American Type Culture Collection 6258). The analyses of F by polarized light microscopy and rheology showed isotropy; however, the addition of 100% artificial vaginal mucus (F100) made it more viscous and anisotropic. Moreover, the mucoadhesive strength was modified, which makes F an excellent formulation for vaginal applications. SNE was active against all strains studied, with minimum inhibitory concentration values ranging from 125 to 62.5 µg/mL; after incorporating SNE into F (FE), these values decreased to 62.5 to 31.2 µg/mL, demonstrating that incorporation into the formulation potentiated the action of SNE. Additionally, the time kill assays showed that both forms of SNE were capable of controlling growth, thereby suggesting a possible fungistatic mechanism. Unloaded SNE was not active against C. krusei biofilms, but FE was active against a clinical strain (CKV2). In vivo analysis showed that FE was able to prevent the development of infection following 10 days of administration. We concluded that the formulation developed in this study was an important vehicle for the delivery of SNE based on the improved antifungal activity in all in vitro and in vivo analyses. Furthermore, the extract incorporated into the system may serve as an important prophylactic agent against vaginal infections caused by C. krusei. PMID:26719688

Pre-inflation from the multiverse: can it solve the quadrupole problem in the cosmic microwave background?

NASA Astrophysics Data System (ADS)

Morais, João; Bouhmadi-López, Mariam; Krämer, Manuel; Robles-Pérez, Salvador

2018-03-01

We analyze a quantized toy model of a universe undergoing eternal inflation using a quantum-field-theoretical formulation of the Wheeler-DeWitt equation. This so-called third quantization method leads to the picture that the eternally inflating universe is converted to a multiverse in which sub-universes are created and exhibit a distinctive phase in their evolution before reaching an asymptotic de Sitter phase. From the perspective of one of these sub-universes, we can thus analyze the pre-inflationary phase that arises naturally. Assuming that our observable universe is represented by one of those sub-universes, we calculate how this pre-inflationary phase influences the power spectrum of the cosmic microwave background (CMB) anisotropies and analyze whether it can explain the observed discrepancy of the power spectrum on large scales, i.e. the quadrupole issue in the CMB. While the answer to this question is negative in the specific model analyzed here, we point out a possible resolution of this issue.

Pre-inflation from the multiverse: can it solve the quadrupole problem in the cosmic microwave background?

PubMed

Morais, João; Bouhmadi-López, Mariam; Krämer, Manuel; Robles-Pérez, Salvador

2018-01-01

We analyze a quantized toy model of a universe undergoing eternal inflation using a quantum-field-theoretical formulation of the Wheeler-DeWitt equation. This so-called third quantization method leads to the picture that the eternally inflating universe is converted to a multiverse in which sub-universes are created and exhibit a distinctive phase in their evolution before reaching an asymptotic de Sitter phase. From the perspective of one of these sub-universes, we can thus analyze the pre-inflationary phase that arises naturally. Assuming that our observable universe is represented by one of those sub-universes, we calculate how this pre-inflationary phase influences the power spectrum of the cosmic microwave background (CMB) anisotropies and analyze whether it can explain the observed discrepancy of the power spectrum on large scales, i.e. the quadrupole issue in the CMB. While the answer to this question is negative in the specific model analyzed here, we point out a possible resolution of this issue.

Rival framings: A framework for discovering how problem formulation uncertainties shape risk management trade-offs in water resources systems

NASA Astrophysics Data System (ADS)

Quinn, J. D.; Reed, P. M.; Giuliani, M.; Castelletti, A.

2017-08-01

Managing water resources systems requires coordinated operation of system infrastructure to mitigate the impacts of hydrologic extremes while balancing conflicting multisectoral demands. Traditionally, recommended management strategies are derived by optimizing system operations under a single problem framing that is assumed to accurately represent the system objectives, tacitly ignoring the myriad of effects that could arise from simplifications and mathematical assumptions made when formulating the problem. This study illustrates the benefits of a rival framings framework in which analysts instead interrogate multiple competing hypotheses of how complex water management problems should be formulated. Analyzing rival framings helps discover unintended consequences resulting from inherent biases of alternative problem formulations. We illustrate this on the monsoonal Red River basin in Vietnam by optimizing operations of the system's four largest reservoirs under several different multiobjective problem framings. In each rival framing, we specify different quantitative representations of the system's objectives related to hydropower production, agricultural water supply, and flood protection of the capital city of Hanoi. We find that some formulations result in counterintuitive behavior. In particular, policies designed to minimize expected flood damages inadvertently increase the risk of catastrophic flood events in favor of hydropower production, while min-max objectives commonly used in robust optimization provide poor representations of system tradeoffs due to their instability. This study highlights the importance of carefully formulating and evaluating alternative mathematical abstractions of stakeholder objectives describing the multisectoral water demands and risks associated with hydrologic extremes.

Accurate, rapid identification of dislocation lines in coherent diffractive imaging via a min-max optimization formulation

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

Ulvestad, A.; Menickelly, M.; Wild, S. M.

Defects such as dislocations impact materials properties and their response during external stimuli. Imaging these defects in their native operating conditions to establish the structure-function relationship and, ultimately, to improve performance via defect engineering has remained a considerable challenge for both electron-based and x-ray-based imaging techniques. While Bragg coherent x-ray diffractive imaging (BCDI) is successful in many cases, nuances in identifying the dislocations has left manual identification as the preferred method. Derivative-based methods are also used, but they can be inaccurate and are computationally inefficient. Here we demonstrate a derivative-free method that is both more accurate and more computationally efficientmore » than either derivative-or human-based methods for identifying 3D dislocation lines in nanocrystal images produced by BCDI. We formulate the problem as a min-max optimization problem and show exceptional accuracy for experimental images. We demonstrate a 227x speedup for a typical experimental dataset with higher accuracy over current methods. We discuss the possibility of using this algorithm as part of a sparsity-based phase retrieval process. We also provide MATLAB code for use by other researchers.« less

Accurate, rapid identification of dislocation lines in coherent diffractive imaging via a min-max optimization formulation

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Menickelly, M.; Wild, S. M.

2018-01-01

Defects such as dislocations impact materials properties and their response during external stimuli. Imaging these defects in their native operating conditions to establish the structure-function relationship and, ultimately, to improve performance via defect engineering has remained a considerable challenge for both electron-based and x-ray-based imaging techniques. While Bragg coherent x-ray diffractive imaging (BCDI) is successful in many cases, nuances in identifying the dislocations has left manual identification as the preferred method. Derivative-based methods are also used, but they can be inaccurate and are computationally inefficient. Here we demonstrate a derivative-free method that is both more accurate and more computationally efficient than either derivative- or human-based methods for identifying 3D dislocation lines in nanocrystal images produced by BCDI. We formulate the problem as a min-max optimization problem and show exceptional accuracy for experimental images. We demonstrate a 227x speedup for a typical experimental dataset with higher accuracy over current methods. We discuss the possibility of using this algorithm as part of a sparsity-based phase retrieval process. We also provide MATLAB code for use by other researchers.

A three-dimensional multiphase flow model for assesing NAPL contamination in porous and fractured media, 1. Formulation

NASA Astrophysics Data System (ADS)

Huyakorn, P. S.; Panday, S.; Wu, Y. S.

1994-06-01

A three-dimensional, three-phase numerical model is presented for stimulating the movement on non-aqueous-phase liquids (NAPL's) through porous and fractured media. The model is designed for practical application to a wide variety of contamination and remediation scenarios involving light or dense NAPL's in heterogeneous subsurface systems. The model formulation is first derived for three-phase flow of water, NAPL and air (or vapor) in porous media. The formulation is then extended to handle fractured systems using the dual-porosity and discrete-fracture modeling approaches The model accommodates a wide variety of boundary conditions, including withdrawal and injection well conditions which are treated rigorously using fully implicit schemes. The three-phase of formulation collapses to its simpler forms when air-phase dynamics are neglected, capillary effects are neglected, or two-phase-air-liquid, liquid-liquid systems with one or two active phases are considered. A Galerkin procedure with upstream weighting of fluid mobilities, storage matrix lumping, and fully implicit treatment of nonlinear coefficients and well conditions is used. A variety of nodal connectivity schemes leading to finite-difference, finite-element and hybrid spatial approximations in three dimensions are incorporated in the formulation. Selection of primary variables and evaluation of the terms of the Jacobian matrix for the Newton-Raphson linearized equations is discussed. The various nodal lattice options, and their significance to the computational time and memory requirements with regards to the block-Orthomin solution scheme are noted. Aggressive time-stepping schemes and under-relaxation formulas implemented in the code further alleviate the computational burden.

Assessing the Problem Formulation in an Integrated Assessment Model: Implications for Climate Policy Decision-Support

NASA Astrophysics Data System (ADS)

Garner, G. G.; Reed, P. M.; Keller, K.

2014-12-01

Integrated assessment models (IAMs) are often used with the intent to aid in climate change decisionmaking. Numerous studies have analyzed the effects of parametric and/or structural uncertainties in IAMs, but uncertainties regarding the problem formulation are often overlooked. Here we use the Dynamic Integrated model of Climate and the Economy (DICE) to analyze the effects of uncertainty surrounding the problem formulation. The standard DICE model adopts a single objective to maximize a weighted sum of utilities of per-capita consumption. Decisionmakers, however, may be concerned with a broader range of values and preferences that are not captured by this a priori definition of utility. We reformulate the problem by introducing three additional objectives that represent values such as (i) reliably limiting global average warming to two degrees Celsius and minimizing both (ii) the costs of abatement and (iii) the damages due to climate change. We derive a set of Pareto-optimal solutions over which decisionmakers can trade-off and assess performance criteria a posteriori. We illustrate the potential for myopia in the traditional problem formulation and discuss the capability of this multiobjective formulation to provide decision support.

APOM-project: managing change to the customer in community pharmacy practice.

PubMed

Mobach, M P; van der Werf, J; Tromp, T F

1999-10-01

In 1994, a Ph.D.-study started regarding pharmacy, organization and management (APOM) in the Netherlands. This article describes the final phase of the study in community pharmacy practice: managerial problems in change to the customer and the difference between supported pharmacy managers and independent ones. It appeared that pharmacy managers experienced problems with the formulation and use of aims, norms, and measurements. Although many organizations operating in the pharmaceutical sector are a good source for new ideas, they lack to have the proper support for these problems. The difference between supported and independent pharmacy managers was minimal in the change to the customer. Pharmacy managers are in need of micro-instrumentalization: aims, norms, and monitor instruments for customer activities applicable at their own pharmacy. Moreover, pharmacy managers will have to learn how to deal with the tension between money and care in order to improve the 'grip' on their organization.

In vitro evaluation of suspoemulsions for in situ-forming polymeric microspheres and controlled release of progesterone.

PubMed

Turino, Ludmila N; Mariano, Rodolfo N; Mengatto, Luciano N; Luna, Julio A

2015-01-01

One possibility to obtain a higher dose of drug in a lower formulation volume can be by using of saturated quantity of drug in one of the phases of an emulsion. These formulations are called suspoemulsions (S/O/W). When a hydrophobic polymer is added to the organic phase of suspoemulsions, these formulations can be used to entrap the drug inside microspheres after in situ precipitation of the polymer-drug-excipients mix. In this work, performance and stability of progesterone suspensions in triacetin as organic phase of suspoemulsions were evaluated. These formulations were compared with O/W emulsions. Mathematical models were used to study in vitro release profiles. The results confirmed that S/O/W systems could be an attractive alternative to O/W formulations for the entrapment of progesterone inside poly(d,l-lactide-co-glycolide) microspheres. Diffusive-based models fit the in vitro release of progesterone from in situ-formed microspheres. For longer release periods, a time-dependent diffusion coefficient was successfully estimated.

Inverse procedure for simultaneous evaluation of viscosity and density of Newtonian liquids from dispersion curves of Love waves

NASA Astrophysics Data System (ADS)

Kiełczyński, P.; Szalewski, M.; Balcerzak, A.

2014-07-01

Simultaneous determination of the viscosity and density of liquids is of great importance in the monitoring of technological processes in the chemical, petroleum, and pharmaceutical industry, as well as in geophysics. In this paper, the authors present the application of Love waves for simultaneous inverse determination of the viscosity and density of liquids. The inversion procedure is based on measurements of the dispersion curves of phase velocity and attenuation of ultrasonic Love waves. The direct problem of the Love wave propagation in a layered waveguide covered by a viscous liquid was formulated and solved. Love waves propagate in an elastic layered waveguide covered on its surface with a viscous (Newtonian) liquid. The inverse problem is formulated as an optimization problem with appropriately constructed objective function that depends on the material properties of an elastic waveguide of the Love wave, material parameters of a liquid (i.e., viscosity and density), and the experimental data. The results of numerical calculations show that Love waves can be efficiently applied to determine simultaneously the physical properties of liquids (i.e., viscosity and density). Sensors based on this method can be very attractive for industrial applications to monitor on-line the parameters (density and viscosity) of process liquid during the course of technological processes, e.g., in polymer industry.

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Well-posed and stable transmission problems

NASA Astrophysics Data System (ADS)

Nordström, Jan; Linders, Viktor

2018-07-01

We introduce the notion of a transmission problem to describe a general class of problems where different dynamics are coupled in time. Well-posedness and stability are analysed for continuous and discrete problems using both strong and weak formulations, and a general transmission condition is obtained. The theory is applied to the coupling of fluid-acoustic models, multi-grid implementations, adaptive mesh refinements, multi-block formulations and numerical filtering.

Accurate orbit propagation in the presence of planetary close encounters

NASA Astrophysics Data System (ADS)

Amato, Davide; Baù, Giulio; Bombardelli, Claudio

2017-09-01

We present an efficient strategy for the numerical propagation of small Solar system objects undergoing close encounters with massive bodies. The trajectory is split into several phases, each of them being the solution of a perturbed two-body problem. Formulations regularized with respect to different primaries are employed in two subsequent phases. In particular, we consider the Kustaanheimo-Stiefel regularization and a novel set of non-singular orbital elements pertaining to the Dromo family. In order to test the proposed strategy, we perform ensemble propagations in the Earth-Sun Circular Restricted 3-Body Problem (CR3BP) using a variable step size and order multistep integrator and an improved version of Everhart's radau solver of 15th order. By combining the trajectory splitting with regularized equations of motion in short-term propagations (1 year), we gain up to six orders of magnitude in accuracy with respect to the classical Cowell's method for the same computational cost. Moreover, in the propagation of asteroid (99942) Apophis through its 2029 Earth encounter, the position error stays within 100 metres after 100 years. In general, as to improve the performance of regularized formulations, the trajectory must be split between 1.2 and 3 Hill radii from the Earth. We also devise a robust iterative algorithm to stop the integration of regularized equations of motion at a prescribed physical time. The results rigorously hold in the CR3BP, and similar considerations may apply when considering more complex models. The methods and algorithms are implemented in the naples fortran 2003 code, which is available online as a GitHub repository.

Nanoemulsion: for improved oral delivery of repaglinide.

PubMed

Akhtar, Juber; Siddiqui, Hefazat Hussain; Fareed, Sheeba; Badruddeen; Khalid, Mohammad; Aqil, Mohammed

2016-07-01

Repaglinide (RPG) is a fast-acting prandial glucose regulator. It acts by stimulating insulin release from pancreatic β-cells. Recurrent dosing of RPG before each meal is burdensome remedy. Hence the plan of the present study was to evaluate nanoemulsion as a hopeful carrier for RPG for persistent hypoglycemic effect. The drug was incorporated into oil phase of nanoemulsion to give improved biopharmaceutical properties as compared to the lipid-based systems. Pseudo ternary phase diagrams were prepared by aqueous titration method. Formulations were selected at a difference of 5% w/w of oil from the o/w nanoemulsion region of phase diagrams. The optimized nanoemulsion formulation constituted sefsol-218 (5% v/v) as an oil phase, 30% v/v of Tween-80 and transcutol as a surfactant and co-surfactant to restrain nanodroplet size and low viscosity and distilled water (65%). In vitro dissolution studies showed higher drug release (98.22%), finest droplet size (76.23 nm), slightest polydispersity value (0.183), least viscosity (21.45 cps) and immeasurable dilution capability from the nanoemulsion as compared with existing oral tablet formulation. The optimized RPG nanoemulsion formulation showed better hypoglycemic effect in comparison to tablet formulation in experimental diabetic rats. No significant variations were also observed in the optimized formulation when subjected to accelerated stability study at different temperature and relative humidity over a period of 3 months.

Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

NASA Technical Reports Server (NTRS)

Ahmad, Shahid

1991-01-01

An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons with available analytical and numerical results, the stability and high accuracy of these dynamic analysis techniques are established.

Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg; Saar, Martin O.

2016-10-01

We present an extended law of mass-action (xLMA) method for multiphase equilibrium calculations and apply it in the context of reactive transport modeling. This extended LMA formulation differs from its conventional counterpart in that (i) it is directly derived from the Gibbs energy minimization (GEM) problem (i.e., the fundamental problem that describes the state of equilibrium of a chemical system under constant temperature and pressure); and (ii) it extends the conventional mass-action equations with Lagrange multipliers from the Gibbs energy minimization problem, which can be interpreted as stability indices of the chemical species. Accounting for these multipliers enables the method to determine all stable phases without presuming their types (e.g., aqueous, gaseous) or their presence in the equilibrium state. Therefore, the here proposed xLMA method inherits traits of Gibbs energy minimization algorithms that allow it to naturally detect the phases present in equilibrium, which can be single-component phases (e.g., pure solids or liquids) or non-ideal multi-component phases (e.g., aqueous, melts, gaseous, solid solutions, adsorption, or ion exchange). Moreover, our xLMA method requires no technique that tentatively adds or removes reactions based on phase stability indices (e.g., saturation indices for minerals), since the extended mass-action equations are valid even when their corresponding reactions involve unstable species. We successfully apply the proposed method to a reactive transport modeling problem in which we use PHREEQC and GEMS as alternative backends for the calculation of thermodynamic properties such as equilibrium constants of reactions, standard chemical potentials of species, and activity coefficients. Our tests show that our algorithm is efficient and robust for demanding applications, such as reactive transport modeling, where it converges within 1-3 iterations in most cases. The proposed xLMA method is implemented in Reaktoro, a unified open-source framework for modeling chemically reactive systems.

Finite element methods for the biomechanics of soft hydrated tissues: nonlinear analysis and adaptive control of meshes.

PubMed

Spilker, R L; de Almeida, E S; Donzelli, P S

1992-01-01

This chapter addresses computationally demanding numerical formulations in the biomechanics of soft tissues. The theory of mixtures can be used to represent soft hydrated tissues in the human musculoskeletal system as a two-phase continuum consisting of an incompressible solid phase (collagen and proteoglycan) and an incompressible fluid phase (interstitial water). We first consider the finite deformation of soft hydrated tissues in which the solid phase is represented as hyperelastic. A finite element formulation of the governing nonlinear biphasic equations is presented based on a mixed-penalty approach and derived using the weighted residual method. Fluid and solid phase deformation, velocity, and pressure are interpolated within each element, and the pressure variables within each element are eliminated at the element level. A system of nonlinear, first-order differential equations in the fluid and solid phase deformation and velocity is obtained. In order to solve these equations, the contributions of the hyperelastic solid phase are incrementally linearized, a finite difference rule is introduced for temporal discretization, and an iterative scheme is adopted to achieve equilibrium at the end of each time increment. We demonstrate the accuracy and adequacy of the procedure using a six-node, isoparametric axisymmetric element, and we present an example problem for which independent numerical solution is available. Next, we present an automated, adaptive environment for the simulation of soft tissue continua in which the finite element analysis is coupled with automatic mesh generation, error indicators, and projection methods. Mesh generation and updating, including both refinement and coarsening, for the two-dimensional examples examined in this study are performed using the finite quadtree approach. The adaptive analysis is based on an error indicator which is the L2 norm of the difference between the finite element solution and a projected finite element solution. Total stress, calculated as the sum of the solid and fluid phase stresses, is used in the error indicator. To allow the finite difference algorithm to proceed in time using an updated mesh, solution values must be transferred to the new nodal locations. This rezoning is accomplished using a projected field for the primary variables. The accuracy and effectiveness of this adaptive finite element analysis is demonstrated using a linear, two-dimensional, axisymmetric problem corresponding to the indentation of a thin sheet of soft tissue. The method is shown to effectively capture the steep gradients and to produce solutions in good agreement with independent, converged, numerical solutions.

Advanced design for orbital debris removal in support of solar system exploration

NASA Technical Reports Server (NTRS)

1991-01-01

The development of an Autonomous Space Processor for Orbital Debris (ASPOD) is the ultimate goal. The craft will process, in situ, orbital debris using resources available in low Earth orbit (LEO). The serious problem of orbital debris is briefly described and the nature of the large debris population is outlined. This year, focus was on development of a versatile robotic manipulator to augment an existing robotic arm; incorporation of remote operation of robotic arms; and formulation of optimal (time and energy) trajectory planning algorithms for coordinating robotic arms. The mechanical design of the new arm is described in detail. The versatile work envelope is explained showing the flexibility of the new design. Several telemetry communication systems are described which will enable the remote operation of the robotic arms. The trajectory planning algorithms are fully developed for both the time-optimal and energy-optimal problem. The optimal problem is solved using phase plane techniques while the energy optimal problem is solved using dynamics programming.

Autonomous space processor for orbital debris

NASA Technical Reports Server (NTRS)

Ramohalli, Kumar; Marine, Micky; Colvin, James; Crockett, Richard; Sword, Lee; Putz, Jennifer; Woelfle, Sheri

1991-01-01

The development of an Autonomous Space Processor for Orbital Debris (ASPOD) was the goal. The nature of this craft, which will process, in situ, orbital debris using resources available in low Earth orbit (LEO) is explained. The serious problem of orbital debris is briefly described and the nature of the large debris population is outlined. The focus was on the development of a versatile robotic manipulator to augment an existing robotic arm, the incorporation of remote operation of the robotic arms, and the formulation of optimal (time and energy) trajectory planning algorithms for coordinated robotic arms. The mechanical design of the new arm is described in detail. The work envelope is explained showing the flexibility of the new design. Several telemetry communication systems are described which will enable the remote operation of the robotic arms. The trajectory planning algorithms are fully developed for both the time optimal and energy optimal problems. The time optimal problem is solved using phase plane techniques while the energy optimal problem is solved using dynamic programming.

Effect of a crystal-melt interface on Taylor-vortex flow

NASA Technical Reports Server (NTRS)

Mcfadden, G. B.; Coriell, S. R.; Murray, B. T.; Glicksman, M. E.; Selleck, M. E.

1990-01-01

The linear stability of circular Couette flow between concentric infinite cylinders is considered for the case that the stationary outer cylinder is a crystal-melt interface rather than a rigid surface. A radial temperature difference is maintained across the liquid gap, and equations for heat transport in the crystal and melt phases are included to extend the ordinary formulation of this problem. The stability of this two-phase system depends on the Prandtl number. For small Prandtl number the linear stability of the two-phase system is given by the classical results for a rigid-walled system. For increasing values of the Prandtl number, convective heat transport becomes significant and the system becomes increasingly less stable. Previous results in a narrow-gap approximation are extended to the case of a finite gap, and both axisymmetric and nonaxisymmetric disturbance modes are considered. The two-phase system becomes less stable as the finite gap tends to the narrow-gap limit. The two-phase system is more stable to nonaxisymmetric modes with azimuthal wavenumber n = 1; the stability of these n = 1 modes is sensitive to the latent heat of fusion.

Characterization Of Improved Binary Phase-Only Filters In A Real-Time Coherent Optical Correlation System

NASA Astrophysics Data System (ADS)

Flannery, D.; Keller, P.; Cartwright, S.; Loomis, J.

1987-06-01

Attractive correlation system performance potential is possible using magneto-optic spatial light modulators (SLM) to implement binary phase-only reference filters at high rates, provided the correlation performance of such reduced-information-content filters is adequate for the application. In the case studied here, the desired filter impulse response is a rectangular shape, which cannot be achieved with the usual binary phase-only filter formulation. The correlation application problem is described and techniques for synthesizing improved filter impulse response are considered. A compromise solution involves the cascading of a fixed amplitude-only weighting mask with the binary phase-only SLM. Based on simulations presented, this approach provides improved impulse responses and good correlation performance, while retaining the critical feature of real-time variations of the size, shape, and orientation of the rectangle by electronic programming of the phase pattern in the SLM. Simulations indicate that, for at least one very challenging input scene clutter situation, these filters provide higher correlation signal-to-noise than does "ideal" correlation, i.e. using a perfect rectangle filter response.

Critical conditions for the buoyancy-driven detachment of a wall-bound pendant drop

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2016-03-01

We investigate numerically the critical conditions for detachment of an isolated, wall-bound emulsion droplet acted upon by surface tension and wall-normal buoyancy forces alone. To that end, we present a simple extension of a diffuse-interface model for partially miscible binary mixtures that was previously employed for simulating several two-phase flow phenomena far and near the critical point [A. G. Lamorgese et al. "Phase-field approach to multiphase flow modeling," Milan J. Math. 79(2), 597-642 (2011)] to allow for static contact angles other than 90°. We use the same formulation of the Cahn boundary condition as first proposed by Jacqmin ["Contact-line dynamics of a diffuse fluid interface," J. Fluid Mech. 402, 57-88 (2000)], which accommodates a cubic (Hermite) interpolation of surface tensions between the wall and each phase at equilibrium. We show that this model can be successfully employed for simulating three-phase contact line problems in stable emulsions with nearly immiscible components. We also show a numerical determination of critical Bond numbers as a function of static contact angle by phase-field simulation.

Application of various elastic thin shell theories to blood flow problems

NASA Technical Reports Server (NTRS)

1972-01-01

Some existing theories, on elastic thin shells, are reviewed to ascertain their influence on the computation of phase velocities in fluid filled cylinders representing certain aspects of the behavior of arteries and veins in vivo. For physiologically meaningful parameters, including moderately large in plane prestrain that occurs in mammals, the results suggest that with one exception, the small differences in the formulations exercise little influence on the phase velocities. However, it is demonstrated that inclusion of the forces induced by the rotation of the hydrostatic pressure is essential or significantly erroneous torsional wave speeds result. Also the introduction of moderate implane prestrains that are present in living mammals is shown to lead to nonselfadjoint differential equations of motion, whose biorthogonal eigenvectors differ slightly from each other.

A Preliminary Study on the Vapor/Mist Phase Lubrication of a Spur Gearbox

NASA Technical Reports Server (NTRS)

Morales, Wilfredo; Handschuh, Robert F.

1999-01-01

Organophosphates have been the primary compounds used in vapor/mist phase lubrication studies involving ferrous bearing material. Experimental results have indicated that the initial formation of an iron phosphate film on a rubbing ferrous surface, followed by the growth (by cationic diffusion) of a lubricious pyrophosphate-type coating over the iron phosphate, is the reason organophosphates work well as vapor/mist phase lubricants. Recent work, however, has shown that this mechanism leads to the depletion of surface iron atoms and to eventual lubrication failure. A new organophosphate formulation was developed which circumvents surface iron depletion. This formulation was tested by generating an iron phosphate coating on an aluminum surface. The new formulation was then used to vapor/mist phase lubricate a spur gearbox in a preliminary study.

36 CFR 906.4 - Formulation of affirmative action plan.

Code of Federal Regulations, 2011 CFR

2011-07-01

... CORPORATION AFFIRMATIVE ACTION POLICY AND PROCEDURE Development Program § 906.4 Formulation of affirmative action plan. (a) The developer, in formulating the Affirmative Action Plan, should consider all phases of... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Formulation of affirmative...

Development of a discriminative biphasic in vitro dissolution test and correlation with in vivo pharmacokinetic studies for differently formulated racecadotril granules.

PubMed

Deng, Jia; Staufenbiel, Sven; Hao, Shilei; Wang, Bochu; Dashevskiy, Andriy; Bodmeier, Roland

2017-06-10

The purpose of this study was to discriminate the release behavior from three differently formulated racecadotril (BCS II) granules and to establish an in vitro-in vivo correlation. Three granule formulations of the lipophilic drug were prepared with equivalent composition but prepared with different manufacturing processes (dry granulation, wet granulation with or without binder). In vitro release of the three granules was investigated using a biphasic dissolution system (phosphate buffer pH6.8 and octanol) and compared to the conventional single phase USP II dissolution test performed under sink and non-sink conditions. In vivo studies with each granule formulation were performed in rats. Interestingly, the granule formulations exhibited pronouncedly different behavior in the different dissolution systems depending on different wetting and dissolution conditions. Single phase USP II dissolution tests lacked discrimination. In contrast, remarkable discrimination between the granule formulations was observed in the octanol phase of biphasic dissolution system with a rank order of release from granules prepared by wet granulation with binder>wet granulation without binder>dry granulation. This release order correlated well with the wettability of these granules. An excellent correlation was also established between in vitro release in the octanol phase of the biphasic test and in vivo data (R 2 =0.999). Compared to conventional dissolution methods, the biphasic method provides great potential to discriminate between only minor formulation and process changes within the same dosage form for poorly soluble drugs. Copyright © 2017 Elsevier B.V. All rights reserved.

Superconducting magnetic bearings with bulks and 2G HTS stacks: comparison between simulations using H and A-V formulations with measurements

NASA Astrophysics Data System (ADS)

Sass, F.; Dias, D. H. N.; Sotelo, G. G.; Junior, R. de Andrade

2018-07-01

A-V and H are two of the most widespread formulations applied in the literature to calculate current distribution in high-temperature superconductors (HTSs). Both formulations can successfully solve problems related to large-scale HTS applications, but the way to implement the calculations is different. In recent years, several authors have chosen the H formulation to solve problems related to HTS applications. This choice can probably be attributed to the easy implementation of the H formulation with the aid of commercial finite element method (FEM) software, producing precise results and performing fast calculations. In a previous work, we proposed the use of the H formulation to solve superconducting magnetic bearing (SMB) problems. However, most of the SMB simulations presented in the literature are solved using the A-V formulation implemented with the finite difference method (FDM). Which of these two techniques is more suitable for superconducting magnetic bearing applications? This paper aims to answer this question. In order to do so, an experimental rig was developed to test SMBs using YBCO bulks or stacks of coated conductors. The simulated levitation force results from the A-V formulation using FDM and from the H formulation using FEM were compared with the experimental data. In general, the calculation time and the results error obtained with both formulations are comparable. It is worth mentioning that the main contribution of this paper is to present improvements to reduce the A-V formulation computational time and details of how to implement it using FDM in any platform. For this reason, most of this work is about the A-V formulation, while the H formulation is just presented for comparison.

A RP-LC method with evaporative light scattering detection for the assay of simethicone in pharmaceutical formulations.

PubMed

Moore, Douglas E; Liu, Tina X; Miao, William G; Edwards, Alison; Elliss, Russell

2002-09-05

A reversed-phase liquid chromatographic method has been developed and validated for the determination of the polydimethylsiloxane (PDMS) component of Simethicone, which is used as an anti-foaming agent in pharmaceutical formulations. The method involves acidification to neutralise antacid components of the formulation, then a single extraction of the PDMS with dichloromethane. This is followed by separation with a reversed-phase column using an acetonitrile-chloroform solvent gradient, and quantification by an evaporative light scattering detector. An assay precision of 3% was achieved in intraday and interday determinations. No interference was found from the aluminium and magnesium hydroxide components of antacid formulations.

Formulation and evaluation of flurbiprofen microemulsion.

PubMed

Ambade, K W; Jadhav, S L; Gambhire, M N; Kurmi, S D; Kadam, V J; Jadhav, K R

2008-01-01

The purpose of the present study was to investigate the microemulsion formulations for topical delivery of Flurbiprofen (FP) in order to by pass its gastrointestinal adverse effects. The pseudoternary phase diagrams were developed and various microemulsion formulations were prepared using Isopropyl Myristate (IPM), Ethyl Oleate (EO) as oils, Aerosol OT as surfactant and Sorbitan Monooleate as cosurfactant. The transdermal permeability of flurbiprofen from microemulsions containing IPM and EO as two different oil phases was analyzed using Keshary-Chien diffusion cell through excised rat skin. Flurbiprofen showed higher in vitro permeation from IPM as compared to that of from EO microemulsion. Thus microemulsion containing IPM as oil phase were selected for optimization. The optimization was carried out using 2(3) factorial design. The optimized formula was then subjected to in vivo anti-inflammatory study and the performance of flurbiprofen from optimized formulation was compared with that of gel cream. Flurbiprofen from optimized microemulsion formulation was found to be more effective as compared to gel cream in inhibiting the carrageenan induced rat paw edema at all time intervals. Histopathological investigation of rat skin revealed the safety of microemulsion formulation for topical use. Thus the present study indicates that, microemulsion can be a promising vehicle for the topical delivery of flurbiprofen.

Optimal routing of coordinated aircraft to Identify moving surface contacts

DTIC Science & Technology

2017-06-01

Time TAO Tactical Action Officer TSP Traveling Salesman Problem TSPTW TSP with Time Windows UAV unmanned aerial vehicle VRP Vehicle Routing...Orienteering Problem (OP), while the ORCA TI formulation follows the structure of a time dependent Traveling Salesman Problem (TSP), or a time dependent...Fox, Kenneth R., Bezalel Gavish, and Stephen C. Graves. 1980. “An n- Constraint Formulation of the ( Time Dependent) Traveling Salesman Problem

Rayleigh convective instability in the presence of phase transitions of water vapor. The formation of large-scale eddies and cloud structures

NASA Astrophysics Data System (ADS)

Shmerlin, B. Ya; Kalashnik, M. V.

2013-05-01

Convective motions in moist saturated air are accompanied by the release of latent heat of condensation. Taking this effect into account, we consider the problem of convective instability of a moist saturated air layer, generalizing the formulation of the classical Rayleigh problem. An analytic solution demonstrating the fundamental difference between moist convection and Rayleigh convection is obtained. Upon losing stability in the two-dimensional case, localized convective rolls or spatially periodic chains of rollers with localized areas of upward motion evolve. In the case of axial symmetry, the growth of localized convective vortices with circulation characteristic of tropical cyclones (hurricanes) is possible at the early stages of development and on the scale of tornados to tropical cyclones.

Evidence-informed policy formulation and implementation: a comparative case study of two national policies for improving health and social care in Sweden.

PubMed

Strehlenert, H; Richter-Sundberg, L; Nyström, M E; Hasson, H

2015-12-08

Evidence has come to play a central role in health policymaking. However, policymakers tend to use other types of information besides research evidence. Most prior studies on evidence-informed policy have focused on the policy formulation phase without a systematic analysis of its implementation. It has been suggested that in order to fully understand the policy process, the analysis should include both policy formulation and implementation. The purpose of the study was to explore and compare two policies aiming to improve health and social care in Sweden and to empirically test a new conceptual model for evidence-informed policy formulation and implementation. Two concurrent national policies were studied during the entire policy process using a longitudinal, comparative case study approach. Data was collected through interviews, observations, and documents. A Conceptual Model for Evidence-Informed Policy Formulation and Implementation was developed based on prior frameworks for evidence-informed policymaking and policy dissemination and implementation. The conceptual model was used to organize and analyze the data. The policies differed regarding the use of evidence in the policy formulation and the extent to which the policy formulation and implementation phases overlapped. Similarities between the cases were an emphasis on capacity assessment, modified activities based on the assessment, and a highly active implementation approach relying on networks of stakeholders. The Conceptual Model for Evidence-Informed Policy Formulation and Implementation was empirically useful to organize the data. The policy actors' roles and functions were found to have a great influence on the choices of strategies and collaborators in all policy phases. The Conceptual Model for Evidence-Informed Policy Formulation and Implementation was found to be useful. However, it provided insufficient guidance for analyzing actors involved in the policy process, capacity-building strategies, and overlapping policy phases. A revised version of the model that includes these aspects is suggested.

A comparative study on stress and compliance based structural topology optimization

NASA Astrophysics Data System (ADS)

Hailu Shimels, G.; Dereje Engida, W.; Fakhruldin Mohd, H.

2017-10-01

Most of structural topology optimization problems have been formulated and solved to either minimize compliance or weight of a structure under volume or stress constraints, respectively. Even if, a lot of researches are conducted on these two formulation techniques separately, there is no clear comparative study between the two approaches. This paper intends to compare these formulation techniques, so that an end user or designer can choose the best one based on the problems they have. Benchmark problems under the same boundary and loading conditions are defined, solved and results are compared based on these formulations. Simulation results shows that the two formulation techniques are dependent on the type of loading and boundary conditions defined. Maximum stress induced in the design domain is higher when the design domains are formulated using compliance based formulations. Optimal layouts from compliance minimization formulation has complex layout than stress based ones which may lead the manufacturing of the optimal layouts to be challenging. Optimal layouts from compliance based formulations are dependent on the material to be distributed. On the other hand, optimal layouts from stress based formulation are dependent on the type of material used to define the design domain. High computational time for stress based topology optimization is still a challenge because of the definition of stress constraints at element level. Results also shows that adjustment of convergence criterions can be an alternative solution to minimize the maximum stress developed in optimal layouts. Therefore, a designer or end user should choose a method of formulation based on the design domain defined and boundary conditions considered.

Application of different variants of the BEM in numerical modeling of bioheat transfer problems.

PubMed

Majchrzak, Ewa

2013-09-01

Heat transfer processes proceeding in the living organisms are described by the different mathematical models. In particular, the typical continuous model of bioheat transfer bases on the most popular Pennes equation, but the Cattaneo-Vernotte equation and the dual phase lag equation are also used. It should be pointed out that in parallel are also examined the vascular models, and then for the large blood vessels and tissue domain the energy equations are formulated separately. In the paper the different variants of the boundary element method as a tool of numerical solution of bioheat transfer problems are discussed. For the steady state problems and the vascular models the classical BEM algorithm and also the multiple reciprocity BEM are presented. For the transient problems connected with the heating of tissue, the various tissue models are considered for which the 1st scheme of the BEM, the BEM using discretization in time and the general BEM are applied. Examples of computations illustrate the possibilities of practical applications of boundary element method in the scope of bioheat transfer problems.

Compromise decision support problems for hierarchical design involving uncertainty

NASA Astrophysics Data System (ADS)

Vadde, S.; Allen, J. K.; Mistree, F.

1994-08-01

In this paper an extension to the traditional compromise Decision Support Problem (DSP) formulation is presented. Bayesian statistics is used in the formulation to model uncertainties associated with the information being used. In an earlier paper a compromise DSP that accounts for uncertainty using fuzzy set theory was introduced. The Bayesian Decision Support Problem is described in this paper. The method for hierarchical design is demonstrated by using this formulation to design a portal frame. The results are discussed and comparisons are made with those obtained using the fuzzy DSP. Finally, the efficacy of incorporating Bayesian statistics into the traditional compromise DSP formulation is discussed and some pending research issues are described. Our emphasis in this paper is on the method rather than the results per se.

A computational analysis of lower bounds for the economic lot sizing problem in remanufacturing with separate setups

NASA Astrophysics Data System (ADS)

Aishah Syed Ali, Sharifah

2017-09-01

This paper considers economic lot sizing problem in remanufacturing with separate setup (ELSRs), where remanufactured and new products are produced on dedicated production lines. Since this problem is NP-hard in general, which leads to computationally inefficient and low-quality of solutions, we present (a) a multicommodity formulation and (b) a strengthened formulation based on a priori addition of valid inequalities in the space of original variables, which are then compared with the Wagner-Whitin based formulation available in the literature. Computational experiments on a large number of test data sets are performed to evaluate the different approaches. The numerical results show that our strengthened formulation outperforms all the other tested approaches in terms of linear relaxation bounds. Finally, we conclude with future research directions.

A novel approach in formulation of special transition elements: Mesh interface elements

NASA Technical Reports Server (NTRS)

Sarigul, Nesrin

1991-01-01

The objective of this research program is in the development of more accurate and efficient methods for solution of singular problems encountered in various branches of mechanics. The research program can be categorized under three levels. The first two levels involve the formulation of a new class of elements called 'mesh interface elements' (MIE) to connect meshes of traditional elements either in three dimensions or in three and two dimensions. The finite element formulations are based on boolean sum and blending operators. MEI are being formulated and tested in this research to account for the steep gradients encountered in aircraft and space structure applications. At present, the heat transfer and structural analysis problems are being formulated from uncoupled theory point of view. The status report: (1) summarizes formulation for heat transfer and structural analysis; (2) explains formulation of MEI; (3) examines computational efficiency; and (4) shows verification examples.

Need for appropriate formulations for children: the national institute of child health and human development-pediatric formulations initiative, part 1.

PubMed

Giacoia, George P; Taylor-Zapata, Perdita; Mattison, Donald

2007-01-01

The development and compounding of pharmacotherapeutic formulations that are suitable for infants and young children can be a challenging problem. This problem results from the lack of knowledge on the acceptability of different dosage forms and formulations in children in relation to age and developmental status, as well as the lack of reliable documentation of formulations used in pediatric clinical trials. As part of its mandate under the Best Pharmaceuticals for Children Act to improve pediatric therapeutics, the National Institute of Child Health and Human Development has sponsored the Pediatric Formulation Initiative. The goal of this ongoing initiative is to address the issues and concnerns associated with pediatric therapeutics by convening groups of researchers and experts in pediatric formulations from academia, pharmaceutical companies, the National Institutes of Health, and the U.S. Food and Drug Administration.

Element free Galerkin formulation of composite beam with longitudinal slip

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

Ahmad, Dzulkarnain; Mokhtaram, Mokhtazul Haizad; Badli, Mohd Iqbal

2015-05-15

Behaviour between two materials in composite beam is assumed partially interact when longitudinal slip at its interfacial surfaces is considered. Commonly analysed by the mesh-based formulation, this study used meshless formulation known as Element Free Galerkin (EFG) method in the beam partial interaction analysis, numerically. As meshless formulation implies that the problem domain is discretised only by nodes, the EFG method is based on Moving Least Square (MLS) approach for shape functions formulation with its weak form is developed using variational method. The essential boundary conditions are enforced by Langrange multipliers. The proposed EFG formulation gives comparable results, after beenmore » verified by analytical solution, thus signify its application in partial interaction problems. Based on numerical test results, the Cubic Spline and Quartic Spline weight functions yield better accuracy for the EFG formulation, compares to other proposed weight functions.« less

Optimal fabrication processes for unidirectional metal-matrix composites: A computational simulation

NASA Technical Reports Server (NTRS)

Saravanos, D. A.; Murthy, P. L. N.; Morel, M.

1990-01-01

A method is proposed for optimizing the fabrication process of unidirectional metal matrix composites. The temperature and pressure histories are optimized such that the residual microstresses of the composite at the end of the fabrication process are minimized and the material integrity throughout the process is ensured. The response of the composite during the fabrication is simulated based on a nonlinear micromechanics theory. The optimal fabrication problem is formulated and solved with non-linear programming. Application cases regarding the optimization of the fabrication cool-down phases of unidirectional ultra-high modulus graphite/copper and silicon carbide/titanium composites are presented.

Optimal fabrication processes for unidirectional metal-matrix composites - A computational simulation

NASA Technical Reports Server (NTRS)

Saravanos, D. A.; Murthy, P. L. N.; Morel, M.

1990-01-01

A method is proposed for optimizing the fabrication process of unidirectional metal matrix composites. The temperature and pressure histories are optimized such that the residual microstresses of the composite at the end of the fabrication process are minimized and the material integrity throughout the process is ensured. The response of the composite during the fabrication is simulated based on a nonlinear micromechanics theory. The optimal fabrication problem is formulated and solved with nonlinear programming. Application cases regarding the optimization of the fabrication cool-down phases of unidirectional ultra-high modulus graphite/copper and silicon carbide/titanium composites are presented.

Analytical formulation of selected activities of the remote manipulator system

NASA Technical Reports Server (NTRS)

Zimmerman, K. J.

1977-01-01

Existing analysis of Orbiter-RMS-Payload kinematics were surveyed, including equations dealing with the two body kinematics in the presence of a massless RMS and compares analytical explicit solutions with numerical solutions. For the following operational phases of the RMS numerical demonstration, problems are provided: (1) payload capture; (2) payload stowage and removal from cargo bay; and (3) payload deployment. The equation of motion provided accounted for RMS control forces and torque moments and could be extended to RMS flexibility and control loop simulation without increasing the degrees of freedom of the two body system.

A coupled problem of finite deformation and flow in porous media

NASA Astrophysics Data System (ADS)

Moussa, A. B.

1980-06-01

A theory for deformation and two phase flow in porous media was developed. Equations of balance of mass, momentum, moment of momentum and energy for each constituent were postulated. These led to equivalent balance equations for the mixture as a whole to which an entropy production inequality was also postulated. The formulation was then applied to the silage material. A constitutive theory was developed for the mixture. General appropriate constitutive assumptions were suggested and made to satisfy the axiom of material objectivity and entropy production inequality. Material incompressibility was defined and introduced into the general form of constitutive relations.

Evaluation of the Hemodynamic Effects of Intravenous Amiodarone Formulations During the Maintenance Phase Infusion.

PubMed

Lindquist, Desirae E; Rowe, A Shaun; Heidel, Eric; Fleming, Travis; Yates, John R

2015-12-01

Two of the excipients in intravenous formulations of amiodarone, polysorbate 80 and benzyl alcohol, have been shown to cause hypotension. A newer formulation of amiodarone, which contains cyclodextrin, is devoid of these excipients. To evaluate the change in mean arterial pressure when utilizing 2 intravenous amiodarone formulations. This was a retrospective cohort analysis conducted at an academic medical center. Patients received intravenous amiodarone containing either polysorbate 80/benzyl alcohol (control) or cyclodextrin (cyclodextrin). Patients received these formulations based on a standard institutional protocol of 1 mg/min for 6 hours, followed by 0.5 mg/min for at least 18 hours or until discontinued by the provider. All data were collected from the medical record and included changes in blood pressures, time to lowest systolic blood pressure, concurrent antihypertensive use, and number of patients requiring treatment for hypotension. A total of 160 patients (120 control, 40 cyclodextrin) were included. There was a statistically significant difference in mean arterial pressure between the groups receiving the control formulation of amiodarone compared with the cyclodextrin formulation across the 24-hour maintenance phase infusion (P < 0.001). There was a significant difference between formulations with regard to the change in mean arterial pressure during the 0- to 6-hour and 12- to 18-hour time blocks. There was a statistically significant difference in the number of patients receiving fluid boluses for treatment of hypotension (P = 0.001). The excipients in the formulation of intravenous amiodarone may have a significant role in the hypotensive effects seen throughout the duration the maintenance phase infusion. © The Author(s) 2015.

Nine formulations of quantum mechanics

NASA Astrophysics Data System (ADS)

Styer, Daniel F.; Balkin, Miranda S.; Becker, Kathryn M.; Burns, Matthew R.; Dudley, Christopher E.; Forth, Scott T.; Gaumer, Jeremy S.; Kramer, Mark A.; Oertel, David C.; Park, Leonard H.; Rinkoski, Marie T.; Smith, Clait T.; Wotherspoon, Timothy D.

2002-03-01

Nine formulations of nonrelativistic quantum mechanics are reviewed. These are the wavefunction, matrix, path integral, phase space, density matrix, second quantization, variational, pilot wave, and Hamilton-Jacobi formulations. Also mentioned are the many-worlds and transactional interpretations. The various formulations differ dramatically in mathematical and conceptual overview, yet each one makes identical predictions for all experimental results.

A robust component mode synthesis method for stochastic damped vibroacoustics

NASA Astrophysics Data System (ADS)

Tran, Quang Hung; Ouisse, Morvan; Bouhaddi, Noureddine

2010-01-01

In order to reduce vibrations or sound levels in industrial vibroacoustic problems, the low-cost and efficient way consists in introducing visco- and poro-elastic materials either on the structure or on cavity walls. Depending on the frequency range of interest, several numerical approaches can be used to estimate the behavior of the coupled problem. In the context of low frequency applications related to acoustic cavities with surrounding vibrating structures, the finite elements method (FEM) is one of the most efficient techniques. Nevertheless, industrial problems lead to large FE models which are time-consuming in updating or optimization processes. A classical way to reduce calculation time is the component mode synthesis (CMS) method, whose classical formulation is not always efficient to predict dynamical behavior of structures including visco-elastic and/or poro-elastic patches. Then, to ensure an efficient prediction, the fluid and structural bases used for the model reduction need to be updated as a result of changes in a parametric optimization procedure. For complex models, this leads to prohibitive numerical costs in the optimization phase or for management and propagation of uncertainties in the stochastic vibroacoustic problem. In this paper, the formulation of an alternative CMS method is proposed and compared to classical ( u, p) CMS method: the Ritz basis is completed with static residuals associated to visco-elastic and poro-elastic behaviors. This basis is also enriched by the static response of residual forces due to structural modifications, resulting in a so-called robust basis, also adapted to Monte Carlo simulations for uncertainties propagation using reduced models.

Influence of humidity on the phase behavior of API/polymer formulations.

PubMed

Prudic, Anke; Ji, Yuanhui; Luebbert, Christian; Sadowski, Gabriele

2015-08-01

Amorphous formulations of APIs in polymers tend to absorb water from the atmosphere. This absorption of water can induce API recrystallization, leading to reduced long-term stability during storage. In this work, the phase behavior of different formulations was investigated as a function of relative humidity. Indomethacin and naproxen were chosen as model APIs and poly(vinyl pyrrolidone) (PVP) and poly(vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) as excipients. The formulations were prepared by spray drying. The water sorption in pure polymers and in formulations was measured at 25°C and at different values of relative humidity (RH=25%, 50% and 75%). Most water was absorbed in PVP-containing systems, and water sorption was decreasing with increasing API content. These trends could also be predicted in good agreement with the experimental data using the thermodynamic model PC-SAFT. Furthermore, the effect of absorbed water on API solubility in the polymer and on the glass-transition temperature of the formulations was predicted with PC-SAFT and the Gordon-Taylor equation, respectively. The absorbed water was found to significantly decrease the API solubility in the polymer as well as the glass-transition temperature of the formulation. Based on a quantitative modeling of the API/polymer phase diagrams as a function of relative humidity, appropriate API/polymer compositions can now be selected to ensure long-term stable amorphous formulations at given storage conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

Formulating Independent School K-12 Quality Physical Education Program Guidelines

ERIC Educational Resources Information Center

Currie, Stuart M.; Phillips, Michael B.; Jubenville, Colby B.

2012-01-01

The purpose of this study was to formulate Tennessee independent school K-12 quality physical education program guidelines. A panel of 18 physical education representatives from Tennessee independent schools K-12 participated in a three-phase Delphi study and completed three opinionnaires via e-mail. In Phase One, Opinionnaire One solicited panel…

Zonal-flow dynamics from a phase-space perspective

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

Ruiz, D. E.; Parker, J. B.; Shi, E. L.

The wave kinetic equation (WKE) describing drift-wave (DW) turbulence is widely used in the studies of zonal flows (ZFs) emerging from DW turbulence. But, this formulation neglects the exchange of enstrophy between DWs and ZFs and also ignores effects beyond the geometrical-optics limit. Furthermore, we derive a modified theory that takes both of these effects into account, while still treating DW quanta (“driftons”) as particles in phase space. The drifton dynamics is described by an equation of the Wigner–Moyal type, which is commonly known in the phase-space formulation of quantum mechanics. In the geometrical-optics limit, this formulation features additional termsmore » missing in the traditional WKE that ensure exact conservation of the total enstrophy of the system, in addition to the total energy, which is the only conserved invariant in previous theories based on the WKE. We present numerical simulations to illustrate the importance of these additional terms. The proposed formulation can be considered as a phase-space representation of the second-order cumulant expansion, or CE2.« less

Zonal-flow dynamics from a phase-space perspective

DOE PAGES

Ruiz, D. E.; Parker, J. B.; Shi, E. L.; ...

2016-12-16

The wave kinetic equation (WKE) describing drift-wave (DW) turbulence is widely used in the studies of zonal flows (ZFs) emerging from DW turbulence. But, this formulation neglects the exchange of enstrophy between DWs and ZFs and also ignores effects beyond the geometrical-optics limit. Furthermore, we derive a modified theory that takes both of these effects into account, while still treating DW quanta (“driftons”) as particles in phase space. The drifton dynamics is described by an equation of the Wigner–Moyal type, which is commonly known in the phase-space formulation of quantum mechanics. In the geometrical-optics limit, this formulation features additional termsmore » missing in the traditional WKE that ensure exact conservation of the total enstrophy of the system, in addition to the total energy, which is the only conserved invariant in previous theories based on the WKE. We present numerical simulations to illustrate the importance of these additional terms. The proposed formulation can be considered as a phase-space representation of the second-order cumulant expansion, or CE2.« less

Problem formulation, metrics, open government, and on-line collaboration

NASA Astrophysics Data System (ADS)

Ziegler, C. R.; Schofield, K.; Young, S.; Shaw, D.

2010-12-01

Problem formulation leading to effective environmental management, including synthesis and application of science by government agencies, may benefit from collaborative on-line environments. This is illustrated by two interconnected projects: 1) literature-based evidence tools that support causal assessment and problem formulation, and 2) development of output, outcome, and sustainability metrics for tracking environmental conditions. Specifically, peer-production mechanisms allow for global contribution to science-based causal evidence databases, and subsequent crowd-sourced development of causal networks supported by that evidence. In turn, science-based causal networks may inform problem formulation and selection of metrics or indicators to track environmental condition (or problem status). Selecting and developing metrics in a collaborative on-line environment may improve stakeholder buy-in, the explicit relevance of metrics to planning, and the ability to approach problem apportionment or accountability, and to define success or sustainability. Challenges include contribution governance, data-sharing incentives, linking on-line interfaces to data service providers, and the intersection of environmental science and social science. Degree of framework access and confidentiality may vary by group and/or individual, but may ultimately be geared at demonstrating connections between science and decision making and supporting a culture of open government, by fostering transparency, public engagement, and collaboration.

The inverse problems of wing panel manufacture processes

NASA Astrophysics Data System (ADS)

Oleinikov, A. I.; Bormotin, K. S.

2013-12-01

It is shown that inverse problems of steady-state creep bending of plates in both the geometrically linear and nonlinear formulations can be represented in a variational formulation. Steady-state values of the obtained functionals corresponding to the solutions of the problems of inelastic deformation and springback are determined by applying a finite element procedure to the functionals. Optimal laws of creep deformation are formulated using the criterion of minimizing damage in the functionals of the inverse problems. The formulated problems are reduced to the problems solved by the finite element method using MSC.Marc software. Currently, forming of light metals poses tremendous challenges due to their low ductility at room temperature and their unusual deformation characteristics at hot-cold work: strong asymmetry between tensile and compressive behavior, and a very pronounced anisotropy. We used the constitutive models of steady-state creep of initially transverse isotropy structural materials the kind of the stress state has influence. The paper gives basics of the developed computer-aided system of design, modeling, and electronic simulation targeting the processes of manufacture of wing integral panels. The modeling results can be used to calculate the die tooling, determine the panel processibility, and control panel rejection in the course of forming.

IRIS Assessment Plan for Uranium (Scoping and Problem Formulation Materials)

EPA Science Inventory

In January 2018, EPA released the IRIS Assessment Plan for Uranium (Oral Reference Dose) (Scoping and Problem Formulation Materials). An IRIS Assessment Plan (IAP) communicates to the public the plan for assessing each individual chemical and includes summary informatio...

Multi-object tracking of human spermatozoa

NASA Astrophysics Data System (ADS)

Sørensen, Lauge; Østergaard, Jakob; Johansen, Peter; de Bruijne, Marleen

2008-03-01

We propose a system for tracking of human spermatozoa in phase-contrast microscopy image sequences. One of the main aims of a computer-aided sperm analysis (CASA) system is to automatically assess sperm quality based on spermatozoa motility variables. In our case, the problem of assessing sperm quality is cast as a multi-object tracking problem, where the objects being tracked are the spermatozoa. The system combines a particle filter and Kalman filters for robust motion estimation of the spermatozoa tracks. Further, the combinatorial aspect of assigning observations to labels in the particle filter is formulated as a linear assignment problem solved using the Hungarian algorithm on a rectangular cost matrix, making the algorithm capable of handling missing or spurious observations. The costs are calculated using hidden Markov models that express the plausibility of an observation being the next position in the track history of the particle labels. Observations are extracted using a scale-space blob detector utilizing the fact that the spermatozoa appear as bright blobs in a phase-contrast microscope. The output of the system is the complete motion track of each of the spermatozoa. Based on these tracks, different CASA motility variables can be computed, for example curvilinear velocity or straight-line velocity. The performance of the system is tested on three different phase-contrast image sequences of varying complexity, both by visual inspection of the estimated spermatozoa tracks and by measuring the mean squared error (MSE) between the estimated spermatozoa tracks and manually annotated tracks, showing good agreement.

Unconditionally stable, second-order accurate schemes for solid state phase transformations driven by mechano-chemical spinodal decomposition

DOE PAGES

Sagiyama, Koki; Rudraraju, Shiva; Garikipati, Krishna

2016-09-13

Here, we consider solid state phase transformations that are caused by free energy densities with domains of non-convexity in strain-composition space; we refer to the non-convex domains as mechano-chemical spinodals. The non-convexity with respect to composition and strain causes segregation into phases with different crystal structures. We work on an existing model that couples the classical Cahn-Hilliard model with Toupin’s theory of gradient elasticity at finite strains. Both systems are represented by fourth-order, nonlinear, partial differential equations. The goal of this work is to develop unconditionally stable, second-order accurate time-integration schemes, motivated by the need to carry out large scalemore » computations of dynamically evolving microstructures in three dimensions. We also introduce reduced formulations naturally derived from these proposed schemes for faster computations that are still second-order accurate. Although our method is developed and analyzed here for a specific class of mechano-chemical problems, one can readily apply the same method to develop unconditionally stable, second-order accurate schemes for any problems for which free energy density functions are multivariate polynomials of solution components and component gradients. Apart from an analysis and construction of methods, we present a suite of numerical results that demonstrate the schemes in action.« less

Collaboration versus communication: The Department of Energy's Amchitka Island and the Aleut Community.

PubMed

Burger, Joanna; Gochfeld, Michael; Pletnikoff, Karen

2009-05-01

Increasingly managers and scientists are recognizing that solving environmental problems requires the inclusion of a wide range of disciplines, governmental agencies, Native American tribes, and other stakeholders. Usually such inclusion involves communication at the problem-formulation phase, and at the end to report findings. This paper examines participatory research, the differences between the traditional stakeholder involvement method of communication (often one-way, at the beginning and the end), compared to full collaboration, where parties are actively involved in the scientific process. Using the Department of Energy's (DOE) Amchitka Island in the Aleutians as a case study, we demonstrate that the inclusion of Aleut people throughout the process resulted in science that was relevant not only to the agency's needs and to the interested and affected parties, but that led to a solution. Amchitka Island was the site of three underground nuclear tests from 1965 to 1971, and virtually no testing of radionuclide levels in biota, subsistence foods, or commercial fish was conducted after the 1970s. When DOE announced plans to close Amchitka, terminating its managerial responsibility, without any further testing of radionuclide levels in biota, there was considerable controversy, which resulted in the development of a Science Plan to assess the potential risks to the marine environment from the tests. The Consortium for Risk Evaluation with Stakeholder Participation (CRESP) was the principle entity that developed and executed the science plan. Unlike traditional science, CRESP embarked on a process to include the Alaskan Natives of the Aleutian Islands (Aleuts), relevant state and federal agencies, and other stakeholders at every phase. Aleuts were included in the problem-formulation, research design refinement, the research, analysis of data, dissemination of research findings, and public communication. This led to agreement with the results, and to developing a path forward (production of a biomonitoring plan designed to provide early warning of any future radionuclide leakage and ecosystem/human health risks). The process outlined was successful in resolving a previously contentious situation by inclusion and collaboration with the Aleuts, among others, and could be usefully applied elsewhere to complex environmental problems where severe data gaps exist.

Collaboration versus communication: The Department of Energy’s Amchitka Island and the Aleut Community

PubMed Central

Burger, Joanna; Gochfeld, Michael; Pletnikoff, Karen

2014-01-01

Increasingly managers and scientists are recognizing that solving environmental problems requires the inclusion of a wide range of disciplines, governmental agencies, Native American tribes, and other stakeholders. Usually such inclusion involves communication at the problem-formulation phase, and at the end to report findings. This paper examines participatory research, the differences between the traditional stakeholder involvement method of communication (often one-way, at the beginning and the end), compared to full collaboration, where parties are actively involved in the scientific process. Using the Department of Energy’s (DOE) Amchitka Island in the Aleutians as a case study, we demonstrate that the inclusion of Aleut people throughout the process resulted in science that was relevant not only to the agency’s needs and to the interested and affected parties, but that led to a solution. Amchitka Island was the site of three underground nuclear tests from 1965 to 1971, and virtually no testing of radionuclide levels in biota, subsistence foods, or commercial fish was conducted after the 1970s. When DOE announced plans to close Amchitka, terminating its managerial responsibility, without any further testing of radionuclide levels in biota, there was considerable controversy, which resulted in the development of a Science Plan to assess the potential risks to the marine environment from the tests. The Consortium for Risk Evaluation with Stakeholder Participation (CRESP) was the principle entity that developed and executed the science plan. Unlike traditional science, CRESP embarked on a process to include the Alaskan Natives of the Aleutian Islands (Aleuts), relevant state and federal agencies, and other stakeholders at every phase. Aleuts were included in the problem-formulation, research design refinement, the research, analysis of data, dissemination of research findings, and public communication. This led to agreement with the results, and to developing a path forward (production of a biomonitoring plan designed to provide early warning of any future radionuclide leakage and ecosystem/human health risks). The process outlined was successful in resolving a previously contentious situation by inclusion and collaboration with the Aleuts, among others, and could be usefully applied elsewhere to complex environmental problems where severe data gaps exist. PMID:19264301

Development, characterization and in vivo evaluation of benzocaine-loaded liposomes.

PubMed

Mura, Paola; Maestrelli, Francesca; González-Rodríguez, Maria Luisa; Michelacci, Ilaria; Ghelardini, Carla; Rabasco, Antonio M

2007-08-01

This study reports the development and in vivo evaluation of a liposomal formulation of the local anaesthetic benzocaine. Multi-lamellar (MLV) and small uni-lamellar (SUV) vesicles entrapping benzocaine were prepared using 50:50 w/w phosphatidylcholine-cholesterol as lipophilic phase and 50:50 v/v ethanol-water as hydrophilic phase. Liposome size, Zeta-potential, encapsulation efficiency and skin penetration properties were determined. Drug permeation from liposomal dispersions, as such or formulated in Carbopol gel, was evaluated through artificial lipophilic membranes and excised abdominal rat skin, whereas in vivo anaesthetic effect was tested on rabbits. Interestingly, addition of the drug into the hydrophilic phase, rather than into the lipophilic one, during liposome preparation enabled an improvement of the MLV's entrapment efficiency from 29.7% to 82.3%. On the other hand, sonication conditions to obtain SUV influenced size and polydispersity index of the vesicles and reduced the entrapment efficiency by about 30%. All liposomal-benzocaine formulations showed sustained release properties and a more intense anaesthetic effect than plain drug. Permeation experiments from drug solutions in gel containing the same amount of ethanol as in the liposomal formulations made it possible to exclude a possible enhancer effect of this solvent, at least when not used in liposomal formulations. MLV with the drug added into the hydrophilic phase gave the most effective formulation, showing a permeability coefficient value 2.5 times higher than that of the plain drug and allowing a significant improvement (P<0.01) not only of intensity but also of duration of anaesthetic effect of benzocaine. These results suggest that a suitably developed liposomal formulation of benzocaine can be of actual value for improving its clinical effectiveness in topical anaesthesia.

Modification of physicochemical characteristics of active pharmaceutical ingredients and application of supersaturatable dosage forms for improving bioavailability of poorly absorbed drugs.

PubMed

Kawakami, Kohsaku

2012-05-01

New chemical entities are required to possess physicochemical characteristics that result in acceptable oral absorption. However, many promising candidates need physicochemical modification or application of special formulation technology. This review discusses strategies for overcoming physicochemical problems during the development at the preformulation and formulation stages with emphasis on overcoming the most typical problem, low solubility. Solubility of active pharmaceutical ingredients can be improved by employing metastable states, salt forms, or cocrystals. Since the usefulness of salt forms is well recognized, it is the normal strategy to select the most suitable salt form through extensive screening in the current developmental study. Promising formulation technologies used to overcome the low solubility problem include liquid-filled capsules, self-emulsifying formulations, solid dispersions, and nanosuspensions. Current knowledge for each formulation is discussed from both theoretical and practical viewpoints, and their advantages and disadvantages are presented. Copyright © 2012 Elsevier B.V. All rights reserved.

IRIS Toxicological Review of Naphthalene (Scoping and Problem Formulation Materials)

EPA Science Inventory

In July 2014, EPA released scoping and problem formulation materials for new IRIS assessments of ethylbenzene and naphthalene for public comment and discussion. The scoping information was based on input from EPA's program and regional offices and was provided for informational p...

IRIS Toxicological Review of Ethylbenzene (Scoping and Problem Formulation Materials)

EPA Science Inventory

In July 2014, EPA released scoping and problem formulation materials for new IRIS assessments of ethylbenzene and naphthalene for public comment and discussion. The scoping information was based on input from EPA's program and regional offices and was provided for informational p...

IRIS Toxicological Review of Naphthalene (2014, Scoping and Problem Formulation Materials)

EPA Science Inventory

In July 2014, EPA released scoping and problem formulation materials for new IRIS assessments of ethylbenzene and naphthalene for public comment and discussion. The scoping information was based on input from EPA's program and regional offices and was provided for informational p...

IRIS Toxicological Review for Inorganic Arsenic (Scoping and Problem Formulation Materials)

EPA Science Inventory

In November 2012, EPA released scoping and problem formulation materials for the IRIS assessment of inorganic arsenic for public comment and discussion. The scoping information was based on input from EPA's program and regional offices and was provided for informational purposes....

IRIS Assessment Plan for Uranium (Scoping and Problem Formulation Materials)

EPA Science Inventory

In January 2018, EPA released the IRIS Assessment Plan for Uranium (Oral Reference Dose) (Scoping and Problem Formulation Materials). An IRIS Assessment Plan , or IAP communicates to the public the plan for assessing each individual chemical and includes summary informat...

Modelling compressible dense and dilute two-phase flows

NASA Astrophysics Data System (ADS)

Saurel, Richard; Chinnayya, Ashwin; Carmouze, Quentin

2017-06-01

Many two-phase flow situations, from engineering science to astrophysics, deal with transition from dense (high concentration of the condensed phase) to dilute concentration (low concentration of the same phase), covering the entire range of volume fractions. Some models are now well accepted at the two limits, but none are able to cover accurately the entire range, in particular regarding waves propagation. In the present work, an alternative to the Baer and Nunziato (BN) model [Baer, M. R. and Nunziato, J. W., "A two-phase mixture theory for the deflagration-to-detonation transition (DDT) in reactive granular materials," Int. J. Multiphase Flow 12(6), 861 (1986)], initially designed for dense flows, is built. The corresponding model is hyperbolic and thermodynamically consistent. Contrarily to the BN model that involves 6 wave speeds, the new formulation involves 4 waves only, in agreement with the Marble model [Marble, F. E., "Dynamics of a gas containing small solid particles," Combustion and Propulsion (5th AGARD Colloquium) (Pergamon Press, 1963), Vol. 175] based on pressureless Euler equations for the dispersed phase, a well-accepted model for low particle volume concentrations. In the new model, the presence of pressure in the momentum equation of the particles and consideration of volume fractions in the two phases render the model valid for large particle concentrations. A symmetric version of the new model is derived as well for liquids containing gas bubbles. This model version involves 4 characteristic wave speeds as well, but with different velocities. Last, the two sub-models with 4 waves are combined in a unique formulation, valid for the full range of volume fractions. It involves the same 6 wave speeds as the BN model, but at a given point of space, 4 waves only emerge, depending on the local volume fractions. The non-linear pressure waves propagate only in the phase with dominant volume fraction. The new model is tested numerically on various test problems ranging from separated phases in a shock tube to shock-particle cloud interaction. Its predictions are compared to BN and Marble models as well as against experimental data showing clear improvements.

OPC and PSM design using inverse lithography: a nonlinear optimization approach

NASA Astrophysics Data System (ADS)

Poonawala, Amyn; Milanfar, Peyman

2006-03-01

We propose a novel method for the fast synthesis of low complexity model-based optical proximity correction (OPC) and phase shift masks (PSM) to improve the resolution and pattern fidelity of optical microlithography. We use the pixel-based mask representation, a continuous function formulation, and gradient based iterative optimization techniques to solve the above inverse problem. The continuous function formulation allows analytic calculation of the gradient. Pixel-based parametrization provides tremendous liberty in terms of the features possible in the synthesized masks, but also suffers the inherent disadvantage that the masks are very complex and difficult to manufacture. We therefore introduce the regularization framework; a useful tool which provides the flexibility to promote certain desirable properties in the solution. We employ the above framework to ensure that the estimated masks have only two or three (allowable) transmission values and are also comparatively simple and easy to manufacture. The results demonstrate that we are able to bring the CD on target using OPC masks. Furthermore, we were also able to boost the contrast of the aerial image using attenuated, strong, and 100% transmission phase shift masks. Our algorithm automatically (and optimally) adds assist-bars, dog-ears, serifs, anti-serifs, and other custom structures best suited for printing the desired pattern.

Assessment of planning abilities in individuals with mild cognitive impairment using an open-ended problem-solving task.

PubMed

Sanders, Chad; Low, Christina; Schmitter-Edgecombe, Maureen

2014-01-01

There is currently limited research evaluating planning abilities, a core subcomponent of executive functioning, in individuals with mild cognitive impairment (MCI). In the present study, we utilized the "Amap Task," an open-ended problem-solving task, to separately evaluate the formulation and execution components of planning ability in individuals with MCI. Thirty-seven cognitively healthy older adults and 37 individuals with MCI used a map layout of a university apartment to develop and write out a strategy (formulation stage) to successfully complete a list of tasks (e.g., retrieve and fill a water pitcher before placing it in the refrigerator). Subsequently, participants carried out the tasks in the apartment with the aid of their formulated plan (execution stage). MCI participants performed more poorly than older adult (OA) controls during both the formulation and execution stages on measures of task accuracy and task efficiency. However, both groups were able to adjust and improve task accuracy and efficiency from formulation to task execution. Finally, MCI participants took significantly longer to complete the task and adhered less to their formulated plans during task completion. Using an open-ended problem-solving task, the findings revealed that individuals with MCI experienced difficulties with both the formulation and execution components of planning. Like controls, participants with MCI were able to successfully modify their plan online, improving their performance from task formulation to task execution.

Formulations and algorithms for problems on rock mass and support deformation during mining

NASA Astrophysics Data System (ADS)

Seryakov, VM

2018-03-01

The analysis of problem formulations to calculate stress-strain state of mine support and surrounding rocks mass in rock mechanics shows that such formulations incompletely describe the mechanical features of joint deformation in the rock mass–support system. The present paper proposes an algorithm to take into account the actual conditions of rock mass and support interaction and the algorithm implementation method to ensure efficient calculation of stresses in rocks and support.

Optimization of Primary Drying in Lyophilization during Early Phase Drug Development using a Definitive Screening Design with Formulation and Process Factors.

PubMed

Goldman, Johnathan M; More, Haresh T; Yee, Olga; Borgeson, Elizabeth; Remy, Brenda; Rowe, Jasmine; Sadineni, Vikram

2018-06-08

Development of optimal drug product lyophilization cycles is typically accomplished via multiple engineering runs to determine appropriate process parameters. These runs require significant time and product investments, which are especially costly during early phase development when the drug product formulation and lyophilization process are often defined simultaneously. Even small changes in the formulation may require a new set of engineering runs to define lyophilization process parameters. In order to overcome these development difficulties, an eight factor definitive screening design (DSD), including both formulation and process parameters, was executed on a fully human monoclonal antibody (mAb) drug product. The DSD enables evaluation of several interdependent factors to define critical parameters that affect primary drying time and product temperature. From these parameters, a lyophilization development model is defined where near optimal process parameters can be derived for many different drug product formulations. This concept is demonstrated on a mAb drug product where statistically predicted cycle responses agree well with those measured experimentally. This design of experiments (DoE) approach for early phase lyophilization cycle development offers a workflow that significantly decreases the development time of clinically and potentially commercially viable lyophilization cycles for a platform formulation that still has variable range of compositions. Copyright © 2018. Published by Elsevier Inc.

Distributed Damage Estimation for Prognostics based on Structural Model Decomposition

NASA Technical Reports Server (NTRS)

Daigle, Matthew; Bregon, Anibal; Roychoudhury, Indranil

2011-01-01

Model-based prognostics approaches capture system knowledge in the form of physics-based models of components, and how they fail. These methods consist of a damage estimation phase, in which the health state of a component is estimated, and a prediction phase, in which the health state is projected forward in time to determine end of life. However, the damage estimation problem is often multi-dimensional and computationally intensive. We propose a model decomposition approach adapted from the diagnosis community, called possible conflicts, in order to both improve the computational efficiency of damage estimation, and formulate a damage estimation approach that is inherently distributed. Local state estimates are combined into a global state estimate from which prediction is performed. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the approach.

Definition of optical systems payloads

NASA Technical Reports Server (NTRS)

Downey, J. A., III

1981-01-01

The various phases in the formulation of a major NASA project include the inception of the project, planning of the concept, and the project definition. A baseline configuration is established during the planning stage, which serves as a basis for engineering trade studies. Basic technological problems should be recognized early, and a technological verification plan prepared before development of a project begins. A progressive series of iterations is required during the definition phase, illustrating the complex interdependence of existing subsystems. A systems error budget should be established to assess the overall systems performance, identify key performance drivers, and guide performance trades and iterations around these drivers, thus decreasing final systems requirements. Unnecessary interfaces should be avoided, and reasonable design and cost margins maintained. Certain aspects of the definition of the Advanced X-ray Astrophysics Facility are used as an example.

An investigation of quasi-inertial attitude control for a solar power satellite

NASA Technical Reports Server (NTRS)

Juang, J.-N.; Wang, S. J.

1982-01-01

An efficient means, a quasi-inertial attitude mode, is developed for maintaining the normal solar orientation of a space satellite for power collection in a synchronous orbit. Formulae are presented which establish the basic parametric properties for ideal quasi-inertial attitude and phasing. An active control system is necessary to compensate for the energy loss since energy dissipation in widely oscillating flexible bodies produces an instability of the quasi-inertial attitude in the sense that the spacecraft will tumble at the orbit rate. A fixed terminal time and state optimal control problem is formulated and an algorithm for determining the optimal control as a means for the periodical attitude and phase compensation is developed. The vehicle orientation affected by internal disturbance (structural flexibility) and external disturbances (e.g., drag forces) is maintained by a specialized controller design.

Liquid-Liquid Phase Separation in a Dual Variable Domain Immunoglobulin Protein Solution: Effect of Formulation Factors and Protein-Protein Interactions.

PubMed

Raut, Ashlesha S; Kalonia, Devendra S

2015-09-08

Dual variable domain immunoglobulin proteins (DVD-Ig proteins) are large molecules (MW ∼ 200 kDa) with increased asymmetry because of their extended Y-like shape, which results in increased formulation challenges. Liquid-liquid phase separation (LLPS) of protein solutions into protein-rich and protein-poor phases reduces solution stability at intermediate concentrations and lower temperatures, and is a serious concern in formulation development as therapeutic proteins are generally stored at refrigerated conditions. In the current work, LLPS was studied for a DVD-Ig protein molecule as a function of solution conditions by measuring solution opalescence. LLPS of the protein was confirmed by equilibrium studies and by visually observing under microscope. The protein does not undergo any structural change after phase separation. Protein-protein interactions were measured by light scattering (kD) and Tcloud (temperature that marks the onset of phase separation). There is a good agreement between kD measured in dilute solution with Tcloud measured in the critical concentration range. Results indicate that the increased complexity of the molecule (with respect to size, shape, and charge distribution on the molecule) increases contribution of specific and nonspecific interactions in solution, which are affected by formulation factors, resulting in LLPS for DVD-Ig protein.

Optimal rail container shipment planning problem in multimodal transportation

NASA Astrophysics Data System (ADS)

Cao, Chengxuan; Gao, Ziyou; Li, Keping

2012-09-01

The optimal rail container shipment planning problem in multimodal transportation is studied in this article. The characteristics of the multi-period planning problem is presented and the problem is formulated as a large-scale 0-1 integer programming model, which maximizes the total profit generated by all freight bookings accepted in a multi-period planning horizon subject to the limited capacities. Two heuristic algorithms are proposed to obtain an approximate optimal solution of the problem. Finally, numerical experiments are conducted to demonstrate the proposed formulation and heuristic algorithms.

An inverse problem strategy based on forward model evaluations: Gradient-based optimization without adjoint solves

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

Aguilo Valentin, Miguel Alejandro

2016-07-01

This study presents a new nonlinear programming formulation for the solution of inverse problems. First, a general inverse problem formulation based on the compliance error functional is presented. The proposed error functional enables the computation of the Lagrange multipliers, and thus the first order derivative information, at the expense of just one model evaluation. Therefore, the calculation of the Lagrange multipliers does not require the solution of the computationally intensive adjoint problem. This leads to significant speedups for large-scale, gradient-based inverse problems.

The Heterogeneous P-Median Problem for Categorization Based Clustering

ERIC Educational Resources Information Center

Blanchard, Simon J.; Aloise, Daniel; DeSarbo, Wayne S.

2012-01-01

The p-median offers an alternative to centroid-based clustering algorithms for identifying unobserved categories. However, existing p-median formulations typically require data aggregation into a single proximity matrix, resulting in masked respondent heterogeneity. A proposed three-way formulation of the p-median problem explicitly considers…

A level set-based topology optimization method for simultaneous design of elastic structure and coupled acoustic cavity using a two-phase material model

NASA Astrophysics Data System (ADS)

Noguchi, Yuki; Yamamoto, Takashi; Yamada, Takayuki; Izui, Kazuhiro; Nishiwaki, Shinji

2017-09-01

This papers proposes a level set-based topology optimization method for the simultaneous design of acoustic and structural material distributions. In this study, we develop a two-phase material model that is a mixture of an elastic material and acoustic medium, to represent an elastic structure and an acoustic cavity by controlling a volume fraction parameter. In the proposed model, boundary conditions at the two-phase material boundaries are satisfied naturally, avoiding the need to express these boundaries explicitly. We formulate a topology optimization problem to minimize the sound pressure level using this two-phase material model and a level set-based method that obtains topologies free from grayscales. The topological derivative of the objective functional is approximately derived using a variational approach and the adjoint variable method and is utilized to update the level set function via a time evolutionary reaction-diffusion equation. Several numerical examples present optimal acoustic and structural topologies that minimize the sound pressure generated from a vibrating elastic structure.

Modeling compressible multiphase flows with dispersed particles in both dense and dilute regimes

NASA Astrophysics Data System (ADS)

McGrath, T.; St. Clair, J.; Balachandar, S.

2018-05-01

Many important explosives and energetics applications involve multiphase formulations employing dispersed particles. While considerable progress has been made toward developing mathematical models and computational methodologies for these flows, significant challenges remain. In this work, we apply a mathematical model for compressible multiphase flows with dispersed particles to existing shock and explosive dispersal problems from the literature. The model is cast in an Eulerian framework, treats all phases as compressible, is hyperbolic, and satisfies the second law of thermodynamics. It directly applies the continuous-phase pressure gradient as a forcing function for particle acceleration and thereby retains relaxed characteristics for the dispersed particle phase that remove the constituent material sound velocity from the eigenvalues. This is consistent with the expected characteristics of dispersed particle phases and can significantly improve the stable time-step size for explicit methods. The model is applied to test cases involving the shock and explosive dispersal of solid particles and compared to data from the literature. Computed results compare well with experimental measurements, providing confidence in the model and computational methods applied.

Development of Numerical Extended Hydrodynamics for Transition-Regime Non-Equilibrium Flows Encountered in Semiconductor Manufacturing Processes

NASA Technical Reports Server (NTRS)

Groth, Clinton P. T.; Roe, Philip L.

1998-01-01

Six months of funding was received for the proposed three year research program (funding for the period from March 1, 1997 to August 31, 1997). Although the official starting date for the project was March 1, 1997, no funding for the project was received until July 1997. In the funded research period, considerable progress was made on Phase I of the proposed research program. The initial research efforts concentrated on applying the 10-, 20-, and 35-moment Gaussian-based closures to a series of standard two-dimensional non-reacting single species test flow problems, such as the flat plate, couette, channel, and rearward facing step flows, and to some other two-dimensional flows having geometries similar to those encountered in chemical-vapor deposition (CVD) reactors. Eigensystem analyses for these systems for the case of two spatial dimensions was carried out and efficient formulations of approximate Riemann solvers have been formulated using these eigenstructures. Formulations to include rotational non-equilibrium effects into the moment closure models for the treatment of polyatomic gases were explored, as the original formulations of the closure models were developed strictly for gases composed of monatomic molecules. The development of a software library and computer code for solving relaxing hyperbolic systems in two spatial dimensions of the type arising from the closure models was also initiated. The software makes use of high-resolution upwind finite-volumes schemes, multi-stage point implicit time stepping, and automatic adaptive mesh refinement (AMR) to solve the governing conservation equations for the moment closures. The initial phase of the code development was completed and a numerical investigation of the solutions of the 10-moment closure model for the simple two-dimensional test cases mentioned above was initiated. Predictions of the 10-moment model were compared to available theoretical solutions and the results of direct-simulation Monte Carlo (DSMC) calculations. The first results of this study were presented at a meeting last year.

Neural network based adaptive output feedback control: Applications and improvements

NASA Astrophysics Data System (ADS)

Kutay, Ali Turker

Application of recently developed neural network based adaptive output feedback controllers to a diverse range of problems both in simulations and experiments is investigated in this thesis. The purpose is to evaluate the theory behind the development of these controllers numerically and experimentally, identify the needs for further development in practical applications, and to conduct further research in directions that are identified to ultimately enhance applicability of adaptive controllers to real world problems. We mainly focus our attention on adaptive controllers that augment existing fixed gain controllers. A recently developed approach holds great potential for successful implementations on real world applications due to its applicability to systems with minimal information concerning the plant model and the existing controller. In this thesis the formulation is extended to the multi-input multi-output case for distributed control of interconnected systems and successfully tested on a formation flight wind tunnel experiment. The command hedging method is formulated for the approach to further broaden the class of systems it can address by including systems with input nonlinearities. Also a formulation is adopted that allows the approach to be applied to non-minimum phase systems for which non-minimum phase characteristics are modeled with sufficient accuracy and treated properly in the design of the existing controller. It is shown that the approach can also be applied to augment nonlinear controllers under certain conditions and an example is presented where the nonlinear guidance law of a spinning projectile is augmented. Simulation results on a high fidelity 6 degrees-of-freedom nonlinear simulation code are presented. The thesis also presents a preliminary adaptive controller design for closed loop flight control with active flow actuators. Behavior of such actuators in dynamic flight conditions is not known. To test the adaptive controller design in simulation, a fictitious actuator model is developed that fits experimentally observed characteristics of flow control actuators in static flight conditions as well as possible coupling effects between actuation, the dynamics of flow field, and the rigid body dynamics of the vehicle.

Performance Analysis of Digital Tracking Loops for Telemetry Ranging Applications

NASA Astrophysics Data System (ADS)

Vilnrotter, V.; Hamkins, J.; Xie, H.; Ashrafi, S.

2015-08-01

In this article, we analyze mathematical models of digital loops used to track the phase and timing of communications and navigation signals. The limits on the accuracy of phase and timing estimates play a critical role in the accuracy achievable in telemetry ranging applications. We describe in detail a practical algorithm to compute the loop parameters for discrete update (DU) and continuous update (CU) loop formulations, and we show that a simple power-series approximation to the DU model is valid over a large range of time-bandwidth product . Several numerical examples compare the estimation error variance of the DU and CU models to each other and to Cramer-Rao lower bounds. Finally, the results are applied to the problem of ranging, by evaluating the performance of a phase-locked loop designed to track a typical ambiguity-resolving pseudonoise (PN) code received and demodulated at the spacecraft on the uplink part of the two-way ranging link, and a data transition tracking loop (DTTL) on the downlink part.

Study on biphasic material model and mechanical analysis of knee joint cartilage

NASA Astrophysics Data System (ADS)

Nakatani, A.; Sakashita, A.

2008-02-01

A material model of articular cartilage is formulated, and fundamental problems are analyzed. The soft tissue is assumed to comprise two phases: solid and fluid. The biphasic theory proposed by Spilker and Suh (1990) to deal with such materials is reviewed, and some new additional analyses are carried out on the basis of this theory. Assuming the elasticity for the solid phase and introducing the pressure, which is defined by the product of the volume change and penalty coefficient, it is shown that the viscoelastic property of the soft tissue can be reproduced. A preferable solution is obtained for the solid phase by using the reduction integral, even if a high-order interpolation function is used. However, the high-order element cannot satisfactorily capture the velocity distribution of fluids. The pressure distribution is studied by assuming the change in the surface characteristics of the cartilage tissue with the progress of osteoarthritis. The pressure is strongly related to the lubrication conditions, i.e., perfect lubrication, perfect adhesion, and partial adhesion.

Generalized thermoelastic problem of an infinite body with a spherical cavity under dual-phase-lags

NASA Astrophysics Data System (ADS)

Karmakar, R.; Sur, A.; Kanoria, M.

2016-07-01

The aim of the present contribution is the determination of the thermoelastic temperatures, stress, displacement, and strain in an infinite isotropic elastic body with a spherical cavity in the context of the mechanism of the two-temperature generalized thermoelasticity theory (2TT). The two-temperature Lord-Shulman (2TLS) model and two-temperature dual-phase-lag (2TDP) model of thermoelasticity are combined into a unified formulation with unified parameters. The medium is assumed to be initially quiescent. The basic equations are written in the form of a vector matrix differential equation in the Laplace transform domain, which is then solved by the state-space approach. The expressions for the conductive temperature and elongation are obtained at small times. The numerical inversion of the transformed solutions is carried out by using the Fourier-series expansion technique. A comparative study is performed for the thermoelastic stresses, conductive temperature, thermodynamic temperature, displacement, and elongation computed by using the Lord-Shulman and dual-phase-lag models.

Optimized formulation of solid self-microemulsifying sirolimus delivery systems

PubMed Central

Cho, Wonkyung; Kim, Min-Soo; Kim, Jeong-Soo; Park, Junsung; Park, Hee Jun; Cha, Kwang-Ho; Park, Jeong-Sook; Hwang, Sung-Joo

2013-01-01

Background The aim of this study was to develop an optimized solid self-microemulsifying drug delivery system (SMEDDS) formulation for sirolimus to enhance its solubility, stability, and bioavailability. Methods Excipients used for enhancing the solubility and stability of sirolimus were screened. A phase-separation test, visual observation for emulsifying efficiency, and droplet size analysis were performed. Ternary phase diagrams were constructed to optimize the liquid SMEDDS formulation. The selected liquid SMEDDS formulations were prepared into solid form. The dissolution profiles and pharmacokinetic profiles in rats were analyzed. Results In the results of the oil and cosolvent screening studies, Capryol™ Propylene glycol monocapry late (PGMC) and glycofurol exhibited the highest solubility of all oils and cosolvents, respectively. In the surfactant screening test, D-α-tocopheryl polyethylene glycol 1000 succinate (vitamin E TPGS) was determined to be the most effective stabilizer of sirolimus in pH 1.2 simulated gastric fluids. The optimal formulation determined by the construction of ternary phase diagrams was the T32 (Capryol™ PGMC:glycofurol:vitamin E TPGS = 30:30:40 weight ratio) formulation with a mean droplet size of 108.2 ± 11.4 nm. The solid SMEDDS formulations were prepared with Sucroester 15 and mannitol. The droplet size of the reconstituted solid SMEDDS showed no significant difference compared with the liquid SMEDDS. In the dissolution study, the release amounts of sirolimus from the SMEDDS formulation were significantly higher than the raw sirolimus powder. In addition, the solid SMEDDS formulation was in a more stable state than liquid SMEDDS in pH 1.2 simulated gastric fluids. The results of the pharmacokinetic study indicate that the SMEDDS formulation shows significantly greater bioavailability than the raw sirolimus powder or commercial product (Rapamune® oral solution). Conclusion The results of this study suggest the potential use of a solid SMEDDS formulation for the delivery of poorly water-soluble drugs, such as sirolimus, through oral administration. PMID:23641156

Predicting solubilisation features of ternary phase diagrams of fully dilutable lecithin linker microemulsions.

PubMed

Nouraei, Mehdi; Acosta, Edgar J

2017-06-01

Fully dilutable microemulsions (μEs), used to design self-microemulsifying delivery system (SMEDS), are formulated as concentrate solutions containing oil and surfactants, without water. As water is added to dilute these systems, various μEs are produced (water-swollen reverse micelles, bicontinuous systems, and oil-swollen micelles), without the onset of phase separation. Currently, the formulation dilutable μEs follows a trial and error approach that has had a limited success. The objective of this work is to introduce the use of the hydrophilic-lipophilic-difference (HLD) and net-average-curvature (NAC) frameworks to predict the solubilisation features of ternary phase diagrams of lecithin-linker μEs and the use of these predictions to guide the formulation of dilutable μEs. To this end, the characteristic curvatures (Cc) of soybean lecithin (surfactant), glycerol monooleate (lipophilic linker) and polyglycerol caprylate (hydrophilic linker) and the equivalent alkane carbon number (EACN) of ethyl caprate (oil) were obtained via phase scans with reference surfactant-oil systems. These parameters were then used to calculate the HLD of lecithin-linkers-ethyl caprate microemulsions. The calculated HLDs were able to predict the phase transitions observed in the phase scans. The NAC was then used to fit and predict phase volumes obtained from salinity phase scans, and to predict the solubilisation features of ternary phase diagrams of the lecithin-linker formulations. The HLD-NAC predictions were reasonably accurate, and indicated that the largest region for dilutable μEs was obtained with slightly negative HLD values. The NAC framework also predicted, and explained, the changes in microemulsion properties along dilution lines. Copyright © 2017 Elsevier Inc. All rights reserved.

Modelling inter-supply chain competition with resource limitation and demand disruption

NASA Astrophysics Data System (ADS)

Chen, Zhaobo; Teng, Chunxian; Zhang, Ding; Sun, Jiayi

2016-05-01

This paper proposes a comprehensive model for studying supply chain versus supply chain competition with resource limitation and demand disruption. We assume that there are supply chains with heterogeneous supply network structures that compete at multiple demand markets. Each supply chain is comprised of internal and external firms. The internal firms are coordinated in production and distribution and share some common but limited resources within the supply chain, whereas the external firms are independent and do not share the internal resources. The supply chain managers strive to develop optimal strategies in terms of production level and resource allocation in maximising their profit while facing competition at the end market. The Cournot-Nash equilibrium of this inter-supply chain competition is formulated as a variational inequality problem. We further study the case when there is demand disruption in the plan-execution phase. In such a case, the managers need to revise their planned strategy in order to maximise their profit with the new demand under disruption and minimise the cost of change. We present a bi-criteria decision-making model for supply chain managers and develop the optimal conditions in equilibrium, which again can be formulated by another variational inequality problem. Numerical examples are presented for illustrative purpose.

Investigation of the Conjugate Heat and Mass Transfer at Ignition and Subsequent Nonstationary Erosion Combustion of Powders Under Conditions Close to Those of Firing a Shot

NASA Astrophysics Data System (ADS)

Rusyak, I. G.; Lipanov, A. M.

2016-11-01

The laws of combustion of powders under conditions close to those of firing an artillery shot have been investigated. A solid-state local heat ignition model was used, and the process of powder combustion was simulated on the basis of the notions of the Belyaev-Zel'dovich thermal combustion theory. The complete formulation of the combustion problem includes the nonstationary processes of heat propagation and chemical transformation in the k-phase, as well as the quasi-stationary processes in the chemically reacting two-stage turbulent boundary layer near the combustion surface related to the characteristics of the averaged nonstationary flow by the boundary conditions at the outer boundary of the boundary layer. The features of the joint solution of the equations of the thermal combustion theory and the equations of internal ballistics have been analyzed. The questions on the convergence of the conjugate problem have been considered. The influence of various factors on the rate of combustion of powder has been investigated. The investigations conducted enabled us to formulate an approximate method for calculating the nonstationary and erosion rates of combustion of artillery powders at a shot on the basis of the Lenouard-Robillard-Karakozov approach.

A minimization principle for the description of modes associated with finite-time instabilities

PubMed Central

Babaee, H.

2016-01-01

We introduce a minimization formulation for the determination of a finite-dimensional, time-dependent, orthonormal basis that captures directions of the phase space associated with transient instabilities. While these instabilities have finite lifetime, they can play a crucial role either by altering the system dynamics through the activation of other instabilities or by creating sudden nonlinear energy transfers that lead to extreme responses. However, their essentially transient character makes their description a particularly challenging task. We develop a minimization framework that focuses on the optimal approximation of the system dynamics in the neighbourhood of the system state. This minimization formulation results in differential equations that evolve a time-dependent basis so that it optimally approximates the most unstable directions. We demonstrate the capability of the method for two families of problems: (i) linear systems, including the advection–diffusion operator in a strongly non-normal regime as well as the Orr–Sommerfeld/Squire operator, and (ii) nonlinear problems, including a low-dimensional system with transient instabilities and the vertical jet in cross-flow. We demonstrate that the time-dependent subspace captures the strongly transient non-normal energy growth (in the short-time regime), while for longer times the modes capture the expected asymptotic behaviour. PMID:27118900

Efficient Reformulation of the Thermoelastic Higher-order Theory for Fgms

NASA Technical Reports Server (NTRS)

Bansal, Yogesh; Pindera, Marek-Jerzy; Arnold, Steven M. (Technical Monitor)

2002-01-01

Functionally graded materials (FGMs) are characterized by spatially variable microstructures which are introduced to satisfy given performance requirements. The microstructural gradation gives rise to continuously or discretely changing material properties which complicate FGM analysis. Various techniques have been developed during the past several decades for analyzing traditional composites and many of these have been adapted for the analysis of FGMs. Most of the available techniques use the so-called uncoupled approach in order to analyze graded structures. These techniques ignore the effect of microstructural gradation by employing specific spatial material property variations that are either assumed or obtained by local homogenization. The higher-order theory for functionally graded materials (HOTFGM) is a coupled approach developed by Aboudi et al. (1999) which takes the effect of microstructural gradation into consideration and does not ignore the local-global interaction of the spatially variable inclusion phase(s). Despite its demonstrated utility, however, the original formulation of the higher-order theory is computationally intensive. Herein, an efficient reformulation of the original higher-order theory for two-dimensional elastic problems is developed and validated. The use of the local-global conductivity and local-global stiffness matrix approach is made in order to reduce the number of equations involved. In this approach, surface-averaged quantities are the primary variables which replace volume-averaged quantities employed in the original formulation. The reformulation decreases the size of the global conductivity and stiffness matrices by approximately sixty percent. Various thermal, mechanical, and combined thermomechanical problems are analyzed in order to validate the accuracy of the reformulated theory through comparison with analytical and finite-element solutions. The presented results illustrate the efficiency of the reformulation and its advantages in analyzing functionally graded materials.

On the phase lag of turbulent dissipation in rotating tidal flows

NASA Astrophysics Data System (ADS)

Zhang, Qianjiang; Wu, Jiaxue

2018-03-01

Field observations of rotating tidal flows in a shallow tidally swept sea reveal that a notable phase lag of both shear production and turbulent dissipation increases with height above the seafloor. These vertical delays of turbulent quantities are approximately equivalent in magnitude to that of squared mean shear. The shear production approximately equals turbulent dissipation over the phase-lag column, and thus a main mechanism of phase lag of dissipation is mean shear, rather than vertical diffusion of turbulent kinetic energy. By relating the phase lag of dissipation to that of the mean shear, a simple formulation with constant eddy viscosity is developed to describe the phase lag in rotating tidal flows. An analytical solution indicates that the phase lag increases linearly with height subjected to a combined effect of tidal frequency, Coriolis parameter and eddy viscosity. The vertical diffusion of momentum associated with eddy viscosity produces the phase lag of squared mean shear, and resultant delay of turbulent quantities. Its magnitude is inhibited by Earth's rotation. Furthermore, a theoretical formulation of the phase lag with a parabolic eddy viscosity profile can be constructed. A first-order approximation of this formulation is still a linear function of height, and its magnitude is approximately 0.8 times that with constant viscosity. Finally, the theoretical solutions of phase lag with realistic viscosity can be satisfactorily justified by realistic phase lags of dissipation.

Study of multi-dimensional radiative energy transfer in molecular gases

NASA Technical Reports Server (NTRS)

Liu, Jiwen; Tiwari, S. N.

1993-01-01

The Monte Carlo method (MCM) is applied to analyze radiative heat transfer in nongray gases. The nongray model employed is based on the statistical arrow band model with an exponential-tailed inverse intensity distribution. Consideration of spectral correlation results in some distinguishing features of the Monte Carlo formulations. Validation of the Monte Carlo formulations has been conducted by comparing results of this method with other solutions. Extension of a one-dimensional problem to a multi-dimensional problem requires some special treatments in the Monte Carlo analysis. Use of different assumptions results in different sets of Monte Carlo formulations. The nongray narrow band formulations provide the most accurate results.

A hybridizable discontinuous Galerkin method for modeling fluid-structure interaction

NASA Astrophysics Data System (ADS)

Sheldon, Jason P.; Miller, Scott T.; Pitt, Jonathan S.

2016-12-01

This work presents a novel application of the hybridizable discontinuous Galerkin (HDG) finite element method to the multi-physics simulation of coupled fluid-structure interaction (FSI) problems. Recent applications of the HDG method have primarily been for single-physics problems including both solids and fluids, which are necessary building blocks for FSI modeling. Utilizing these established models, HDG formulations for linear elastostatics, a nonlinear elastodynamic model, and arbitrary Lagrangian-Eulerian Navier-Stokes are derived. The elasticity formulations are written in a Lagrangian reference frame, with the nonlinear formulation restricted to hyperelastic materials. With these individual solid and fluid formulations, the remaining challenge in FSI modeling is coupling together their disparate mathematics on the fluid-solid interface. This coupling is presented, along with the resultant HDG FSI formulation. Verification of the component models, through the method of manufactured solutions, is performed and each model is shown to converge at the expected rate. The individual components, along with the complete FSI model, are then compared to the benchmark problems proposed by Turek and Hron [1]. The solutions from the HDG formulation presented in this work trend towards the benchmark as the spatial polynomial order and the temporal order of integration are increased.

A hybridizable discontinuous Galerkin method for modeling fluid–structure interaction

DOE PAGES

Sheldon, Jason P.; Miller, Scott T.; Pitt, Jonathan S.

2016-08-31

This study presents a novel application of the hybridizable discontinuous Galerkin (HDG) finite element method to the multi-physics simulation of coupled fluid–structure interaction (FSI) problems. Recent applications of the HDG method have primarily been for single-physics problems including both solids and fluids, which are necessary building blocks for FSI modeling. Utilizing these established models, HDG formulations for linear elastostatics, a nonlinear elastodynamic model, and arbitrary Lagrangian–Eulerian Navier–Stokes are derived. The elasticity formulations are written in a Lagrangian reference frame, with the nonlinear formulation restricted to hyperelastic materials. With these individual solid and fluid formulations, the remaining challenge in FSI modelingmore » is coupling together their disparate mathematics on the fluid–solid interface. This coupling is presented, along with the resultant HDG FSI formulation. Verification of the component models, through the method of manufactured solutions, is performed and each model is shown to converge at the expected rate. The individual components, along with the complete FSI model, are then compared to the benchmark problems proposed by Turek and Hron [1]. The solutions from the HDG formulation presented in this work trend towards the benchmark as the spatial polynomial order and the temporal order of integration are increased.« less

Project evaluation and selection using fuzzy Delphi method and zero - one goal programming

NASA Astrophysics Data System (ADS)

Alias, Suriana; Adna, Nofarziah; Arsad, Roslah; Soid, Siti Khuzaimah; Ali, Zaileha Md

2014-12-01

Project evaluation and selection is a factor affecting the impotence of board director in which is trying to maximize all the possible goals. Assessment of the problem occurred in organization plan is the first phase for decision making process. The company needs a group of expert to evaluate the problems. The Fuzzy Delphi Method (FDM) is a systematic procedure to evoke the group's opinion in order to get the best result to evaluate the project performance. This paper proposes an evaluation and selection of the best alternative project based on combination of FDM and Zero - One Goal Programming (ZOGP) formulation. ZOGP is used to solve the multi-criteria decision making for final decision part by using optimization software LINDO 6.1. An empirical example on an ongoing decision making project in Johor, Malaysia is implemented for case study.

Reliable spacecraft rendezvous without velocity measurement

NASA Astrophysics Data System (ADS)

He, Shaoming; Lin, Defu

2018-03-01

This paper investigates the problem of finite-time velocity-free autonomous rendezvous for spacecraft in the presence of external disturbances during the terminal phase. First of all, to address the problem of lack of relative velocity measurement, a robust observer is proposed to estimate the unknown relative velocity information in a finite time. It is shown that the effect of external disturbances on the estimation precision can be suppressed to a relatively low level. With the reconstructed velocity information, a finite-time output feedback control law is then formulated to stabilize the rendezvous system. Theoretical analysis and rigorous proof show that the relative position and its rate can converge to a small compacted region in finite time. Numerical simulations are performed to evaluate the performance of the proposed approach in the presence of external disturbances and actuator faults.

Fatigue effect on phase transition of pedestrian movement: experiment and simulation study

NASA Astrophysics Data System (ADS)

Luo, Lin; Fu, Zhijian; Zhou, Xiaodong; Zhu, Kongjin; Yang, Hongtai; Yang, Lizhong

2016-10-01

How to model pedestrian movement is an intriguing problem in the area of statistical physics. As a common phenomenon of pedestrian movement, fatigue has a significant negative effect on pedestrian movement, especially when pedestrians move or run with heavy luggage, rescue the wounded in disaster, climb stairs and etc. According to the field observations and previous researches, fatigue coefficient is defined as the decrease of desired velocity in this study. However, previous researches lacked quantitative analysis of the effect of fatigue on pedestrian speed. It has been a great challenge to study the effect of fatigue on pedestrian flow, since pedestrians of heterogeneous walking abilities and the change of pedestrians’ moving properties need to be taken into consideration. Thus, at first, a series of pedestrian experiments, under three different conditions, were conducted to formulate the empirical relationship among fatigue, average free velocity, and walking distance. Then the empirical formulation of pedestrian fatigue was imported into the multi-velocity field floor cellular automata (FFCA) model for following pedestrian dynamics analysis. The velocity ratio was adjusted dynamically to adapt the change of pedestrians’ velocity due to fatigue. The fatigue, entrance flow rate and pedestrian’s initial desired velocity are found to have significant effects on the pedestrian flow. The space-time distributions of pedestrian density and velocity were explored in detail, with phase transition analyses from a free flow phase to a congestion phase. Additionally, the ‘density wave’ in the system can be observed if a certain ratio of burdened pedestrians lay in the high density region. The envelope of the ‘density wave’ reaches its maximum amplitude around the entrance position, and gradually diminishes away from the entrance.

Finite element modeling of electromagnetic fields and waves using NASTRAN

NASA Technical Reports Server (NTRS)

Moyer, E. Thomas, Jr.; Schroeder, Erwin

1989-01-01

The various formulations of Maxwell's equations are reviewed with emphasis on those formulations which most readily form analogies with Navier's equations. Analogies involving scalar and vector potentials and electric and magnetic field components are presented. Formulations allowing for media with dielectric and conducting properties are emphasized. It is demonstrated that many problems in electromagnetism can be solved using the NASTRAN finite element code. Several fundamental problems involving time harmonic solutions of Maxwell's equations with known analytic solutions are solved using NASTRAN to demonstrate convergence and mesh requirements. Mesh requirements are studied as a function of frequency, conductivity, and dielectric properties. Applications in both low frequency and high frequency are highlighted. The low frequency problems demonstrate the ability to solve problems involving media inhomogeneity and unbounded domains. The high frequency applications demonstrate the ability to handle problems with large boundary to wavelength ratios.

The Benard problem: A comparison of finite difference and spectral collocation eigen value solutions

NASA Technical Reports Server (NTRS)

Skarda, J. Raymond Lee; Mccaughan, Frances E.; Fitzmaurice, Nessan

1995-01-01

The application of spectral methods, using a Chebyshev collocation scheme, to solve hydrodynamic stability problems is demonstrated on the Benard problem. Implementation of the Chebyshev collocation formulation is described. The performance of the spectral scheme is compared with that of a 2nd order finite difference scheme. An exact solution to the Marangoni-Benard problem is used to evaluate the performance of both schemes. The error of the spectral scheme is at least seven orders of magnitude smaller than finite difference error for a grid resolution of N = 15 (number of points used). The performance of the spectral formulation far exceeded the performance of the finite difference formulation for this problem. The spectral scheme required only slightly more effort to set up than the 2nd order finite difference scheme. This suggests that the spectral scheme may actually be faster to implement than higher order finite difference schemes.

Energy-modeled flight in a wind field

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

Feldman, M.A.; Cliff, E.M.

Optimal shaping of aerospace trajectories has provided the motivation for much modern study of optimization theory and algorithms. Current industrial practice favors approaches where the continuous-time optimal control problem is transcribed to a finite-dimensional nonlinear programming problem (NLP) by a discretization process. Two such formulations are implemented in the POST and the OTIS codes. In the present paper we use a discretization that is specially adapted to the flight problem of interest. Among the unique aspects of the present discretization are: a least-squares formulation for certain kinematic constraints; the use of an energy ideas to enforce Newton`s Laws; and, themore » inclusion of large magnitude horizontal winds. In the next section we shall provide a description of the flight problem and its NLP representation. Following this we provide some details of the constraint formulation. Finally, we present an overview of the NLP problem.« less

Model‐Informed Development and Registration of a Once‐Daily Regimen of Extended‐Release Tofacitinib

PubMed Central

Lamba, M; Hutmacher, MM; Furst, DE; Dikranian, A; Dowty, ME; Conrado, D; Stock, T; Nduaka, C; Cook, J

2017-01-01

Extended‐release (XR) formulations enable less frequent dosing vs. conventional (e.g., immediate release (IR)) formulations. Regulatory registration of such formulations typically requires pharmacokinetic (PK) and clinical efficacy data. Here we illustrate a model‐informed, exposure–response (E‐R) approach to translate controlled trial data from one formulation to another without a phase III trial, using a tofacitinib case study. Tofacitinib is an oral Janus kinase (JAK) inhibitor for the treatment of rheumatoid arthritis (RA). E‐R analyses were conducted using validated clinical endpoints from phase II dose–response and nonclinical dose fractionation studies of the IR formulation. Consistent with the delay in clinical response dynamics relative to PK, average concentration was established as the relevant PK parameter for tofacitinib efficacy and supported pharmacodynamic similarity. These evaluations, alongside demonstrated equivalence in total systemic exposure between IR and XR formulations, provided the basis for the regulatory approval of tofacitinib XR once daily by the US Food and Drug Administration. PMID:27859030

Variational estimate method for solving autonomous ordinary differential equations

NASA Astrophysics Data System (ADS)

Mungkasi, Sudi

2018-04-01

In this paper, we propose a method for solving first-order autonomous ordinary differential equation problems using a variational estimate formulation. The variational estimate is constructed with a Lagrange multiplier which is chosen optimally, so that the formulation leads to an accurate solution to the problem. The variational estimate is an integral form, which can be computed using a computer software. As the variational estimate is an explicit formula, the solution is easy to compute. This is a great advantage of the variational estimate formulation.

Capacity planning of link restorable optical networks under dynamic change of traffic

NASA Astrophysics Data System (ADS)

Ho, Kwok Shing; Cheung, Kwok Wai

2005-11-01

Future backbone networks shall require full-survivability and support dynamic changes of traffic demands. The Generalized Survivable Networks (GSN) was proposed to meet these challenges. GSN is fully-survivable under dynamic traffic demand changes, so it offers a practical and guaranteed characterization framework for ASTN / ASON survivable network planning and bandwidth-on-demand resource allocation 4. The basic idea of GSN is to incorporate the non-blocking network concept into the survivable network models. In GSN, each network node must specify its I/O capacity bound which is taken as constraints for any allowable traffic demand matrix. In this paper, we consider the following generic GSN network design problem: Given the I/O bounds of each network node, find a routing scheme (and the corresponding rerouting scheme under failure) and the link capacity assignment (both working and spare) which minimize the cost, such that any traffic matrix consistent with the given I/O bounds can be feasibly routed and it is single-fault tolerant under the link restoration scheme. We first show how the initial, infeasible formal mixed integer programming formulation can be transformed into a more feasible problem using the duality transformation of the linear program. Then we show how the problem can be simplified using the Lagrangian Relaxation approach. Previous work has outlined a two-phase approach for solving this problem where the first phase optimizes the working capacity assignment and the second phase optimizes the spare capacity assignment. In this paper, we present a jointly optimized framework for dimensioning the survivable optical network with the GSN model. Experiment results show that the jointly optimized GSN can bring about on average of 3.8% cost savings when compared with the separate, two-phase approach. Finally, we perform a cost comparison and show that GSN can be deployed with a reasonable cost.

A note on the uniqueness of 2D elastostatic problems formulated by different types of potential functions

NASA Astrophysics Data System (ADS)

Guerrero, José Luis Morales; Vidal, Manuel Cánovas; Nicolás, José Andrés Moreno; López, Francisco Alhama

2018-05-01

New additional conditions required for the uniqueness of the 2D elastostatic problems formulated in terms of potential functions for the derived Papkovich-Neuber representations, are studied. Two cases are considered, each of them formulated by the scalar potential function plus one of the rectangular non-zero components of the vector potential function. For these formulations, in addition to the original (physical) boundary conditions, two new additional conditions are required. In addition, for the complete Papkovich-Neuber formulation, expressed by the scalar potential plus two components of the vector potential, the additional conditions established previously for the three-dimensional case in z-convex domain can be applied. To show the usefulness of these new conditions in a numerical scheme two applications are numerically solved by the network method for the three cases of potential formulations.

Criterion for excipients screening in the development of nanoemulsion formulation of three anti-inflammatory drugs.

PubMed

Shakeel, Faiyaz

2010-01-01

The present study was undertaken for screening of different excipients in the development of nanoemulsion formulations of three anti-inflammatory drugs namely ketoprofen, celecoxib (CXB) and meloxicam. Based on solubility profiles of each drug in oil, Triacetin (ketoprofen and CXB) and Labrafil (meloxicam) were selected as the oil phase. Based on maximum solubilization potential of oil in different surfactants, Cremophor-EL (ketoprofen and CXB) and Tween-80 (meloxicam) were selected as surfactants. Based on maximum nanoemulsion region in the pseudoternary phase diagrams, Transcutol-HP was selected as cosurfactant for all three drugs. 1:1 (ketoprofen and CXB) and 2:1 (meloxicam) mass ratio of surfactant to cosurfactant was selected for selection of different nanoemulsions on the basis of maximum nanoemulsion region in the phase diagrams. All selected nanoemulsion formulations were found thermodynamically stable. Results of these studies showed that all excipients were properly optimized for the development of nanoemulsion formulation of ketoprofen, CXB and meloxicam.

Benchmarking optimization software with COPS.

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

Dolan, E.D.; More, J.J.

2001-01-08

The COPS test set provides a modest selection of difficult nonlinearly constrained optimization problems from applications in optimal design, fluid dynamics, parameter estimation, and optimal control. In this report we describe version 2.0 of the COPS problems. The formulation and discretization of the original problems have been streamlined and improved. We have also added new problems. The presentation of COPS follows the original report, but the description of the problems has been streamlined. For each problem we discuss the formulation of the problem and the structural data in Table 0.1 on the formulation. The aim of presenting this data ismore » to provide an approximate idea of the size and sparsity of the problem. We also include the results of computational experiments with the LANCELOT, LOQO, MINOS, and SNOPT solvers. These computational experiments differ from the original results in that we have deleted problems that were considered to be too easy. Moreover, in the current version of the computational experiments, each problem is tested with four variations. An important difference between this report and the original report is that the tables that present the computational experiments are generated automatically from the testing script. This is explained in more detail in the report.« less

Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

NASA Technical Reports Server (NTRS)

Menon, Suresh

1983-01-01

A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case, lack of experimental data made direct comparison difficult. It was determined that the growth rate of the disturbance amplitude is lower for reactive case. The results indicate that the reactive flow stability is in qualitative agreement with experimental observation.

Characterization of Phase Separation Propensity for Amorphous Spray Dried Dispersions.

PubMed

McNamara, Daniel; Yin, Shawn; Pan, Duohai; Crull, George; Timmins, Peter; Vig, Balvinder

2017-02-06

A generalized screening approach, applying isothermal calorimetry at 37 °C 100% RH, to formulations of spray dried dispersions (SDDs) for two active pharmaceutical ingredients (APIs) (BMS-903452 and BMS-986034) is demonstrated. APIs 452 and 034, with similar chemotypes, were synthesized and promoted during development for oral dosing. Both APIs were formulated as SDDs for animal exposure studies using the polymer hydroxypropylmethlycellulose acetyl succinate M grade (HPMCAS-M). 452 formulated at 30% (wt/wt %) was an extremely robust SDD that was able to withstand 40 °C 75% RH open storage conditions for 6 months with no physical evidence of crystallization or loss of dissolution performance. Though 034 was a chemical analogue with similar physical chemical properties to 452, a physically stable SDD of 034 could not be formulated in HPMCAS-M at any of the drug loads attempted. This study was used to develop experience with specific physical characterization laboratory techniques to evaluate the physical stability of SDDs and to characterize the propensity of SDDs to phase separate and possibly crystallize. The screening strategy adopted was to stress the formulated SDDs with a temperature humidity screen, within the calorimeter, and to apply orthogonal analytical techniques to gain a more informed understanding of why these SDDs formulated with HPMCAS-M demonstrated such different physical stability. Isothermal calorimetry (thermal activity monitor, TAM) was employed as a primary stress screen wherein the SDD formulations were monitored for 3 days at 37 °C 100% RH for signs of phase separation and possible crystallization of API. Powder X-ray diffraction (pXRD), modulated differential scanning calorimetry (mDSC), Fourier transform infrared spectroscopy (FTIR), and solid state nuclear magnetic resonance (ssNMR) were all used to examine formulated SDDs and neat amorphous drug. 452 SDDs formulated at 30% (wt/wt %) or less did not show phase separation behavior upon exposure to 37 °C 100% RH for 3 days. 034 SDD formulations from 10 through 50% (wt/wt %) all demonstrated thermal traces consistent with exothermic phase separation events over 3 days at 37 °C 100% RH in the TAM. However, only the 15, 30, and 50% containing 034 samples showed pXRD patterns consistent with crystalline material in post-TAM samples. Isothermal calorimetry is a useful screening tool to probe robust SDD physical performance and help investigate the level of drug polymer miscibility under a humid stress. Orthogonal analytical techniques such as pXRD, ssNMR, and FTIR were key in this SDD formulation screening to gain physical understanding and confirm or refute whether physical changes occur during the observed thermal events characterized by the calorimetric screening experiments.

Eulerian-Lagrangian Simulations of Transonic Flutter Instabilities

NASA Technical Reports Server (NTRS)

Bendiksen, Oddvar O.

1994-01-01

This paper presents an overview of recent applications of Eulerian-Lagrangian computational schemes in simulating transonic flutter instabilities. This approach, the fluid-structure system is treated as a single continuum dynamics problem, by switching from an Eulerian to a Lagrangian formulation at the fluid-structure boundary. This computational approach effectively eliminates the phase integration errors associated with previous methods, where the fluid and structure are integrated sequentially using different schemes. The formulation is based on Hamilton's Principle in mixed coordinates, and both finite volume and finite element discretization schemes are considered. Results from numerical simulations of transonic flutter instabilities are presented for isolated wings, thin panels, and turbomachinery blades. The results suggest that the method is capable of reproducing the energy exchange between the fluid and the structure with significantly less error than existing methods. Localized flutter modes and panel flutter modes involving traveling waves can also be simulated effectively with no a priori knowledge of the type of instability involved.

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

Oleinikov, A. I., E-mail: a.i.oleinikov@mail.ru; Bormotin, K. S., E-mail: cvmi@knastu.ru

It is shown that inverse problems of steady-state creep bending of plates in both the geometrically linear and nonlinear formulations can be represented in a variational formulation. Steady-state values of the obtained functionals corresponding to the solutions of the problems of inelastic deformation and springback are determined by applying a finite element procedure to the functionals. Optimal laws of creep deformation are formulated using the criterion of minimizing damage in the functionals of the inverse problems. The formulated problems are reduced to the problems solved by the finite element method using MSC.Marc software. Currently, forming of light metals poses tremendousmore » challenges due to their low ductility at room temperature and their unusual deformation characteristics at hot-cold work: strong asymmetry between tensile and compressive behavior, and a very pronounced anisotropy. We used the constitutive models of steady-state creep of initially transverse isotropy structural materials the kind of the stress state has influence. The paper gives basics of the developed computer-aided system of design, modeling, and electronic simulation targeting the processes of manufacture of wing integral panels. The modeling results can be used to calculate the die tooling, determine the panel processibility, and control panel rejection in the course of forming.« less

Variational Principles for Buckling of Microtubules Modeled as Nonlocal Orthotropic Shells

PubMed Central

2014-01-01

A variational principle for microtubules subject to a buckling load is derived by semi-inverse method. The microtubule is modeled as an orthotropic shell with the constitutive equations based on nonlocal elastic theory and the effect of filament network taken into account as an elastic surrounding. Microtubules can carry large compressive forces by virtue of the mechanical coupling between the microtubules and the surrounding elastic filament network. The equations governing the buckling of the microtubule are given by a system of three partial differential equations. The problem studied in the present work involves the derivation of the variational formulation for microtubule buckling. The Rayleigh quotient for the buckling load as well as the natural and geometric boundary conditions of the problem is obtained from this variational formulation. It is observed that the boundary conditions are coupled as a result of nonlocal formulation. It is noted that the analytic solution of the buckling problem for microtubules is usually a difficult task. The variational formulation of the problem provides the basis for a number of approximate and numerical methods of solutions and furthermore variational principles can provide physical insight into the problem. PMID:25214886

Driving for successful change processes in healthcare by putting staff at the wheel.

PubMed

Erlingsdottir, Gudbjörg; Ersson, Anders; Borell, Jonas; Rydenfält, Christofer

2018-03-19

Purpose The purpose of this paper is to describe five salient factors that emerge in two successful change processes in healthcare. Organizational changes in healthcare are often characterized by problems and solutions that have been formulated by higher levels of management. This top-down management approach has not been well received by the professional community. As a result, improvement processes are frequently abandoned, resulting in disrupted and dysfunctional organizations. This paper presents two successful change processes where managerial leadership was used to coach the change processes by distributing mandates and resources. After being managerially initiated, both processes were driven by local agency, decisions, planning and engagement. Design/methodology/approach The data in the paper derive from two qualitative case studies. Data were collected through in-depth interviews, observations and document studies. The cases are presented as process descriptions covering the different phases of the change processes. The focus in the studies is on the roles and interactions of the actors involved, the type of leadership and the distribution of agency. Findings Five factors emerged as paramount to the successful change processes in the two cases: local ownership of problems; a coached process where management initiates the change process and the problem recognition, and then lets the staff define the problems, formulate solutions and drive necessary changes; distributed leadership directed at enabling and supporting the staff's intentions and long-term self-leadership; mutually formulated norms and values that serve as a unifying force for the staff; and generous time allocation and planning, which allows the process to take time, and creates room for reevaluation. The authors also noted that in both cases, reorganization into multi-professional teams lent stability and endurance to the completed changes. Originality/value The research shows how management can initiate and support successful change processes that are staff driven and characterized by local agency, decisions, planning and engagement. Empirical descriptions of successful change processes are rare, which is why the description of such processes in this research increases the value of the paper.

Effect of additional of Hoodia Gordonii and seaweed powder on the sensory and physicochemical properties of brown rice bar

NASA Astrophysics Data System (ADS)

Hajal, Masturah Ebni; Ghani, Maaruf Abd; Daud, Norlida Mat

2015-09-01

Awareness of the nutritional content of food has increased with the emergence of various health products in the market. Cereal bar is one of the beneficial foods among consumer that concern on their healthy food. This study was conducted to develop a brown rice bar that contain active ingredients (H. gordonii and seaweed powder) and to determine the effect on sensory evaluation and physicochemical properties (colour, texture and proximate analysis) of this product. This study consisted of two phases in which the first phase consisted of development of ten formulations including control. All of the formulations were undergo analysis of colour, texture and sensory evaluation. Based on the sensory evaluation, Control (H. gordonii: 0%, seaweed: 0%) and two best formulations that consist of formulation 6 (H. gordonii: 1.6%; seaweed: 2.8%) and formulation 9 (H. gordonii: 2.4%, seaweed: 2.8%) were chosen to undergo the second phase which is proximate analysis. Base on the result, were significant different (p<0.05) on proximate analysis except for the protein and moisture content. Therefore, it can be concluded that H. gordonii is a good source of fiber when adding in a bar.

Phase field modeling of brittle fracture for enhanced assumed strain shells at large deformations: formulation and finite element implementation

NASA Astrophysics Data System (ADS)

Reinoso, J.; Paggi, M.; Linder, C.

2017-06-01

Fracture of technological thin-walled components can notably limit the performance of their corresponding engineering systems. With the aim of achieving reliable fracture predictions of thin structures, this work presents a new phase field model of brittle fracture for large deformation analysis of shells relying on a mixed enhanced assumed strain (EAS) formulation. The kinematic description of the shell body is constructed according to the solid shell concept. This enables the use of fully three-dimensional constitutive models for the material. The proposed phase field formulation integrates the use of the (EAS) method to alleviate locking pathologies, especially Poisson thickness and volumetric locking. This technique is further combined with the assumed natural strain method to efficiently derive a locking-free solid shell element. On the computational side, a fully coupled monolithic framework is consistently formulated. Specific details regarding the corresponding finite element formulation and the main aspects associated with its implementation in the general purpose packages FEAP and ABAQUS are addressed. Finally, the applicability of the current strategy is demonstrated through several numerical examples involving different loading conditions, and including linear and nonlinear hyperelastic constitutive models.

Need for appropriate formulations for children: the national institute of child health and human development-pediatric formulations initiative, part 2.

PubMed

Giacoia, George P; Taylor-Zapata, Perdita; Mattison, Donald

2007-01-01

The development and compounding of pharmacotherapeutic formulations that are suitable for infants and young children can be a challenging problem. This problem results from the lack of knowledge on the acceptability of different dosage forms and formulations to children in relation to age and developmental status, as well as the lack of reliable documentation of formulations used in pediatric clinical trials. As part of its mandate under the Best Pharmaceuticals for Children Act to improve pediatric therapeutics, the National Institute of Child Health and Human Development has sponsored the Pediatric Formulations Initiative. The goal of this ongoing initiative is to address the issues and concerns associated with pediatric therapeutics by convening groups of researchers and experts in pediatric formulations from academia, pharmaceutical companies, the National Institutes of Health, and the U.S. Food and Drug Administration. In this second part of a two-part article, the activities of the various groups that constitute the Pediatric Formulations Initiative are discussed, in addition the Initiative's future activities and plans are outlined.

Preliminary Structural Design Using Topology Optimization with a Comparison of Results from Gradient and Genetic Algorithm Methods

NASA Technical Reports Server (NTRS)

Burt, Adam O.; Tinker, Michael L.

2014-01-01

In this paper, genetic algorithm based and gradient-based topology optimization is presented in application to a real hardware design problem. Preliminary design of a planetary lander mockup structure is accomplished using these methods that prove to provide major weight savings by addressing the structural efficiency during the design cycle. This paper presents two alternative formulations of the topology optimization problem. The first is the widely-used gradient-based implementation using commercially available algorithms. The second is formulated using genetic algorithms and internally developed capabilities. These two approaches are applied to a practical design problem for hardware that has been built, tested and proven to be functional. Both formulations converged on similar solutions and therefore were proven to be equally valid implementations of the process. This paper discusses both of these formulations at a high level.

A Generalized Formulation of Demand Response under Market Environments

NASA Astrophysics Data System (ADS)

Nguyen, Minh Y.; Nguyen, Duc M.

2015-06-01

This paper presents a generalized formulation of Demand Response (DR) under deregulated electricity markets. The problem is scheduling and controls the consumption of electrical loads according to the market price to minimize the energy cost over a day. Taking into account the modeling of customers' comfort (i.e., preference), the formulation can be applied to various types of loads including what was traditionally classified as critical loads (e.g., air conditioning, lights). The proposed DR scheme is based on Dynamic Programming (DP) framework and solved by DP backward algorithm in which the stochastic optimization is used to treat the uncertainty, if any occurred in the problem. The proposed formulation is examined with the DR problem of different loads, including Heat Ventilation and Air Conditioning (HVAC), Electric Vehicles (EVs) and a newly DR on the water supply systems of commercial buildings. The result of simulation shows significant saving can be achieved in comparison with their traditional (On/Off) scheme.

Multiple Bloch surface waves in visible region of light at the interfaces between rugate filter/rugate filter and rugate filter/dielectric slab/rugate filter

NASA Astrophysics Data System (ADS)

Ullah Manzoor, Habib; Manzoor, Tareq; Hussain, Masroor; Manzoor, Sanaullah; Nazar, Kashif

2018-04-01

Surface electromagnetic waves are the solution of Maxwell’s frequency domain equations at the interface of two dissimilar materials. In this article, two canonical boundary-value problems have been formulated to analyze the multiplicity of electromagnetic surface waves at the interface between two dissimilar materials in the visible region of light. In the first problem, the interface between two semi-infinite rugate filters having symmetric refractive index profiles is considered and in the second problem, to enhance the multiplicity of surface electromagnetic waves, a homogeneous dielectric slab of 400 nm is included between two semi-infinite symmetric rugate filters. Numerical results show that multiple Bloch surface waves of different phase speeds, different polarization states, different degrees of localization and different field profiles are propagated at the interface between two semi-infinite rugate filters. Having two interfaces when a homogeneous dielectric layer is placed between two semi-infinite rugate filters has increased the multiplicity of electromagnetic surface waves.

Effects of nuclear forces on ion thermalization in high-temperature plasmas

NASA Technical Reports Server (NTRS)

Gould, R. J.

1982-01-01

A number of investigations have been concerned with the kinetic theory and processes associated with a relativistic electron gas. Gould (1981) has considered a condition in which upon the ultimate thermalization the temperature can be such that the electron gas is highly relativistic while the gas of protons and other ions is nonrelativistic. With the nuclear component nonrelativistic but having energies in the MeV range and above, it is necessary to consider the effects of nuclear forces in the scattering of the ions in their thermalization. The effects of nuclear forces in the thermalization of ions in plasmas have been computed, principally in connection with problems of controlle; fusion. The present investigation is concerned with an attempt to express results in analytic form to as great a degree as possible. The p-p problem, which is the fundamental problem in astrophysical plasma, is studied. Attention is given to a low-energy formulation, the s-wave phase shift, the effective stopping number, Fokker-Planck operators, and the interaction with the electron gas.

A thermodynamic recipe for baking the Earth's lower mantle and core as a whole

NASA Astrophysics Data System (ADS)

Tirone, Max; Faak, Kathi

2016-04-01

A rigorous understanding of the thermal and dynamic evolution of the core and the interaction with the silicate mantle cannot preclude a non-empirical petrological description of the problem which takes the form of a thermodynamic model. Because the Earth's core is predominantly made of iron such model may seem relatively straightforward, simply delivering a representation of the phase transformations in the P,T space. However due to well known geophysical considerations, a certain amount of light elements should be added. With the Occam's razor principle in mind, potential candidates could be the most abundant and easily accessible elements in the mantle, O, Si and Mg. Given these premises, the challenging problems on developing this type of model are: - a thermodynamic formulation should not simply describe phase equilibrium relations at least in the Fe-Si-O system (a formidable task itself) but should be also consistently applicable to evaluate thermophysical properties of liquid components and solids phases at extreme conditions (P=500-2000 kbar, T=1000-5000 K). Presently these properties are unknown for certain mineral and liquid components or partially available from scattered sources. - experimental data on the phase relations for iron rich liquid are extremely difficult to obtain and could not cover the entire P,T,X spectrum. - interaction of the outer core with the silicate mantle requires a melt model that is capable of describing a vast range of compositions ranging from metal-rich liquids to silicate liquids. The compound energy formalism for liquids with variable tendency to ionization developed by Hillert and coworkers is a sublattice model with varying stoichiometry that includes vacancies and neutral species in one site. It represents the ideal candidate for the task in hand. The thermodynamic model unfortunately is rather complex and a detailed description of the formulation for practical applications like chemical equilibrium calculations is nowhere to be found, while the model is only accessible on few commercial thermodynamic programs. The latest developments regarding all these related issues will be discussed in this contribution. In particular some self-consistent but preliminary results will be presented addressing the following topics: - some details regarding the implementation of the liquid model for Gibbs free energy minimizations, - the physically consistent behavior of thermodynamic properties of certain solid phases like (Fe,O,Si) BCC, FCC, HCP and liquid components, - selected phase diagrams at core conditions in the system Fe-Si-O, - derived geotherms linking the inner-outer core with the core-mantle boundary. - brief outline of the future geodynamic applications.

Optimal network modification for spectral radius dependent phase transitions

NASA Astrophysics Data System (ADS)

Rosen, Yonatan; Kirsch, Lior; Louzoun, Yoram

2016-09-01

The dynamics of contact processes on networks is often determined by the spectral radius of the networks adjacency matrices. A decrease of the spectral radius can prevent the outbreak of an epidemic, or impact the synchronization among systems of coupled oscillators. The spectral radius is thus tightly linked to network dynamics and function. As such, finding the minimal change in network structure necessary to reach the intended spectral radius is important theoretically and practically. Given contemporary big data resources such as large scale communication or social networks, this problem should be solved with a low runtime complexity. We introduce a novel method for the minimal decrease in weights of edges required to reach a given spectral radius. The problem is formulated as a convex optimization problem, where a global optimum is guaranteed. The method can be easily adjusted to an efficient discrete removal of edges. We introduce a variant of the method which finds optimal decrease with a focus on weights of vertices. The proposed algorithm is exceptionally scalable, solving the problem for real networks of tens of millions of edges in a short time.

Bracket formulations and energy- and helicity-preserving numerical methods for incompressible two-phase flows

NASA Astrophysics Data System (ADS)

Suzuki, Yukihito

2018-03-01

A diffuse interface model for three-dimensional viscous incompressible two-phase flows is formulated within a bracket formalism using a skew-symmetric Poisson bracket together with a symmetric negative semi-definite dissipative bracket. The budgets of kinetic energy, helicity, and enstrophy derived from the bracket formulations are properly inherited by the finite difference equations obtained by invoking the discrete variational derivative method combined with the mimetic finite difference method. The Cahn-Hilliard and Allen-Cahn equations are employed as diffuse interface models, in which the equalities of densities and viscosities of two different phases are assumed. Numerical experiments on the motion of periodic arrays of tubes and those of droplets have been conducted to examine the properties and usefulness of the proposed method.

Anisotropic norm-oriented mesh adaptation for a Poisson problem

NASA Astrophysics Data System (ADS)

Brèthes, Gautier; Dervieux, Alain

2016-10-01

We present a novel formulation for the mesh adaptation of the approximation of a Partial Differential Equation (PDE). The discussion is restricted to a Poisson problem. The proposed norm-oriented formulation extends the goal-oriented formulation since it is equation-based and uses an adjoint. At the same time, the norm-oriented formulation somewhat supersedes the goal-oriented one since it is basically a solution-convergent method. Indeed, goal-oriented methods rely on the reduction of the error in evaluating a chosen scalar output with the consequence that, as mesh size is increased (more degrees of freedom), only this output is proven to tend to its continuous analog while the solution field itself may not converge. A remarkable quality of goal-oriented metric-based adaptation is the mathematical formulation of the mesh adaptation problem under the form of the optimization, in the well-identified set of metrics, of a well-defined functional. In the new proposed formulation, we amplify this advantage. We search, in the same well-identified set of metrics, the minimum of a norm of the approximation error. The norm is prescribed by the user and the method allows addressing the case of multi-objective adaptation like, for example in aerodynamics, adaptating the mesh for drag, lift and moment in one shot. In this work, we consider the basic linear finite-element approximation and restrict our study to L2 norm in order to enjoy second-order convergence. Numerical examples for the Poisson problem are computed.

Algorithms for bilevel optimization

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia; Dennis, J. E., Jr.

1994-01-01

General multilevel nonlinear optimization problems arise in design of complex systems and can be used as a means of regularization for multi-criteria optimization problems. Here, for clarity in displaying our ideas, we restrict ourselves to general bi-level optimization problems, and we present two solution approaches. Both approaches use a trust-region globalization strategy, and they can be easily extended to handle the general multilevel problem. We make no convexity assumptions, but we do assume that the problem has a nondegenerate feasible set. We consider necessary optimality conditions for the bi-level problem formulations and discuss results that can be extended to obtain multilevel optimization formulations with constraints at each level.

Computational cost of two alternative formulations of Cahn-Hilliard equations

NASA Astrophysics Data System (ADS)

Paszyński, Maciej; Gurgul, Grzegorz; Łoś, Marcin; Szeliga, Danuta

2018-05-01

In this paper we propose two formulations of Cahn-Hilliard equations, which have several applications in cancer growth modeling and material science phase-field simulations. The first formulation uses one C4 partial differential equations (PDEs) the second one uses two C2 PDEs. Finally, we compare the computational costs of direct solvers for both formulations, using the refined isogeometric analysis (rIGA) approach.

A chance constraint estimation approach to optimizing resource management under uncertainty

Treesearch

Michael Bevers

2007-01-01

Chance-constrained optimization is an important method for managing risk arising from random variations in natural resource systems, but the probabilistic formulations often pose mathematical programming problems that cannot be solved with exact methods. A heuristic estimation method for these problems is presented that combines a formulation for order statistic...

Variational formulation for Black-Scholes equations in stochastic volatility models

NASA Astrophysics Data System (ADS)

Gyulov, Tihomir B.; Valkov, Radoslav L.

2012-11-01

In this note we prove existence and uniqueness of weak solutions to a boundary value problem arising from stochastic volatility models in financial mathematics. Our settings are variational in weighted Sobolev spaces. Nevertheless, as it will become apparent our variational formulation agrees well with the stochastic part of the problem.

Green's function solution to radiative heat transfer between longitudinal gray fins

NASA Technical Reports Server (NTRS)

Frankel, J. I.; Silvestri, J. J.

1991-01-01

A demonstration is presented of the applicability and versatility of a pure integral formulation for radiative-conductive heat-transfer problems. Preliminary results have been obtained which indicate that this formulation allows an accurate, fast, and stable computation procedure to be implemented. Attention is given to the accessory problem defining Green's function.

Flux-Based Finite Volume representations for general thermal problems

NASA Technical Reports Server (NTRS)

Mohan, Ram V.; Tamma, Kumar K.

1993-01-01

Flux-Based Finite Volume (FV) element representations for general thermal problems are given in conjunction with a generalized trapezoidal gamma-T family of algorithms, formulated following the spirit of what we term as the Lax-Wendroff based FV formulations. The new flux-based representations introduced offer an improved physical interpretation of the problem along with computationally convenient and attractive features. The space and time discretization emanate from a conservation form of the governing equation for thermal problems, and in conjunction with the flux-based element representations give rise to a physically improved and locally conservative numerical formulations. The present representations seek to involve improved locally conservative properties, improved physical representations and computational features; these are based on a 2D, bilinear FV element and can be extended for other cases. Time discretization based on a gamma-T family of algorithms in the spirit of a Lax-Wendroff based FV formulations are employed. Numerical examples involving linear/nonlinear steady and transient situations are shown to demonstrate the applicability of the present representations for thermal analysis situations.

Deep Space Network Scheduling Using Evolutionary Computational Methods

NASA Technical Reports Server (NTRS)

Guillaume, Alexandre; Lee, Seugnwon; Wang, Yeou-Fang; Terrile, Richard J.

2007-01-01

The paper presents the specific approach taken to formulate the problem in terms of gene encoding, fitness function, and genetic operations. The genome is encoded such that a subset of the scheduling constraints is automatically satisfied. Several fitness functions are formulated to emphasize different aspects of the scheduling problem. The optimal solutions of the different fitness functions demonstrate the trade-off of the scheduling problem and provide insight into a conflict resolution process.

Stability of whole inactivated influenza virus vaccine during coating onto metal microneedles

PubMed Central

Choi, Hyo-Jick; Bondy, Brian J.; Yoo, Dae-Goon; Compans, Richard W.; Kang, Sang-Moo; Prausnitz, Mark R.

2012-01-01

Immunization using a microneedle patch coated with vaccine offers the promise of simplified vaccination logistics and increased vaccine immunogenicity. This study examined the stability of influenza vaccine during the microneedle coating process, with a focus on the role of coating formulation excipients. Thick, uniform coatings were obtained using coating formulations containing a viscosity enhancer and surfactant, but these formulations retained little functional vaccine hemagglutinin (HA) activity after coating. Vaccine coating in a trehalose-only formulation retained about 40 – 50% of vaccine activity, which is a significant improvement. The partial viral activity loss observed in the trehalose-only formulation was hypothesized to come from osmotic pressure-induced vaccine destabilization. We found that inclusion of a viscosity enhancer, carboxymethyl cellulose, overcame this effect and retained full vaccine activity on both washed and plasma-cleaned titanium surfaces. The addition of polymeric surfactant, Lutrol® micro 68, to the trehalose formulation generated phase transformations of the vaccine coating, such as crystallization and phase separation, which was correlated to additional vaccine activity loss, especially when coating on hydrophilic, plasma-cleaned titanium. Again, the addition of a viscosity enhancer suppressed the surfactant-induced phase transformations during drying, which was confirmed by in vivo assessment of antibody response and survival rate after immunization in mice. We conclude that trehalose and a viscosity enhancer are beneficial coating excipients, but the inclusion of surfactant is detrimental to vaccine stability. PMID:23246470

Model-Mapped RPA for Determining the Effective Coulomb Interaction

NASA Astrophysics Data System (ADS)

Sakakibara, Hirofumi; Jang, Seung Woo; Kino, Hiori; Han, Myung Joon; Kuroki, Kazuhiko; Kotani, Takao

2017-04-01

We present a new method to obtain a model Hamiltonian from first-principles calculations. The effective interaction contained in the model is determined on the basis of random phase approximation (RPA). In contrast to previous methods such as projected RPA and constrained RPA (cRPA), the new method named "model-mapped RPA" takes into account the long-range part of the polarization effect to determine the effective interaction in the model. After discussing the problems of cRPA, we present the formulation of the model-mapped RPA, together with a numerical test for the single-band Hubbard model of HgBa2CuO4.

Dynamic map labeling.

PubMed

Been, Ken; Daiches, Eli; Yap, Chee

2006-01-01

We address the problem of filtering, selecting and placing labels on a dynamic map, which is characterized by continuous zooming and panning capabilities. This consists of two interrelated issues. The first is to avoid label popping and other artifacts that cause confusion and interrupt navigation, and the second is to label at interactive speed. In most formulations the static map labeling problem is NP-hard, and a fast approximation might have O(nlogn) complexity. Even this is too slow during interaction, when the number of labels shown can be several orders of magnitude less than the number in the map. In this paper we introduce a set of desiderata for "consistent" dynamic map labeling, which has qualities desirable for navigation. We develop a new framework for dynamic labeling that achieves the desiderata and allows for fast interactive display by moving all of the selection and placement decisions into the preprocessing phase. This framework is general enough to accommodate a variety of selection and placement algorithms. It does not appear possible to achieve our desiderata using previous frameworks. Prior to this paper, there were no formal models of dynamic maps or of dynamic labels; our paper introduces both. We formulate a general optimization problem for dynamic map labeling and give a solution to a simple version of the problem. The simple version is based on label priorities and a versatile and intuitive class of dynamic label placements we call "invariant point placements". Despite these restrictions, our approach gives a useful and practical solution. Our implementation is incorporated into the G-Vis system which is a full-detail dynamic map of the continental USA. This demo is available through any browser.

Continued research on selected parameters to minimize community annoyance from airplane noise

NASA Technical Reports Server (NTRS)

Frair, L.

1981-01-01

Results from continued research on selected parameters to minimize community annoyance from airport noise are reported. First, a review of the initial work on this problem is presented. Then the research focus is expanded by considering multiobjective optimization approaches for this problem. A multiobjective optimization algorithm review from the open literature is presented. This is followed by the multiobjective mathematical formulation for the problem of interest. A discussion of the appropriate solution algorithm for the multiobjective formulation is conducted. Alternate formulations and associated solution algorithms are discussed and evaluated for this airport noise problem. Selected solution algorithms that have been implemented are then used to produce computational results for example airports. These computations involved finding the optimal operating scenario for a moderate size airport and a series of sensitivity analyses for a smaller example airport.

Surface and through crack problems in orthotropic plates

NASA Technical Reports Server (NTRS)

Erdogan, F.; Wu, B.-H.

1988-01-01

The present treatment of the general mode I crack problem in bending- and membrane-loaded orthotropic plates proceeds by formulating the bending problem for a series of planar and through-cracks; by independently varying the six independent constants, the effect of material orthotropy on the stress intensity factor is determined. The surface-crack problem is then formulated by means of the line-spring model, using a transverse-shear theory of plate bending. Attention is given to composite laminates with through-cracks or semielliptic surface cracks. A significant effect is noted for material orthotropy.

Solvability of the electrocardiology inverse problem for a moving dipole.

PubMed

Tolkachev, V; Bershadsky, B; Nemirko, A

1993-01-01

New formulations of the direct and inverse problems for the moving dipole are offered. It has been suggested to limit the study by a small area on the chest surface. This lowers the role of the medium inhomogeneity. When formulating the direct problem, irregular components are considered. The algorithm of simultaneous determination of the dipole and regular noise parameters has been described and analytically investigated. It is shown that temporal overdetermination of the equations offers a single solution of the inverse problem for the four leads.

Phase 0 Clinical Chemoprevention Trial of the AKT Inhibitor SR13668

PubMed Central

Reid, Joel M.; Walden, Chad; Qin, Rui; Allen Ziegler, Katie L.; Haslam, John L.; Rajewski, Roger A.; Warndahl, Roger; Fitting, Cindy L.; Boring, Daniel; Szabo, Eva; Crowell, James; Perloff, Marjorie; Jong, Ling; Mandrekar, Sumithra J.; Ames, Matthew M.; Limburg, Paul J.

2011-01-01

Purpose SR13668, an orally active AKT pathway inhibitor, has demonstrated cancer chemopreventive potential in preclinical studies. To accelerate the clinical development of this promising agent, we designed and conducted the first-ever phase 0 chemoprevention trial to evaluate and compare the effects of food and formulation on SR13668 bioavailability. Patients and Methods Healthy adult volunteers were randomly assigned to receive a single, 38 mg oral dose of SR13668 in one of five different formulations, with or without food. Based on existing animal data, SR13668 in a PEG400/Labrasol® oral solution was defined as the reference formulation. Blood samples were obtained pre- and post-agent administration for pharmacokinetic analyses. Area under the plasma concentration-time curve (AUC0-∞) was defined as the primary endpoint. Data were analyzed and compared using established statistical methods for phase 0 trials with a limited sample size. Results Participants (N=20) were rapidly accrued over a 5-month period. Complete pharmacokinetic data were available for 18 randomized participants. AUC0-∞ values were highest in the fed state (range = 122–439 ng/mL × hours) and were statistically significantly different across formulations (p = 0.007), with Solutol® HS15 providing the highest bioavailability. SR13668 time to peak plasma concentration (3 hours; range, 2 – 6 hours) and half-life were (11.2 ± 3.1 hours) were not formulation dependent. Conclusions Using a novel, highly efficient study design, we rapidly identified a lead formulation of SR13668 for further clinical testing. Our findings support application of the phase 0 trial paradigm to accelerate chemoprevention agent development. PMID:21372034

High drug loading self-microemulsifying/micelle formulation: design by high-throughput formulation screening system and in vivo evaluation.

PubMed

Sakai, Kenichi; Obata, Kouki; Yoshikawa, Mayumi; Takano, Ryusuke; Shibata, Masaki; Maeda, Hiroyuki; Mizutani, Akihiko; Terada, Katsuhide

2012-10-01

To design a high drug loading formulation of self-microemulsifying/micelle system. A poorly-soluble model drug (CH5137291), 8 hydrophilic surfactants (HS), 10 lipophilic surfactants (LS), 5 oils, and PEG400 were used. A high loading formulation was designed by a following stepwise approach using a high-throughput formulation screening (HTFS) system: (1) an oil/solvent was selected by solubility of the drug; (2) a suitable HS for highly loading was selected by the screenings of emulsion/micelle size and phase stability in binary systems (HS, oil/solvent) with increasing loading levels; (3) a LS that formed a broad SMEDDS/micelle area on a phase diagram containing the HS and oil/solvent was selected by the same screenings; (4) an optimized formulation was selected by evaluating the loading capacity of the crystalline drug. Aqueous solubility behavior and oral absorption (Beagle dog) of the optimized formulation were compared with conventional formulations (jet-milled, PEG400). As an optimized formulation, d-α-tocopheryl polyoxyethylene 1000 succinic ester: PEG400 = 8:2 was selected, and achieved the target loading level (200 mg/mL). The formulation formed fine emulsion/micelle (49.1 nm), and generated and maintained a supersaturated state at a higher level compared with the conventional formulations. In the oral absorption test, the area under the plasma concentration-time curve of the optimized formulation was 16.5-fold higher than that of the jet-milled formulation. The high loading formulation designed by the stepwise approach using the HTFS system improved the oral absorption of the poorly-soluble model drug.

Advanced development of BEM for elastic and inelastic dynamic analysis of solids

NASA Technical Reports Server (NTRS)

Banerjee, P. K.; Ahmad, S.; Wang, H. C.

1989-01-01

Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.

New taxanes in development.

PubMed

Ferlini, Cristiano; Gallo, Daniela; Scambia, Giovanni

2008-03-01

Taxanes are presently widely employed for the medical treatment of cancer. However, despite the huge clinical success, these agents exhibit clinical problems related to poor drug solubility, toxicity and, in particular, drug resistance. To identify the critical points related to the process of development of novel taxanes. Publicly available data on the paclitaxel and docetaxel analogues, which have entered a clinical development phase in the last 2 years have been taken into consideration. The development involved novel formulations of paclitaxel and novel chemical entities. For each agent in each category the development phase is analysed and a synthetic comment for each category is included. Despite all the efforts, until now clinical success with the new development of taxanes has been limited. Moreover, the expected clinical introduction of epothilones could further restrict the space for development of novel taxanes. Despite these facts, some interesting concepts emerged during the process of development and could lead to successful drugs in the forthcoming years.

Benchmarks for single-phase flow in fractured porous media

NASA Astrophysics Data System (ADS)

Flemisch, Bernd; Berre, Inga; Boon, Wietse; Fumagalli, Alessio; Schwenck, Nicolas; Scotti, Anna; Stefansson, Ivar; Tatomir, Alexandru

2018-01-01

This paper presents several test cases intended to be benchmarks for numerical schemes for single-phase fluid flow in fractured porous media. A number of solution strategies are compared, including a vertex and two cell-centred finite volume methods, a non-conforming embedded discrete fracture model, a primal and a dual extended finite element formulation, and a mortar discrete fracture model. The proposed benchmarks test the schemes by increasing the difficulties in terms of network geometry, e.g. intersecting fractures, and physical parameters, e.g. low and high fracture-matrix permeability ratio as well as heterogeneous fracture permeabilities. For each problem, the results presented are the number of unknowns, the approximation errors in the porous matrix and in the fractures with respect to a reference solution, and the sparsity and condition number of the discretized linear system. All data and meshes used in this study are publicly available for further comparisons.

A Matrix-Free Algorithm for Multidisciplinary Design Optimization

NASA Astrophysics Data System (ADS)

Lambe, Andrew Borean

Multidisciplinary design optimization (MDO) is an approach to engineering design that exploits the coupling between components or knowledge disciplines in a complex system to improve the final product. In aircraft design, MDO methods can be used to simultaneously design the outer shape of the aircraft and the internal structure, taking into account the complex interaction between the aerodynamic forces and the structural flexibility. Efficient strategies are needed to solve such design optimization problems and guarantee convergence to an optimal design. This work begins with a comprehensive review of MDO problem formulations and solution algorithms. First, a fundamental MDO problem formulation is defined from which other formulations may be obtained through simple transformations. Using these fundamental problem formulations, decomposition methods from the literature are reviewed and classified. All MDO methods are presented in a unified mathematical notation to facilitate greater understanding. In addition, a novel set of diagrams, called extended design structure matrices, are used to simultaneously visualize both data communication and process flow between the many software components of each method. For aerostructural design optimization, modern decomposition-based MDO methods cannot efficiently handle the tight coupling between the aerodynamic and structural states. This fact motivates the exploration of methods that can reduce the computational cost. A particular structure in the direct and adjoint methods for gradient computation motivates the idea of a matrix-free optimization method. A simple matrix-free optimizer is developed based on the augmented Lagrangian algorithm. This new matrix-free optimizer is tested on two structural optimization problems and one aerostructural optimization problem. The results indicate that the matrix-free optimizer is able to efficiently solve structural and multidisciplinary design problems with thousands of variables and constraints. On the aerostructural test problem formulated with thousands of constraints, the matrix-free optimizer is estimated to reduce the total computational time by up to 90% compared to conventional optimizers.

A Matrix-Free Algorithm for Multidisciplinary Design Optimization

NASA Astrophysics Data System (ADS)

Lambe, Andrew Borean

Multidisciplinary design optimization (MDO) is an approach to engineering design that exploits the coupling between components or knowledge disciplines in a complex system to improve the final product. In aircraft design, MDO methods can be used to simultaneously design the outer shape of the aircraft and the internal structure, taking into account the complex interaction between the aerodynamic forces and the structural flexibility. Efficient strategies are needed to solve such design optimization problems and guarantee convergence to an optimal design. This work begins with a comprehensive review of MDO problem formulations and solution algorithms. First, a fundamental MDO problem formulation is defined from which other formulations may be obtained through simple transformations. Using these fundamental problem formulations, decomposition methods from the literature are reviewed and classified. All MDO methods are presented in a unified mathematical notation to facilitate greater understanding. In addition, a novel set of diagrams, called extended design structure matrices, are used to simultaneously visualize both data communication and process flow between the many software components of each method. For aerostructural design optimization, modern decomposition-based MDO methods cannot efficiently handle the tight coupling between the aerodynamic and structural states. This fact motivates the exploration of methods that can reduce the computational cost. A particular structure in the direct and adjoint methods for gradient computation. motivates the idea of a matrix-free optimization method. A simple matrix-free optimizer is developed based on the augmented Lagrangian algorithm. This new matrix-free optimizer is tested on two structural optimization problems and one aerostructural optimization problem. The results indicate that the matrix-free optimizer is able to efficiently solve structural and multidisciplinary design problems with thousands of variables and constraints. On the aerostructural test problem formulated with thousands of constraints, the matrix-free optimizer is estimated to reduce the total computational time by up to 90% compared to conventional optimizers.

Novel microemulsion-based gel formulation of tazarotene for therapy of acne.

PubMed

Patel, Mrunali Rashmin; Patel, Rashmin Bharatbhai; Parikh, Jolly R; Patel, Bharat G

2016-12-01

The objective of this study was to develop and evaluate a novel microemulsion based gel formulation containing tazarotene for targeted topical therapy of acne. Psudoternary phase diagrams were constructed to obtain the concentration range of oil, surfactant, and co-surfactant for microemulsion formation. The optimized microemulsion formulation containing 0.05% tazarotene was formulated by spontaneous microemulsification method consisting of 10% Labrafac CC, mixed emulsifiers 15% Labrasol-Cremophor-RH 40 (1:1), 15% Capmul MCM, and 60% distilled water (w/w) as an external phase. All plain and tazarotene-loaded microemulsions were clear and showed physicochemical parameters for desired topical delivery and stability. The permeation profiles of tazarotene through rat skin from optimized microemulsion formulation followed the Higuchi model for controlled permeation. Microemulsion-based gel was prepared by incorporating Carbopol®971P NF in optimized microemulsion formulation having suitable skin permeation rate and skin uptake. Microemulsion-based gel showed desired physicochemical parameters and demonstrated advantage over marketed formulation in improving the skin tolerability of tazarotene indicating its potential in improving its topical delivery. The developed microemulsion-based gel may be a potential drug delivery vehicle for targeted topical delivery of tazarotene in the treatment of acne.

Moses Lake Fishery Restoration Project : FY 1999 Annual Report.

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

None given

2000-12-01

The Moses Lake Project consists of 3 phases. Phase 1 is the assessment of all currently available physical and biological information, the collection of baseline biological data, the formulation of testable hypotheses, and the development of a detailed study plan to test the hypotheses. Phase 2 is dedicated to the implementation of the study plan including data collection, hypotheses testing, and the formulation of a management plan. Phase 3 of the project is the implementation of the management plan, monitoring and evaluation of the implemented recommendations. The project intends to restore the failed recreational fishery for panfish species (black crappie,more » bluegill and yellow perch) in Moses Lake as off site mitigation for lost recreational fishing opportunities for anadromous species in the upper Columbia River. This report summarizes the results of Phase 1 investigations and presents the study plan directed at initiating Phase 2 of the project. Phase 1of the project culminates with the formulation of testable hypotheses directed at investigating possible limiting factors to the production of panfish in Moses Lake. The limiting factors to be investigated will include water quality, habitat quantity and quality, food limitations, competition, recruitment, predation, over harvest, environmental requirements, and the physical and chemical limitations of the system in relation to the fishes.« less

University Students' Strategies for Constructing Hypothesis When Tackling Paper-and-Pencil Tasks in Physics

ERIC Educational Resources Information Center

Guisasola, Jenaro; Ceberio, Mikel; Zubimendi, Jose Luis

2006-01-01

The study we present tries to explore how first year engineering students formulate hypotheses in order to construct their own problem solving structure when confronted with problems in physics. Under the constructivistic perspective of the teaching-learning process, the formulation of hypotheses plays a key role in contrasting the coherence of…

Formulating a stand-growth model for mathematical programming problems in Appalachian forests

Treesearch

Gary W. Miller; Jay Sullivan

1993-01-01

Some growth and yield simulators applicable to central hardwood forests can be formulated for use in mathematical programming models that are designed to optimize multi-stand, multi-resource management problems. Once in the required format, growth equations serve as model constraints, defining the dynamics of stand development brought about by harvesting decisions. In...

Between universalism and relativism: a conceptual exploration of problems in formulating and applying international biomedical ethical guidelines.

PubMed

Tangwa, G B

2004-02-01

In this paper, the author attempts to explore some of the problems connected with the formulation and application of international biomedical ethical guidelines, with particular reference to Africa. Recent attempts at revising and updating some international medical ethical guidelines have been bedevilled by intractable controversies and wrangling regarding both the content and formulation. From the vantage position of relative familiarity with both African and Western contexts, and the privilege of having been involved in the revision and updating of one of the international ethical guidelines, the author reflects broadly on these issues and attempts prescribing an approach from both the theoretical and practical angles liable to mitigate, if not completely eliminate, some of the problems and difficulties.

A set-covering formulation for a drayage problem with single and double container loads

NASA Astrophysics Data System (ADS)

Ghezelsoflu, A.; Di Francesco, M.; Frangioni, A.; Zuddas, P.

2018-01-01

This paper addresses a drayage problem, which is motivated by the case study of a real carrier. Its trucks carry one or two containers from a port to importers and from exporters to the port. Since up to four customers can be served in each route, we propose a set-covering formulation for this problem where all possible routes are enumerated. This model can be efficiently solved to optimality by a commercial solver, significantly outperforming a previously proposed node-arc formulation. Moreover, the model can be effectively used to evaluate a new distribution policy, which results in an enlarged set of feasible routes and can increase savings w.r.t. the policy currently employed by the carrier.

A seamless phase IIB/III adaptive outcome trial: design rationale and implementation challenges.

PubMed

Chen, Y H Joshua; Gesser, Richard; Luxembourg, Alain

2015-02-01

The licensed four-valent prophylactic human papillomavirus vaccine is highly efficacious in preventing cervical, vulvar, vaginal, and anal cancers and related precancers caused by human papillomavirus types 6, 11, 16, and 18. These four types account for approximately 70% of cervical cancers. A nine-valent human papillomavirus vaccine, including the four original types (6, 11, 16, and 18) plus the next five most prevalent types in cervical cancer (31, 33, 45, 52, and 58) could provide approximately 90% overall cervical cancer coverage. To expedite the nine-valent human papillomavirus vaccine clinical development, an adaptive, seamless Phase IIB/III outcome trial with ∼ 15,000 subjects was conducted to facilitate dose formulation selection and provide pivotal evidence of safety and efficacy for regulatory registrations. We discuss the design rationale and implementation challenges of the outcome trial, focusing on the adaptive feature of the seamless Phase IIB/III design. Subjects were enrolled in two parts (Part A and Part B). Approximately 1240 women, 16-26 years of age, were enrolled in Part A for Phase IIB evaluation and equally randomized to one of three dose formulations of the nine-valent human papillomavirus vaccine or the four-valent human papillomavirus vaccine (active control). Based on an interim analysis of immunogenicity and safety, one dose formulation of the nine-valent human papillomavirus vaccine was selected for evaluation in the Phase III part of the study. Subjects enrolled in Part A who received the selected dose formulation of the nine-valent human papillomavirus vaccine or four-valent human papillomavirus vaccine continued to be followed up and contributed to the final efficacy and safety analyses. In addition, ∼ 13,400 women 16-26 years of age were enrolled in Part B, randomized to nine-valent human papillomavirus vaccine at the selected dose formulation or four-valent human papillomavirus vaccine, and followed for immunogenicity, efficacy, and safety. A seamless Phase IIB/III design was justified by the extensive pre-existing knowledge of the licensed four-valent human papillomavirus vaccine and the development objectives for the nine-valent human papillomavirus vaccine. Subjects enrolled in Part A who received either the selected nine-valent human papillomavirus formulation or four-valent human papillomavirus vaccine contributed ∼ 10% of person-years of follow-up due to its earlier start-thereby maximizing the overall efficiency of the trial. Some of the challenges encountered in the implementation of the adaptive design included practical considerations during Phase IIB formulation selection by internal and external committees, End-of-Phase II discussion with health authorities and managing changes in the assay for immunological endpoints. Application of the experience and lesson learned from this seamless adaptive design to other clinical programs may depend on case-by-case consideration. A seamless Phase IIB/III adaptive design was successfully implemented in this large outcome study. The development time of the second-generation nine-valent human papillomavirus vaccine was shortened due to improved statistical efficiency. © The Author(s) 2014.

Ultrasonication-assisted preparation and characterization of emulsions and emulsion gels for topical drug delivery.

PubMed

Singh, Vinay K; Behera, Baikuntha; Pramanik, Krishna; Pal, Kunal

2015-03-01

The current study describes the use of ultrasonication for the preparation of biphasic emulsions and emulsion gels for topical drug delivery. Sorbitan monostearate (SMS) was used as the surfactant for stabilizing the interface of sesame oil (apolar phase) and water (polar phase). Emulsions were formed at lower concentrations of SMS, whereas emulsion gels were formed at higher concentrations of SMS. The formulations were characterized by fluorescent microscopy, X-ray diffraction, viscosity, stress relaxation, spreadability, and differential scanning calorimetry studies. Fluorescence microscopy suggested formation of oil-in-water type of formulations. There was an increase in the viscosity, bulk resistance, and firmness of the formulations as the proportions of SMS was increased. The emulsion gels were viscoelastic in nature. Thermal studies suggested higher thermodynamic stability at higher proportions of either SMS or water. Metronidazole, a model antimicrobial drug, was incorporated within the formulations. The release of the drug from the formulations was found to be diffusion mediated. The drug-loaded formulations showed sufficient antimicrobial efficiency to be used as carriers for topical antimicrobial drug delivery. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Goal formulation and tracking in child mental health settings: when is it more likely and is it associated with satisfaction with care?

PubMed

Jacob, Jenna; De Francesco, Davide; Deighton, Jessica; Law, Duncan; Wolpert, Miranda; Edbrooke-Childs, Julian

2017-07-01

Goal formulation and tracking may support preference-based care. Little is known about the likelihood of goal formulation and tracking and associations with care satisfaction. Logistic and Poisson stepwise regressions were performed on clinical data for N = 3757 children from 32 services in the UK (M age  = 11; SD age  = 3.75; most common clinician-reported presenting problem was emotional problems = 55.6%). Regarding the likelihood of goal formulation, it was more likely for pre-schoolers, those with learning difficulties or those with both hyperactivity disorder and conduct disorder. Regarding the association between goal formulation and tracking and satisfaction with care, parents of children with goals information were more likely to report complete satisfaction by scoring at the maximum of the scale. Findings of the present research suggest that goal formulation and tracking may be an important part of patient satisfaction with care. Clinicians should be encouraged to consider goal formulation and tracking when it is clinically meaningful as a means of promoting collaborative practice.

Application of fuzzy theories to formulation of multi-objective design problems. [for helicopters

NASA Technical Reports Server (NTRS)

Dhingra, A. K.; Rao, S. S.; Miura, H.

1988-01-01

Much of the decision making in real world takes place in an environment in which the goals, the constraints, and the consequences of possible actions are not known precisely. In order to deal with imprecision quantitatively, the tools of fuzzy set theory can by used. This paper demonstrates the effectiveness of fuzzy theories in the formulation and solution of two types of helicopter design problems involving multiple objectives. The first problem deals with the determination of optimal flight parameters to accomplish a specified mission in the presence of three competing objectives. The second problem addresses the optimal design of the main rotor of a helicopter involving eight objective functions. A method of solving these multi-objective problems using nonlinear programming techniques is presented. Results obtained using fuzzy formulation are compared with those obtained using crisp optimization techniques. The outlined procedures are expected to be useful in situations where doubt arises about the exactness of permissible values, degree of credibility, and correctness of statements and judgements.

Solving Connected Subgraph Problems in Wildlife Conservation

NASA Astrophysics Data System (ADS)

Dilkina, Bistra; Gomes, Carla P.

We investigate mathematical formulations and solution techniques for a variant of the Connected Subgraph Problem. Given a connected graph with costs and profits associated with the nodes, the goal is to find a connected subgraph that contains a subset of distinguished vertices. In this work we focus on the budget-constrained version, where we maximize the total profit of the nodes in the subgraph subject to a budget constraint on the total cost. We propose several mixed-integer formulations for enforcing the subgraph connectivity requirement, which plays a key role in the combinatorial structure of the problem. We show that a new formulation based on subtour elimination constraints is more effective at capturing the combinatorial structure of the problem, providing significant advantages over the previously considered encoding which was based on a single commodity flow. We test our formulations on synthetic instances as well as on real-world instances of an important problem in environmental conservation concerning the design of wildlife corridors. Our encoding results in a much tighter LP relaxation, and more importantly, it results in finding better integer feasible solutions as well as much better upper bounds on the objective (often proving optimality or within less than 1% of optimality), both when considering the synthetic instances as well as the real-world wildlife corridor instances.

Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

NASA Astrophysics Data System (ADS)

Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei

2018-01-01

The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

Hydrodynamic Stability of Multicomponent Droplet Gasification in Reduced Gravity

NASA Technical Reports Server (NTRS)

Aharon, I.; Shaw, B. D.

1995-01-01

This investigation addresses the problem of hydrodynamic stability of a two-component droplet undergoing spherically-symmetrical gasification. The droplet components are assumed to have characteristic liquid species diffusion times that are large relative to characteristic droplet surface regression times. The problem is formulated as a linear stability analysis, with a goal of predicting when spherically-symmetric droplet gasification can be expected to be hydrodynamically unstable from surface-tension gradients acting along the surface of a droplet which result from perturbations. It is found that for the conditions assumed in this paper (quasisteady gas phase, no initial droplet temperature gradients, diffusion-dominated gasification), surface tension gradients do not play a role in the stability characteristics. In addition, all perturbations are predicted to decay such that droplets were hydrodynamically stable. Conditions are identified, however, that deserve more analysis as they may lead to hydrodynamic instabilities driven by capillary effects.

Short-Term State Forecasting-Based Optimal Voltage Regulation in Distribution Systems: Preprint

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

Yang, Rui; Jiang, Huaiguang; Zhang, Yingchen

2017-05-17

A novel short-term state forecasting-based optimal power flow (OPF) approach for distribution system voltage regulation is proposed in this paper. An extreme learning machine (ELM) based state forecaster is developed to accurately predict system states (voltage magnitudes and angles) in the near future. Based on the forecast system states, a dynamically weighted three-phase AC OPF problem is formulated to minimize the voltage violations with higher penalization on buses which are forecast to have higher voltage violations in the near future. By solving the proposed OPF problem, the controllable resources in the system are optimally coordinated to alleviate the potential severemore » voltage violations and improve the overall voltage profile. The proposed approach has been tested in a 12-bus distribution system and simulation results are presented to demonstrate the performance of the proposed approach.« less

Integrated optimization of planetary rover layout and exploration routes

NASA Astrophysics Data System (ADS)

Lee, Dongoo; Ahn, Jaemyung

2018-01-01

This article introduces an optimization framework for the integrated design of a planetary surface rover and its exploration route that is applicable to the initial phase of a planetary exploration campaign composed of multiple surface missions. The scientific capability and the mobility of a rover are modelled as functions of the science weight fraction, a key parameter characterizing the rover. The proposed problem is formulated as a mixed-integer nonlinear program that maximizes the sum of profits obtained through a planetary surface exploration mission by simultaneously determining the science weight fraction of the rover, the sites to visit and their visiting sequences under resource consumption constraints imposed on each route and collectively on a mission. A solution procedure for the proposed problem composed of two loops (the outer loop and the inner loop) is developed. The results of test cases demonstrating the effectiveness of the proposed framework are presented.

An integral equation formulation for the diffraction from convex plates and polyhedra.

PubMed

Asheim, Andreas; Svensson, U Peter

2013-06-01

A formulation of the problem of scattering from obstacles with edges is presented. The formulation is based on decomposing the field into geometrical acoustics, first-order, and multiple-order edge diffraction components. An existing secondary-source model for edge diffraction from finite edges is extended to handle multiple diffraction of all orders. It is shown that the multiple-order diffraction component can be found via the solution to an integral equation formulated on pairs of edge points. This gives what can be called an edge source signal. In a subsequent step, this edge source signal is propagated to yield a multiple-order diffracted field, taking all diffraction orders into account. Numerical experiments demonstrate accurate response for frequencies down to 0 for thin plates and a cube. No problems with irregular frequencies, as happen with the Kirchhoff-Helmholtz integral equation, are observed for this formulation. For the axisymmetric scattering from a circular disc, a highly effective symmetric formulation results, and results agree with reference solutions across the entire frequency range.

Method of Implementing Digital Phase-Locked Loops

NASA Technical Reports Server (NTRS)

Stephens, Scott A. (Inventor); Thomas, J. Brooks (Inventor)

1997-01-01

In a new formulation for digital phase-locked loops, loop-filter constants are determined from loop roots that can each be selectively placed in the s-plane on the basis of a new set of parameters, each with simple and direct physical meaning in terms of loop noise bandwidth, root-specific decay rate, and root-specific damping. Loops of first to fourth order are treated in the continuous-update approximation (B(sub L)T approaches 0) and in a discrete-update formulation with arbitrary B(sub L)T. Deficiencies of the continuous-update approximation in large-B(sub L)T applications are avoided in the new discrete-update formulation.

Finite Nilpotent BRST Transformations in Hamiltonian Formulation

NASA Astrophysics Data System (ADS)

Rai, Sumit Kumar; Mandal, Bhabani Prasad

2013-10-01

We consider the finite field dependent BRST (FFBRST) transformations in the context of Hamiltonian formulation using Batalin-Fradkin-Vilkovisky method. The non-trivial Jacobian of such transformations is calculated in extended phase space. The contribution from Jacobian can be written as exponential of some local functional of fields which can be added to the effective Hamiltonian of the system. Thus, FFBRST in Hamiltonian formulation with extended phase space also connects different effective theories. We establish this result with the help of two explicit examples. We also show that the FFBRST transformations is similar to the canonical transformations in the sector of Lagrange multiplier and its corresponding momenta.

Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

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

Altmeyer, Michaela; Guterding, Daniel; Hirschfeld, P. J.

2016-12-21

In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Furthermore we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

On making cuts for magnetic scalar potentials in multiply connected regions

NASA Astrophysics Data System (ADS)

Kotiuga, P. R.

1987-04-01

The problem of making cuts is of importance to scalar potential formulations of three-dimensional eddy current problems. Its heuristic solution has been known for a century [J. C. Maxwell, A Treatise on Electricity and Magnetism, 3rd ed. (Clarendon, Oxford, 1981), Chap. 1, Article 20] and in the last decade, with the use of finite element methods, a restricted combinatorial variant has been proposed and solved [M. L. Brown, Int. J. Numer. Methods Eng. 20, 665 (1984)]. This problem, in its full generality, has never received a rigorous mathematical formulation. This paper presents such a formulation and outlines a rigorous proof of existence. The technique used in the proof expose the incredible intricacy of the general problem and the restrictive assumptions of Brown [Int. J. Numer. Methods Eng. 20, 665 (1984)]. Finally, the results make rigorous Kotiuga's (Ph. D. Thesis, McGill University, Montreal, 1984) heuristic interpretation of cuts and duality theorems via intersection matrices.

Microphase separation in solid lipid dosage forms as the cause of drug release instability.

PubMed

Lopes, Diogo Gomes; Koutsamanis, Ioannis; Becker, Karin; Scheibelhofer, Otto; Laggner, Peter; Haack, Detlev; Stehr, Michael; Zimmer, Andreas; Salar-Behzadi, Sharareh

2017-01-30

Although lipid excipients are of increasing interest for development of taste-masked and modified release formulations, the drug release instability and the lack of mechanistic understanding in that regard still prevent their larger-scale application. In this work, we investigated the physical stability of a binary (tripalmitin/polysorbate 65) lipid coating formulation with a known stable polymorphism. The coating composition was characterized using DSC to construct the phase diagram of binary system and polarized light microscopy to display the microstructure organization. The water uptake and the erosion of slabs cast from the coating formulations were investigated post-production and after storage. Subsequently, N-acetylcysteine particles were coated with the selected formulations and the drug release stability was investigated. Additionally, microstructure characterization was performed via SEM and X-ray diffraction. The drug release instability was explained by polysorbate 65 and tripalmitin phase growth during storage, especially at 40°C, suggesting that polysorbate 65 can leak out of tripalmitin spherulitic structures, creating lipophilic and impermeable tripalmitin regions. The growth of polysorbate 65 phase leads to larger hydrophilic channels with reduced tortuosity. This work indicates that for obtaining stable drug release profiles from advanced lipid formulations, microphase separation should be prevented during storage. Copyright © 2016 Elsevier B.V. All rights reserved.

The random fractional matching problem

NASA Astrophysics Data System (ADS)

Lucibello, Carlo; Malatesta, Enrico M.; Parisi, Giorgio; Sicuro, Gabriele

2018-05-01

We consider two formulations of the random-link fractional matching problem, a relaxed version of the more standard random-link (integer) matching problem. In one formulation, we allow each node to be linked to itself in the optimal matching configuration. In the other one, on the contrary, such a link is forbidden. Both problems have the same asymptotic average optimal cost of the random-link matching problem on the complete graph. Using a replica approach and previous results of Wästlund (2010 Acta Mathematica 204 91–150), we analytically derive the finite-size corrections to the asymptotic optimal cost. We compare our results with numerical simulations and we discuss the main differences between random-link fractional matching problems and the random-link matching problem.

Intranasal delivery of paroxetine nanoemulsion via the olfactory region for the management of depression: formulation, behavioural and biochemical estimation

NASA Astrophysics Data System (ADS)

Pandey, Yogendra Raj; Kumar, Shobhit; Gupta, Bijay Kumar; Ali, Javed; Baboota, Sanjula

2016-01-01

Paroxetine is a selective serotonin reuptake inhibitor (SSRI) and is used for the treatment of depression and anxiety problems, but suffers from the drawback of poor oral bioavailability (less than 50%) due to its extensive first pass metabolism. The objective of the present study was to develop a paroxetine loaded nanoemulsion (o/w type) for direct nose-to-brain delivery. Nanoemulsions were prepared by the spontaneous emulsification technique using Capmul MCM, Solutol HS 15 and propylene glycol as oil phase, surfactant and co-surfactant, respectively, for delivery of drug directly to the brain through the nasal route for better management of depression. Formulations were studied for droplet size, polydispersity index (PDI), percentage transmittance, refractive index, viscosity, zeta potential, surface morphology and in vitro permeation study. TEM images of optimized formulation showed spherical droplets with a mean diameter of 58.47 ± 3.02 nm, PDI of 0.339 ± 0.007 and zeta potential values of -33 mV. The formulation showed good results for transmittance (100.60 ± 0.577%), refractive index (1.412 ± 0.003) and viscosity (40.85 ± 6.40 cP). Permeation studies revealed a 2.57-fold enhancement in permeation as compared to the paroxetine suspension. Behavioural studies such as the forced swimming test and locomotor activity test were done on Wistar rats to study the antidepressant effect of the optimized formulation. Treatment of depressed rats with paroxetine nanoemulsion (administered intranasally) significantly improved the behavioural activities in comparison to paroxetine suspension (orally administered). Biochemical estimation results revealed that the prepared nanoemulsion was effective in enhancing the depressed levels of glutathione and decreasing the elevated levels of TBARS.

Learning Incoherent Sparse and Low-Rank Patterns from Multiple Tasks

PubMed Central

Chen, Jianhui; Liu, Ji; Ye, Jieping

2013-01-01

We consider the problem of learning incoherent sparse and low-rank patterns from multiple tasks. Our approach is based on a linear multi-task learning formulation, in which the sparse and low-rank patterns are induced by a cardinality regularization term and a low-rank constraint, respectively. This formulation is non-convex; we convert it into its convex surrogate, which can be routinely solved via semidefinite programming for small-size problems. We propose to employ the general projected gradient scheme to efficiently solve such a convex surrogate; however, in the optimization formulation, the objective function is non-differentiable and the feasible domain is non-trivial. We present the procedures for computing the projected gradient and ensuring the global convergence of the projected gradient scheme. The computation of projected gradient involves a constrained optimization problem; we show that the optimal solution to such a problem can be obtained via solving an unconstrained optimization subproblem and an Euclidean projection subproblem. We also present two projected gradient algorithms and analyze their rates of convergence in details. In addition, we illustrate the use of the presented projected gradient algorithms for the proposed multi-task learning formulation using the least squares loss. Experimental results on a collection of real-world data sets demonstrate the effectiveness of the proposed multi-task learning formulation and the efficiency of the proposed projected gradient algorithms. PMID:24077658

Learning Incoherent Sparse and Low-Rank Patterns from Multiple Tasks.

PubMed

Chen, Jianhui; Liu, Ji; Ye, Jieping

2012-02-01

We consider the problem of learning incoherent sparse and low-rank patterns from multiple tasks. Our approach is based on a linear multi-task learning formulation, in which the sparse and low-rank patterns are induced by a cardinality regularization term and a low-rank constraint, respectively. This formulation is non-convex; we convert it into its convex surrogate, which can be routinely solved via semidefinite programming for small-size problems. We propose to employ the general projected gradient scheme to efficiently solve such a convex surrogate; however, in the optimization formulation, the objective function is non-differentiable and the feasible domain is non-trivial. We present the procedures for computing the projected gradient and ensuring the global convergence of the projected gradient scheme. The computation of projected gradient involves a constrained optimization problem; we show that the optimal solution to such a problem can be obtained via solving an unconstrained optimization subproblem and an Euclidean projection subproblem. We also present two projected gradient algorithms and analyze their rates of convergence in details. In addition, we illustrate the use of the presented projected gradient algorithms for the proposed multi-task learning formulation using the least squares loss. Experimental results on a collection of real-world data sets demonstrate the effectiveness of the proposed multi-task learning formulation and the efficiency of the proposed projected gradient algorithms.

Multilevel Hierarchical Kernel Spectral Clustering for Real-Life Large Scale Complex Networks

PubMed Central

Mall, Raghvendra; Langone, Rocco; Suykens, Johan A. K.

2014-01-01

Kernel spectral clustering corresponds to a weighted kernel principal component analysis problem in a constrained optimization framework. The primal formulation leads to an eigen-decomposition of a centered Laplacian matrix at the dual level. The dual formulation allows to build a model on a representative subgraph of the large scale network in the training phase and the model parameters are estimated in the validation stage. The KSC model has a powerful out-of-sample extension property which allows cluster affiliation for the unseen nodes of the big data network. In this paper we exploit the structure of the projections in the eigenspace during the validation stage to automatically determine a set of increasing distance thresholds. We use these distance thresholds in the test phase to obtain multiple levels of hierarchy for the large scale network. The hierarchical structure in the network is determined in a bottom-up fashion. We empirically showcase that real-world networks have multilevel hierarchical organization which cannot be detected efficiently by several state-of-the-art large scale hierarchical community detection techniques like the Louvain, OSLOM and Infomap methods. We show that a major advantage of our proposed approach is the ability to locate good quality clusters at both the finer and coarser levels of hierarchy using internal cluster quality metrics on 7 real-life networks. PMID:24949877

The unified acoustic and aerodynamic prediction theory of advanced propellers in the time domain

NASA Technical Reports Server (NTRS)

Farassat, F.

1984-01-01

This paper presents some numerical results for the noise of an advanced supersonic propeller based on a formulation published last year. This formulation was derived to overcome some of the practical numerical difficulties associated with other acoustic formulations. The approach is based on the Ffowcs Williams-Hawkings equation and time domain analysis is used. To illustrate the method of solution, a model problem in three dimensions and based on the Laplace equation is solved. A brief sketch of derivation of the acoustic formula is then given. Another model problem is used to verify validity of the acoustic formulation. A recent singular integral equation for aerodynamic applications derived from the acoustic formula is also presented here.

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

Pei, Zongrui; Stocks, George Malcolm

The sensitivity in predicting glide behaviour of dislocations has been a long-standing problem in the framework of the Peierls-Nabarro model. The predictions of both the model itself and the analytic formulas based on it are too sensitive to the input parameters. In order to reveal the origin of this important problem in materials science, a new empirical-parameter-free formulation is proposed in the same framework. Unlike previous formulations, it includes only a limited small set of parameters all of which can be determined by convergence tests. Under special conditions the new formulation is reduced to its classic counterpart. In the lightmore » of this formulation, new relationships between Peierls stresses and the input parameters are identified, where the sensitivity is greatly reduced or even removed.« less

Drug Delivery Research: The Invention Cycle.

PubMed

Park, Kinam

2016-07-05

Controlled drug delivery systems have been successful in introducing improved formulations for better use of existing drugs and novel delivery of biologicals. The initial success of producing many oral products and some injectable depot formulations, however, reached a plateau, and the progress over the past three decades has been slow. This is likely due to the difficulties of formulating hydrophilic, high molecular weight drugs, such as proteins and nucleic acids, for targeting specific cells, month-long sustained delivery, and pulsatile release. Since the approaches that have served well for delivery of small molecules are not applicable to large molecules, it is time to develop new methods for biologicals. The process of developing future drug delivery systems, termed as the invention cycle, is proposed, and it starts with clearly defining the problems for developing certain formulations. Once the problems are well-defined, creative imagination examines all potential options and selects the best answer and alternatives. Then, innovation takes over to generate unique solutions for developing new formulations that resolve the previously identified problems. Ultimately, the new delivery systems will have to go through a translational process to produce the final formulations for clinical use. The invention cycle also emphasizes examining the reasons for success of certain formulations, not just the reasons for failure of many systems. Implementation of the new invention cycle requires new mechanisms of funding the younger generation of scientists and a new way of identifying their achievements, thereby releasing them from the burden of short-termism.

Exact solutions for the collaborative pickup and delivery problem.

PubMed

Gansterer, Margaretha; Hartl, Richard F; Salzmann, Philipp E H

2018-01-01

In this study we investigate the decision problem of a central authority in pickup and delivery carrier collaborations. Customer requests are to be redistributed among participants, such that the total cost is minimized. We formulate the problem as multi-depot traveling salesman problem with pickups and deliveries. We apply three well-established exact solution approaches and compare their performance in terms of computational time. To avoid unrealistic solutions with unevenly distributed workload, we extend the problem by introducing minimum workload constraints. Our computational results show that, while for the original problem Benders decomposition is the method of choice, for the newly formulated problem this method is clearly dominated by the proposed column generation approach. The obtained results can be used as benchmarks for decentralized mechanisms in collaborative pickup and delivery problems.

Computational unsteady aerodynamics for lifting surfaces

NASA Technical Reports Server (NTRS)

Edwards, John W.

1988-01-01

Two dimensional problems are solved using numerical techniques. Navier-Stokes equations are studied both in the vorticity-stream function formulation which appears to be the optimal choice for two dimensional problems, using a storage approach, and in the velocity pressure formulation which minimizes the number of unknowns in three dimensional problems. Analysis shows that compact centered conservative second order schemes for the vorticity equation are the most robust for high Reynolds number flows. Serious difficulties remain in the choice of turbulent models, to keep reasonable CPU efficiency.

Hyperbolic heat conduction problems involving non-Fourier effects - Numerical simulations via explicit Lax-Wendroff/Taylor-Galerkin finite element formulations

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; Namburu, Raju R.

1989-01-01

Numerical simulations are presented for hyperbolic heat-conduction problems that involve non-Fourier effects, using explicit, Lax-Wendroff/Taylor-Galerkin FEM formulations as the principal computational tool. Also employed are smoothing techniques which stabilize the numerical noise and accurately predict the propagating thermal disturbances. The accurate capture of propagating thermal disturbances at characteristic time-step values is achieved; numerical test cases are presented which validate the proposed hyperbolic heat-conduction problem concepts.

Thermoplasticity of coupled bodies in the case of stress-dependent heat transfer

NASA Technical Reports Server (NTRS)

Kilikovskaya, O. A.

1987-01-01

The problem of the thermal stresses in coupled deformable bodies is formulated for the case where the heat-transfer coefficient at the common boundary depends on the stress-strain state of the bodies (e.g., is a function of the normal pressure at the common boundary). Several one-dimensional problems are solved in this formulation. Among these problems is the determination of the thermal stresses in an n-layer plate and in a two-layer cylinder.

Application of hot-melt extrusion technology in immediate-release abuse-deterrent formulations.

PubMed

Wening, Klaus; Schwier, Sebastian; Stahlberg, Hans-J; Galia, Eric

Hot-melt extrusion (HME) technology has been used for manufacturing extended-release abuse-deterrent formulations (ADFs) of opioid-type analgesics with improved tamper-resistant properties. Our objective was to describe application of this technology to immediate-release (IR) ADFs. For development of a sample IR ADF (hydrocodone 10 mg/acetaminophen 325 mg) based on HME, feasibility studies were performed using different excipients. The formulation selected for further development was evaluated via in vitro test battery. Moreover, in vivo performance of IR ADF technologies was investigated in an open-label, randomized, cross-over, phase 1, relative oral bioavailability study with another opioid (model compound). Single-center bioavailability trial. Twenty-four healthy white male subjects. ADF IR formulation of an opioid and marketed IR formulation. For feasibility and in vitro studies, dissolution profiles, syringeability, particle size distribution after physical manipulation, and extractability were evaluated. For the phase 1 study, pharmacokinetic parameters were evaluated and compared for ADF IR and a marketed IR formulation. After manipulation, the majority of particles from the ADF IR formulation were >500µm and, thus, not considered suitable for intranasal abuse, while the majority of particles for the reference marketed IR formulation were <500µm. The ADF IR formulation was resistant to syringing and preparation for potential intravenous injection. In healthy subjects, pharmacokinetics of an ADF and marketed IR formulation of an opioid were nearly identical. Application of HME to IR formulations led to development of products with improved mechanical resistance to manipulation for intranasal or intravenous preparation, but similar bioavailability.

What is the Nondominated Formulation? A Demonstration of de Novo Water Supply Portfolio Planning Under Deep Uncertainty

NASA Astrophysics Data System (ADS)

Kasprzyk, J. R.; Reed, P. M.; Characklis, G. W.; Kirsch, B. R.

2010-12-01

This paper proposes and demonstrates a new interactive framework for sensitivity-informed de Novo programming, in which a learning approach to formulating decision problems can confront the deep uncertainty within water management problems. The framework couples global sensitivity analysis using Sobol’ variance decomposition with multiobjective evolutionary algorithms (MOEAs) to generate planning alternatives and test their robustness to new modeling assumptions and scenarios. We explore these issues within the context of a risk-based water supply management problem, where a city seeks the most efficient use of a water market. The case study examines a single city’s water supply in the Lower Rio Grande Valley (LRGV) in Texas, using both a 10-year planning horizon and an extreme single-year drought scenario. The city’s water supply portfolio comprises a volume of permanent rights to reservoir inflows and use of a water market through anticipatory thresholds for acquiring transfers of water through optioning and spot leases. Diagnostic information from the Sobol’ variance decomposition is used to create a sensitivity-informed problem formulation testing different decision variable configurations, with tradeoffs for the formulation solved using a MOEA. Subsequent analysis uses the drought scenario to expose tradeoffs between long-term and short-term planning and illustrate the impact of deeply uncertain assumptions on water availability in droughts. The results demonstrate water supply portfolios’ efficiency, reliability, and utilization of transfers in the water supply market and show how to adaptively improve the value and robustness of our problem formulations by evolving our definition of optimality to discover key tradeoffs.

Multichannel signal enhancement

DOEpatents

Lewis, Paul S.

1990-01-01

A mixed adaptive filter is formulated for the signal processing problem where desired a priori signal information is not available. The formulation generates a least squares problem which enables the filter output to be calculated directly from an input data matrix. In one embodiment, a folded processor array enables bidirectional data flow to solve the recursive problem by back substitution without global communications. In another embodiment, a balanced processor array solves the recursive problem by forward elimination through the array. In a particular application to magnetoencephalography, the mixed adaptive filter enables an evoked response to an auditory stimulus to be identified from only a single trial.

Analysis of the incomplete Galerkin method for modelling of smoothly-irregular transition between planar waveguides

NASA Astrophysics Data System (ADS)

Divakov, D.; Sevastianov, L.; Nikolaev, N.

2017-01-01

The paper deals with a numerical solution of the problem of waveguide propagation of polarized light in smoothly-irregular transition between closed regular waveguides using the incomplete Galerkin method. This method consists in replacement of variables in the problem of reduction of the Helmholtz equation to the system of differential equations by the Kantorovich method and in formulation of the boundary conditions for the resulting system. The formulation of the boundary problem for the ODE system is realized in computer algebra system Maple. The stated boundary problem is solved using Maples libraries of numerical methods.

Assessing Mission Impact of Cyberattacks: Report of the NATO IST-128 Workshop

DTIC Science & Technology

2015-12-01

simulation) perspective. This would be natural, considering that the cybersecurity problem is highly adversarial in nature. Because it involves intelligent ...be formulated as a partial information game; artificial intelligence techniques might help here. Yet another style of problem formulation that...computational information processing for weapons, intelligence , communication, and logistics systems continues to increase the vulnerability of

The Bean model in suprconductivity: Variational formulation and numerical solution

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

Prigozhin, L.

The Bean critical-state model describes the penetration of magnetic field into type-II superconductors. Mathematically, this is a free boundary problem and its solution is of interest in applied superconductivity. We derive a variational formulation for the Bean model and use it to solve two-dimensional and axially symmetric critical-state problems numerically. 25 refs., 9 figs., 1 tab.

Solving transient acoustic boundary value problems with equivalent sources using a lumped parameter approach.

PubMed

Fahnline, John B

2016-12-01

An equivalent source method is developed for solving transient acoustic boundary value problems. The method assumes the boundary surface is discretized in terms of triangular or quadrilateral elements and that the solution is represented using the acoustic fields of discrete sources placed at the element centers. Also, the boundary condition is assumed to be specified for the normal component of the surface velocity as a function of time, and the source amplitudes are determined to match the known elemental volume velocity vector at a series of discrete time steps. Equations are given for marching-on-in-time schemes to solve for the source amplitudes at each time step for simple, dipole, and tripole source formulations. Several example problems are solved to illustrate the results and to validate the formulations, including problems with closed boundary surfaces where long-time numerical instabilities typically occur. A simple relationship between the simple and dipole source amplitudes in the tripole source formulation is derived so that the source radiates primarily in the direction of the outward surface normal. The tripole source formulation is shown to eliminate interior acoustic resonances and long-time numerical instabilities.

Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Tung; Réthoré, Julien; Yvonnet, Julien; Baietto, Marie-Christine

2017-08-01

A new multi-phase-field method is developed for modeling the fracture of polycrystals at the microstructural level. Inter and transgranular cracking, as well as anisotropic effects of both elasticity and preferential cleavage directions within each randomly oriented crystal are taken into account. For this purpose, the proposed phase field formulation includes: (a) a smeared description of grain boundaries as cohesive zones avoiding defining an additional phase for grains; (b) an anisotropic phase field model; (c) a multi-phase field formulation where each preferential cleavage direction is associated with a damage (phase field) variable. The obtained framework allows modeling interactions and competition between grains and grain boundary cracks, as well as their effects on the effective response of the material. The proposed model is illustrated through several numerical examples involving a full description of complex crack initiation and propagation within 2D and 3D models of polycrystals.

Chromatographic test methods for characterizing alkylsiloxane-bonded silica columns for reversed-phase liquid chromatography.

PubMed

Poole, Colin F

2018-06-07

Major obstacles to formulating a simple retention mechanism for reversed-phase liquid chromatography have a direct impact on the development of experimental methods for column characterization as they limit our capability to understand observed differences in retention at a system level. These problems arise from the heterogeneous composition of the stationary phase, the difficulty of providing a working definition for the phase ratio, and uncertainty as to whether the distribution mechanism for varied compounds is a partition, adsorption or mixed (combination) of these models. Retention factor and separation factor measurements offer little guidance as they represent an average of various and variable contributing factors that can only be interpreted by assuming a specific model. Column characterization methods have tended to ignore these difficulties by inventing a series of terms to describe column properties, such as hydrophobicity, hydrophilicity, silanol activity, steric resistance, etc., without proper definition. This has allowed multiple scales to be proposed for the same property which generally are only weakly correlated. Against this background we review the major approaches for the characterization of alkylsiloxane-bonded silica stationary phases employing prototypical compounds, the hydrophobic-subtraction model and the solvation parameter model. Those methods using prototypical compounds are limited by the lack of compounds with a singular dominant interaction. The multivariate approaches that extract column characteristic properties from the retention of varied compounds are more hopeful but it is important to be more precise in defining the characteristic column properties and cognizant that general interpretation of these properties for varied columns cannot escape the problem of a poor understanding of the distribution mechanism. Copyright © 2018 Elsevier B.V. All rights reserved.

The formulation of dynamical contact problems with friction in the case of systems of rigid bodies and general discrete mechanical systems—Painlevé and Kane paradoxes revisited

NASA Astrophysics Data System (ADS)

Charles, Alexandre; Ballard, Patrick

2016-08-01

The dynamics of mechanical systems with a finite number of degrees of freedom (discrete mechanical systems) is governed by the Lagrange equation which is a second-order differential equation on a Riemannian manifold (the configuration manifold). The handling of perfect (frictionless) unilateral constraints in this framework (that of Lagrange's analytical dynamics) was undertaken by Schatzman and Moreau at the beginning of the 1980s. A mathematically sound and consistent evolution problem was obtained, paving the road for many subsequent theoretical investigations. In this general evolution problem, the only reaction force which is involved is a generalized reaction force, consistently with the virtual power philosophy of Lagrange. Surprisingly, such a general formulation was never derived in the case of frictional unilateral multibody dynamics. Instead, the paradigm of the Coulomb law applying to reaction forces in the real world is generally invoked. So far, this paradigm has only enabled to obtain a consistent evolution problem in only some very few specific examples and to suggest numerical algorithms to produce computational examples (numerical modeling). In particular, it is not clear what is the evolution problem underlying the computational examples. Moreover, some of the few specific cases in which this paradigm enables to write down a precise evolution problem are known to show paradoxes: the Painlevé paradox (indeterminacy) and the Kane paradox (increase in kinetic energy due to friction). In this paper, we follow Lagrange's philosophy and formulate the frictional unilateral multibody dynamics in terms of the generalized reaction force and not in terms of the real-world reaction force. A general evolution problem that governs the dynamics is obtained for the first time. We prove that all the solutions are dissipative; that is, this new formulation is free of Kane paradox. We also prove that some indeterminacy of the Painlevé paradox is fixed in this formulation.

Droplet evaporation and combustion in a liquid-gas multiphase system

NASA Astrophysics Data System (ADS)

Muradoglu, Metin; Irfan, Muhammad

2017-11-01

Droplet evaporation and combustion in a liquid-gas multiphase system are studied computationally using a front-tracking method. One field formulation is used to solve the flow, energy and species equations with suitable jump conditions. Both phases are assumed to be incompressible; however, the divergence-free velocity field condition is modified to account for the phase change at the interface. Both temperature and species gradient driven phase change processes are simulated. Extensive validation studies are performed using the benchmark cases: The Stefan and the sucking interface problems, d2 law and wet bulb temperature comparison with the psychrometric chart values. The phase change solver is then extended to incorporate the burning process following the evaporation as a first step towards the development of a computational framework for spray combustion. We used detailed chemistry, variable transport properties and ideal gas behaviour for a n-heptane droplet combustion; the chemical kinetics being handled by the CHEMKIN. An operator-splitting approach is used to advance temperature and species mass fraction in time. The numerical results of the droplet burning rate, flame temperature and flame standoff ratio show good agreement with the experimental and previous numeric.

On the role of self-adjointness in the continuum formulation of topological quantum phases

NASA Astrophysics Data System (ADS)

Tanhayi Ahari, Mostafa; Ortiz, Gerardo; Seradjeh, Babak

2016-11-01

Topological quantum phases of matter are characterized by an intimate relationship between the Hamiltonian dynamics away from the edges and the appearance of bound states localized at the edges of the system. Elucidating this correspondence in the continuum formulation of topological phases, even in the simplest case of a one-dimensional system, touches upon fundamental concepts and methods in quantum mechanics that are not commonly discussed in textbooks, in particular the self-adjoint extensions of a Hermitian operator. We show how such topological bound states can be derived in a prototypical one-dimensional system. Along the way, we provide a pedagogical exposition of the self-adjoint extension method as well as the role of symmetries in correctly formulating the continuum, field-theory description of topological matter with boundaries. Moreover, we show that self-adjoint extensions can be characterized generally in terms of a conserved local current associated with the self-adjoint operator.

A level set method for multiple sclerosis lesion segmentation.

PubMed

Zhao, Yue; Guo, Shuxu; Luo, Min; Shi, Xue; Bilello, Michel; Zhang, Shaoxiang; Li, Chunming

2018-06-01

In this paper, we present a level set method for multiple sclerosis (MS) lesion segmentation from FLAIR images in the presence of intensity inhomogeneities. We use a three-phase level set formulation of segmentation and bias field estimation to segment MS lesions and normal tissue region (including GM and WM) and CSF and the background from FLAIR images. To save computational load, we derive a two-phase formulation from the original multi-phase level set formulation to segment the MS lesions and normal tissue regions. The derived method inherits the desirable ability to precisely locate object boundaries of the original level set method, which simultaneously performs segmentation and estimation of the bias field to deal with intensity inhomogeneity. Experimental results demonstrate the advantages of our method over other state-of-the-art methods in terms of segmentation accuracy. Copyright © 2017 Elsevier Inc. All rights reserved.

Influence of some formulation variables on the optimization of pH-dependent, colon-targeted, sustained-release mesalamine microspheres.

PubMed

El-Bary, Ahmed Abd; Aboelwafa, Ahmed A; Al Sharabi, Ibrahim M

2012-03-01

The aim of this work was to understand the influence of different formulation variables on the optimization of pH-dependent, colon-targeted, sustained-release mesalamine microspheres prepared by O/O emulsion solvent evaporation method, employing pH-dependent Eudragit S and hydrophobic pH-independent ethylcellulose polymers. Formulation variables studied included concentration of Eudragit S in the internal phase and the ratios between; internal to external phase, drug to Eudragit S and Eudragit S to ethylcellulose to mesalamine. Prepared microspheres were evaluated by carrying out in vitro release studies and determination of particle size, production yield, and encapsulation efficiency. In addition, morphology of microspheres was examined using optical and scanning electron microscopy. Emulsion solvent evaporation method was found to be sensitive to the studied formulation variables. Particle size and encapsulation efficiency increased by increasing Eudragit S concentration in the internal phase, ratio of internal to external phase, and ratio of Eudragit S to the drug. Employing Eudragit S alone in preparation of the microspheres is only successful in forming acid-resistant microspheres with pulsatile release pattern at high pH. Eudragit S and ethylcellulose blend microspheres were able to control release under acidic condition and to extend drug release at high pH. The stability studies carried out at 40°C/75% RH for 6 months proved the stability of the optimized formulation. From the results of this investigation, microencapsulation of mesalamine in microspheres using blend of Eudragit S and ethylcellulose could constitute a promising approach for site-specific and controlled delivery of drug in colon.

Probabilistic Structures Analysis Methods (PSAM) for select space propulsion system components

NASA Technical Reports Server (NTRS)

1991-01-01

The basic formulation for probabilistic finite element analysis is described and demonstrated on a few sample problems. This formulation is based on iterative perturbation that uses the factorized stiffness on the unperturbed system as the iteration preconditioner for obtaining the solution to the perturbed problem. This approach eliminates the need to compute, store and manipulate explicit partial derivatives of the element matrices and force vector, which not only reduces memory usage considerably, but also greatly simplifies the coding and validation tasks. All aspects for the proposed formulation were combined in a demonstration problem using a simplified model of a curved turbine blade discretized with 48 shell elements, and having random pressure and temperature fields with partial correlation, random uniform thickness, and random stiffness at the root.

Between universalism and relativism: a conceptual exploration of problems in formulating and applying international biomedical ethical guidelines

PubMed Central

Tangwa, G

2004-01-01

In this paper, the author attempts to explore some of the problems connected with the formulation and application of international biomedical ethical guidelines, with particular reference to Africa. Recent attempts at revising and updating some international medical ethical guidelines have been bedevilled by intractable controversies and wrangling regarding both the content and formulation. From the vantage position of relative familiarity with both African and Western contexts, and the privilege of having been involved in the revision and updating of one of the international ethical guidelines, the author reflects broadly on these issues and attempts prescribing an approach from both the theoretical and practical angles liable to mitigate, if not completely eliminate, some of the problems and difficulties. PMID:14872078

Mind over matter? I: philosophical aspects of the mind-brain problem.

PubMed

Schimmel, P

2001-08-01

To conceptualize the essence of the mind-body or mind-brain problem as one of metaphysics rather than science, and to propose a formulation of the problem in the context of current scientific knowledge and its limitations. The background and conceptual parameters of the mind-body problem are delineated, and the limitations of brain research in formulating a solution identified. The problem is reformulated and stated in terms of two propositions. These constitute a 'double aspect theory'. The problem appears to arise as a consequence of the conceptual limitations of the human mind, and hence remains essentially a metaphysical one. A 'double aspect theory' recognizes the essential unity of mind and brain, while remaining consistent with the dualism inherent in human experience.

Bi-Objective Modelling for Hazardous Materials Road–Rail Multimodal Routing Problem with Railway Schedule-Based Space–Time Constraints

PubMed Central

Sun, Yan; Lang, Maoxiang; Wang, Danzhu

2016-01-01

The transportation of hazardous materials is always accompanied by considerable risk that will impact public and environment security. As an efficient and reliable transportation organization, a multimodal service should participate in the transportation of hazardous materials. In this study, we focus on transporting hazardous materials through the multimodal service network and explore the hazardous materials multimodal routing problem from the operational level of network planning. To formulate this problem more practicably, minimizing the total generalized costs of transporting the hazardous materials and the social risk along the planned routes are set as the optimization objectives. Meanwhile, the following formulation characteristics will be comprehensively modelled: (1) specific customer demands; (2) multiple hazardous material flows; (3) capacitated schedule-based rail service and uncapacitated time-flexible road service; and (4) environmental risk constraint. A bi-objective mixed integer nonlinear programming model is first built to formulate the routing problem that combines the formulation characteristics above. Then linear reformations are developed to linearize and improve the initial model so that it can be effectively solved by exact solution algorithms on standard mathematical programming software. By utilizing the normalized weighted sum method, we can generate the Pareto solutions to the bi-objective optimization problem for a specific case. Finally, a large-scale empirical case study from the Beijing–Tianjin–Hebei Region in China is presented to demonstrate the feasibility of the proposed methods in dealing with the practical problem. Various scenarios are also discussed in the case study. PMID:27483294

An Improved Compressive Sensing and Received Signal Strength-Based Target Localization Algorithm with Unknown Target Population for Wireless Local Area Networks.

PubMed

Yan, Jun; Yu, Kegen; Chen, Ruizhi; Chen, Liang

2017-05-30

In this paper a two-phase compressive sensing (CS) and received signal strength (RSS)-based target localization approach is proposed to improve position accuracy by dealing with the unknown target population and the effect of grid dimensions on position error. In the coarse localization phase, by formulating target localization as a sparse signal recovery problem, grids with recovery vector components greater than a threshold are chosen as the candidate target grids. In the fine localization phase, by partitioning each candidate grid, the target position in a grid is iteratively refined by using the minimum residual error rule and the least-squares technique. When all the candidate target grids are iteratively partitioned and the measurement matrix is updated, the recovery vector is re-estimated. Threshold-based detection is employed again to determine the target grids and hence the target population. As a consequence, both the target population and the position estimation accuracy can be significantly improved. Simulation results demonstrate that the proposed approach achieves the best accuracy among all the algorithms compared.

A multiple-drawer medication layout problem in automated dispensing cabinets.

PubMed

Pazour, Jennifer A; Meller, Russell D

2012-12-01

In this paper we investigate the problem of locating medications in automated dispensing cabinets (ADCs) to minimize human selection errors. We formulate the multiple-drawer medication layout problem and show that the problem can be formulated as a quadratic assignment problem. As a way to evaluate various medication layouts, we develop a similarity rating for medication pairs. To solve industry-sized problem instances, we develop a heuristic approach. We use hospital ADC transaction data to conduct a computational experiment to test the performance of our developed heuristics, to demonstrate how our approach can aid in ADC design trade-offs, and to illustrate the potential improvements that can be made when applying an analytical process to the multiple-drawer medication layout problem. Finally, we present conclusions and future research directions.

[Strategy and collaboration between medicinal chemists and pharmaceutical scientists for drug delivery systems].

PubMed

Mano, Takashi

2013-01-01

In order to successfully apply drug delivery systems (DDS) to new chemical entities (NCEs), collaboration between medicinal chemists and formulation scientists is critical for efficient drug discovery. Formulation scientists have to use 'language' that medicinal chemists understand to help promote mutual understanding, and medicinal chemists and formulation scientists have to set up strategies to use suitable DDS technologies at the discovery phase of the programmes to ensure successful transfer into the development phase. In this review, strategies of solubilisation formulation for oral delivery, inhalation delivery, nasal delivery and bioconjugation are all discussed. For example, for oral drug delivery, multiple initiatives can be proposed to improve the process to select an optimal delivery option for an NCE. From a technical perspective, formulation scientists have to explain the scope and limitations of formulations as some DDS technologies might be applicable only to limited chemical spaces. Other limitations could be the administered dose and, cost, time and resources for formulation development and manufacturing. Since DDS selection is best placed as part of lead-optimisation, formulation scientists need to be involved in discovery projects at lead selection and optimisation stages. The key to success in their collaboration is to facilitate communication between these two areas of expertise at both a strategic and scientific level. Also, it would be beneficial for medicinal chemists and formulation scientists to set common goals to improve the process of collaboration and build long term partnerships to improve DDS.

Understanding effect of formulation and manufacturing variables on the critical quality attributes of warfarin sodium product.

PubMed

Rahman, Ziyaur; Korang-Yeboah, Maxwell; Siddiqui, Akhtar; Mohammad, Adil; Khan, Mansoor A

2015-11-10

Warfarin sodium (WS) is a narrow therapeutic index drug and its product quality should be thoroughly understood and monitored in order to avoid clinical performance issues. This study was focused on understanding the effect of manufacturing and formulation variables on WS product critical quality attributes (CQAs). Eight formulations were developed with lactose monohydrate (LM) or lactose anhydrous (LA), and were either wet granulated or directly compressed. Formulations were granulated either with ethanol, isopropyl alcohol (IPA) and IPA-water mixture (50:50). Formulations were characterized for IPA, water content, hardness, disintegration time (DT), assay, dissolution and drug physical forms (scanning electron microscopy (SEM), near infrared chemical imaging (NIR-CI), X-ray powder diffraction (XRPD) and solid state nuclear magnetic resonance (ssNMR)), and performed accelerated stability studies at 40°C/75% RH for three days. The DT and dissolution of directly compressed formulations were faster than wet granulated formulations. This was due to phase transformation of crystalline drug into its amorphous form as indicated by SEM, NIR-CI, XRPD and ssNMR data which itself act as a binder. Similarly, LM showed faster disintegration and dissolution than LA containing formulations. Stability results indicated an increase in hardness and DT, and a decrease in dissolution rate and extent. This was due to phase transformation of the drug and consolidation with particles' bonding. In conclusion, the CQAs of WS product were significantly affected by manufacturing and formulation variables. Published by Elsevier B.V.

Linear quadratic tracking problems in Hilbert space - Application to optimal active noise suppression

NASA Technical Reports Server (NTRS)

Banks, H. T.; Silcox, R. J.; Keeling, S. L.; Wang, C.

1989-01-01

A unified treatment of the linear quadratic tracking (LQT) problem, in which a control system's dynamics are modeled by a linear evolution equation with a nonhomogeneous component that is linearly dependent on the control function u, is presented; the treatment proceeds from the theoretical formulation to a numerical approximation framework. Attention is given to two categories of LQT problems in an infinite time interval: the finite energy and the finite average energy. The behavior of the optimal solution for finite time-interval problems as the length of the interval tends to infinity is discussed. Also presented are the formulations and properties of LQT problems in a finite time interval.

An Experimental and Modeling Study of Evaporation from Bare Soils Subjected to Natural Boundary Conditions at the Land-Atmospheric Interface

NASA Astrophysics Data System (ADS)

Smits, K. M.; Ngo, V. V.; Cihan, A.; Sakaki, T.; Illangasekare, T. H.; kathleen m smits

2011-12-01

Bare soil evaporation is a key process for water exchange between the land and the atmosphere and an important component of the water balance in semiarid and arid regions. However, there is no agreement on the best methodology to determine evaporation under different boundary conditions. Because it is difficult to measure evaporation from soil,with the exception of using lysimeters, numerous formulations have been proposed to establish a relationship between the rate of evaporation and soil moisture and/or soil temperature and thermal properties. Different formulations vary in how they partition available energy and include, among others, a classical bulk aerodynamic formulation which requires knowledge of the relative humidity at the soil surface and a more non-traditional heat balance method which requires knowledge of soil temperature and soil thermal properties. A need exists to systematically compare existing methods to experimental data under highly controlled conditions not achievable in the field. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmospheric interface to test different conceptual and mathematical formulations for evaporation rate estimates and to develop appropriate numerical models to be used in simulations. In this study, to better understand the coupled water-vapor-heat flow processes in the shallow subsurface near the land surface, we modified a previously developed theory that allows non-equilibrium liquid/gas phase change with gas phase vapor diffusion to better account for evaporation under dry soil conditions. This theory was used to compare estimates of evaporation based on different formulations of the bulk aerodynamic and heat balance methods. In order to experimentally validate the numerical formulations/code, we performed a series of two-dimensional physical model experiments under varying boundary conditions using test sand for which the hydraulic and thermal properties were well characterized. We developed a unique two dimensional cell apparatus equipped with a network of sensors for automated and continuous monitoring of soil moisture, soil and air temperature and relative humidity, and wind velocity. Precision data under well-controlled transient heat and wind boundary conditions was generated. Results from numerical simulations were compared with experimental data. Results demonstrate the importance of properly characterizing soil thermal properties and accounting for dry soil conditions to properly estimate evaporation. Initial comparisons of various formulations of evaporation demonstrate the need for joint evaluation of heat and mass transfer for better modeling accuracy. Detailed comparisons are still underway. This knowledge is applicable to many current hydrologic and environmental problems to include climate modeling and the simulation of contaminant transport and volatilization in the shallow subsurface.

Determination of tocopheryl acetate and ascorbyl tetraisopalmitate in cosmetic formulations by HPLC.

PubMed

Almeida, M M; Alves, J M P; Patto, D C S; Lima, C R R C; Quenca-Guillen, J S; Santoro, M I R M; Kedor-Hackmann, E R M

2009-12-01

A rapid HPLC method was developed for the assay of tocopheryl acetate and ascorbyl tetraisopalmitate in cosmetic formulations. The validated method was applied for quantitative determination of these vitamins in simulated emulsion formulation. Samples were analysed directly on a RP-18 reverse phase column with UV detection at 222 nm. A mixture of methanol and isopropanol (25 : 75 v/v) was used as mobile phase. The retention time of tocopheryl acetate and ascorbyl tetraisopalmitate were 3.0 min and 5.9 min, respectively. Recovery was between 95% and 104%. In addition, the excipients did not interfere in the analysis. The method is simple, reproducible, selective and is suitable for routine analyses of commercial products.

Origin of the sensitivity in modeling the glide behaviour of dislocations

DOE PAGES

Pei, Zongrui; Stocks, George Malcolm

2018-03-26

The sensitivity in predicting glide behaviour of dislocations has been a long-standing problem in the framework of the Peierls-Nabarro model. The predictions of both the model itself and the analytic formulas based on it are too sensitive to the input parameters. In order to reveal the origin of this important problem in materials science, a new empirical-parameter-free formulation is proposed in the same framework. Unlike previous formulations, it includes only a limited small set of parameters all of which can be determined by convergence tests. Under special conditions the new formulation is reduced to its classic counterpart. In the lightmore » of this formulation, new relationships between Peierls stresses and the input parameters are identified, where the sensitivity is greatly reduced or even removed.« less

Analytical slave-spin mean-field approach to orbital selective Mott insulators

NASA Astrophysics Data System (ADS)

Komijani, Yashar; Kotliar, Gabriel

2017-09-01

We use the slave-spin mean-field approach to study particle-hole symmetric one- and two-band Hubbard models in the presence of Hund's coupling interaction. By analytical analysis of the Hamiltonian, we show that the locking of the two orbitals vs orbital selective Mott transition can be formulated within a Landau-Ginzburg framework. By applying the slave-spin mean field to impurity problems, we are able to make a correspondence between impurity and lattice. We also consider the stability of the orbital selective Mott phase to the hybridization between the orbitals and study the limitations of the slave-spin method for treating interorbital tunnelings in the case of multiorbital Bethe lattices with particle-hole symmetry.

Probability and Quantum Paradigms: the Interplay

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

Kracklauer, A. F.

Since the introduction of Born's interpretation of quantum wave functions as yielding the probability density of presence, Quantum Theory and Probability have lived in a troubled symbiosis. Problems arise with this interpretation because quantum probabilities exhibit features alien to usual probabilities, namely non Boolean structure and non positive-definite phase space probability densities. This has inspired research into both elaborate formulations of Probability Theory and alternate interpretations for wave functions. Herein the latter tactic is taken and a suggested variant interpretation of wave functions based on photo detection physics proposed, and some empirical consequences are considered. Although incomplete in a fewmore » details, this variant is appealing in its reliance on well tested concepts and technology.« less

Probability and Quantum Paradigms: the Interplay

NASA Astrophysics Data System (ADS)

Kracklauer, A. F.

2007-12-01

Since the introduction of Born's interpretation of quantum wave functions as yielding the probability density of presence, Quantum Theory and Probability have lived in a troubled symbiosis. Problems arise with this interpretation because quantum probabilities exhibit features alien to usual probabilities, namely non Boolean structure and non positive-definite phase space probability densities. This has inspired research into both elaborate formulations of Probability Theory and alternate interpretations for wave functions. Herein the latter tactic is taken and a suggested variant interpretation of wave functions based on photo detection physics proposed, and some empirical consequences are considered. Although incomplete in a few details, this variant is appealing in its reliance on well tested concepts and technology.

Finite-element solutions for geothermal systems

NASA Technical Reports Server (NTRS)

Chen, J. C.; Conel, J. E.

1977-01-01

Vector potential and scalar potential are used to formulate the governing equations for a single-component and single-phase geothermal system. By assuming an initial temperature field, the fluid velocity can be determined which, in turn, is used to calculate the convective heat transfer. The energy equation is then solved by considering convected heat as a distributed source. Using the resulting temperature to compute new source terms, the final results are obtained by iterations of the procedure. Finite-element methods are proposed for modeling of realistic geothermal systems; the advantages of such methods are discussed. The developed methodology is then applied to a sample problem. Favorable agreement is obtained by comparisons with a previous study.

Onward through the Fog: Uncertainty and Management Adaptation in Systems Analysis and Design

DTIC Science & Technology

1990-07-01

has fallen into stereotyped problem formulations and analytical ap- proaches. In particular, treatments of uncertainty are typically quite incomplete...and often conceptually wrong. This report argues that these shortcomings produce pervasive systematic biases in analyses. Problem formulations ...capability were lost. The expected number of aircraft that would not be fully mission capable thirty days later was roughly twice the num - ber

How to formulate and solve "optimal stand density over time" problems for even-aged stands using dynamic programming.

Treesearch

Chung M. Chen; Dietmar W. Rose; Rolfe A. Leary

1980-01-01

Describes how dynamic programming can be used to solve optimal stand density problems when yields are given by prior simulation or by a new stand growth equation that is a function of the decision variable. Formulations of the latter type allow use of a calculus-based search procedure; they determine exact optimal residual density at each stage.

Hierarchical and non-hierarchical {lambda} elements for one dimensional problems with unknown strength of singularity

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

Wong, K.K.; Surana, K.S.

1996-10-01

This paper presents a new and general procedure for designing hierarchical and non-hierarchical special elements called {lambda} elements for one dimensional singular problems where the strength of the singularity is unknown. The {lambda} element formulations presented here permit correct numerical simulation of linear as well as non-linear singular problems without a priori knowledge of the strength of the singularity. A procedure is also presented for determining the exact strength of the singularity using the converged solution. It is shown that in special instances, the general formulation of {lambda} elements can also be made hierarchical. The {lambda} elements presented here aremore » of type C{sup 0} and provide C{sup 0} inter-element continuity with p-version elements. One dimensional steady state radial flow of an upper convected Maxwell fluid is considered as a sample problem. Since in this case {lambda}{sub i} are known, this problem provides a good example for investigating the performance of the formulation proposed here. Least squares approach (or Least Squares Finite Element Formulation: LSFEF) is used to construct the integral form (error functional I) from the differential equations. Numerical studies are presented for radially inward flow of an upper convected Maxwell fluid with inner radius r{sub i} = .1 and .01 etc. and Deborah number De = 2.« less

Enhancement of oral bioavailability of atorvastatin calcium by self-emulsifying drug delivery systems (SEDDS).

PubMed

Kadu, Pawan J; Kushare, Sachin S; Thacker, Dhaval D; Gattani, Surendra G

2011-02-01

The aim of the present study was to formulate a self-emulsifying drug delivery system of atorvastatin calcium and its characterization including in vitro and in vivo potential. The solubility of atorvastatin calcium was determined in various vehicles such as Captex 355, Captex 355 EP/NF, Ethyl oleate, Capmul MCM, Capmul PG-8, Gelucire 44/14, Tween 80, Tween 20, and PEG 400. Pseudoternary phase diagrams were plotted on the basis of solubility data of drug in various components to evaluate the microemulsification region. Formulation development and screening was carried out based on results obtained from phase diagrams and characteristics of resultant microemulsion. Prepared formulations were tested for microemulsifying properties and evaluated for clarity, precipitation, viscosity determination, drug content and in vitro dissolution. The optimized formulation further evaluated for particle size distribution, zeta potential, stability studies and in vivo potential. In vivo performance of the optimized formulation was evaluated using a Triton-induced hypercholesterolemia model in male Albino Wistar rats. The formulation significantly reduced serum lipid levels as compared with atorvastatin calcium. Thus studies illustrated the potential use for the delivery of hydrophobic drug such as atorvastatin calcium by oral route.

A Mixed Integer Linear Program for Solving a Multiple Route Taxi Scheduling Problem

NASA Technical Reports Server (NTRS)

Montoya, Justin Vincent; Wood, Zachary Paul; Rathinam, Sivakumar; Malik, Waqar Ahmad

2010-01-01

Aircraft movements on taxiways at busy airports often create bottlenecks. This paper introduces a mixed integer linear program to solve a Multiple Route Aircraft Taxi Scheduling Problem. The outputs of the model are in the form of optimal taxi schedules, which include routing decisions for taxiing aircraft. The model extends an existing single route formulation to include routing decisions. An efficient comparison framework compares the multi-route formulation and the single route formulation. The multi-route model is exercised for east side airport surface traffic at Dallas/Fort Worth International Airport to determine if any arrival taxi time savings can be achieved by allowing arrivals to have two taxi routes: a route that crosses an active departure runway and a perimeter route that avoids the crossing. Results indicate that the multi-route formulation yields reduced arrival taxi times over the single route formulation only when a perimeter taxiway is used. In conditions where the departure aircraft are given an optimal and fixed takeoff sequence, accumulative arrival taxi time savings in the multi-route formulation can be as high as 3.6 hours more than the single route formulation. If the departure sequence is not optimal, the multi-route formulation results in less taxi time savings made over the single route formulation, but the average arrival taxi time is significantly decreased.

Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions

USGS Publications Warehouse

Rubin, Jacob

1983-01-01

Examples involving six broad reaction classes show that the nature of transport-affecting chemistry may have a profound effect on the mathematical character of solute transport problem formulation. Substantive mathematical diversity among such formulations is brought about principally by reaction properties that determine whether (1) the reaction can be regarded as being controlled by local chemical equilibria or whether it must be considered as being controlled by kinetics, (2) the reaction is homogeneous or heterogeneous, (3) the reaction is a surface reaction (adsorption, ion exchange) or one of the reactions of classical chemistry (e.g., precipitation, dissolution, oxidation, reduction, complex formation). These properties, as well as the choice of means to describe them, stipulate, for instance, (1) the type of chemical entities for which a formulation's basic, mass-balance equations should be written; (2) the nature of mathematical transformations needed to change the problem's basic equations into operational ones. These and other influences determine such mathematical features of problem formulations as the nature of the operational transport-equation system (e.g., whether it involves algebraic, partial-differential, or integro-partial-differential simultaneous equations), the type of nonlinearities of such a system, and the character of the boundaries (e.g., whether they are stationary or moving). Exploration of the reasons for the dependence of transport mathematics on transport chemistry suggests that many results of this dependence stem from the basic properties of the reactions' chemical-relation (i.e., equilibrium or rate) equations.

The Role of Integrated Modelling and Assessment for Decision-Making: Lessons from Water Allocation Issues in Australia

NASA Astrophysics Data System (ADS)

Jakeman, A. J.; Guillaume, J. H. A.; El Sawah, S.; Hamilton, S.

2014-12-01

Integrated modelling and assessment (IMA) is best regarded as a process that can support environmental decision-making when issues are strongly contested and uncertainties pervasive. To be most useful, the process must be multi-dimensional and phased. Principally, it must be tailored to the problem context to encompass diverse issues of concern, management settings and stakeholders. This in turn requires the integration of multiple processes and components of natural and human systems and their corresponding spatial and temporal scales. Modellers therefore need to be able to integrate multiple disciplines, methods, models, tools and data, and many sources and types of uncertainty. These dimensions are incorporated into iteration between the various phases of the IMA process, including scoping, problem framing and formulation, assessing options and communicating findings. Two case studies in Australia are employed to share the lessons of how integration can be achieved in these IMA phases using a mix of stakeholder participation processes and modelling tools. One case study aims to improve the relevance of modelling by incorporating stakeholder's views of irrigated viticulture and water management decision making. It used a novel methodology with the acronym ICTAM, consisting of Interviews to elicit mental models, Cognitive maps to represent and analyse individual and group mental models, Time-sequence diagrams to chronologically structure the decision making process, an All-encompassing conceptual model, and computational Models of stakeholder decision making. The second case uses a hydro-economic river network model to examine basin-wide impacts of water allocation cuts and adoption of farm innovations. The knowledge exchange approach used in each case was designed to integrate data and knowledge bearing in mind the contextual dimensions of the problem at hand, and the specific contributions that environmental modelling was thought to be able to make.

Clinical evaluation of seven anticalculus dentifrice formulations.

PubMed

Scruggs, R R; Stewart, P W; Samuels, M S; Stamm, J W

1991-01-01

One hundred ninety-two subjects completed a clinical trial to determine the effects of seven dentifrice formulations on calculus inhibition. The double-blind study involved a ten-day control phase and a ten-day experimental phase. For the control phase, subjects were evaluated for calculus present, received a prophylaxis and had pre-weighed mylar strips attached to the lingual surfaces of the mandibular incisors to harvest mineral deposits. Subjects were then assigned the placebo dentifrice for unsupervised twice-daily use and were required to report once a day for a supervised mouthrinse using a 1:3 dilution of the dentrifice. The experimental phase was identical except that subjects were allocated the experimental dentifices using a stratified random assignment based on age, gender and the initial presence of calculus. Simple linear regression analyses of the dry and ash log weights obtained from the strips were performed. The results showed no statistically significant differences among the test products; however, two formulations containing zinc citrate showed some calculus inhibition-potential suggesting that further research and development of such products may be warranted.

Evaluation of Influence of Various Polymers on Dissolution and Phase Behavior of Carbamazepine-Succinic Acid Cocrystal in Matrix Tablets.

PubMed

Ullah, Majeed; Ullah, Hanif; Murtaza, Ghulam; Mahmood, Qaisar; Hussain, Izhar

2015-01-01

The aim of current study was to explore the influence of three commonly used polymers, that is, cellulosics and noncellulosics, for example, Methocel K4M, Kollidon VA/64, and Soluplus, on the phase disproportionation and drug release profile of carbamazepine-succinic acid (CBZ-SUC) cocrystal at varying drug to polymer ratios (1 : 1 to 1 : 0.25) in matrix tablets. The polymorphic phase disproportionation during in-depth dissolution studies of CBZ-SUC cocrystals and its crystalline properties were scrutinized by X-ray powder diffractrometry and Raman spectroscopy. The percent drug release from HPMC formulations (CSH) showed inverse relation with the concentration of polymer; that is, drug release increased with decrease in polymer concentration. On contrary, direct relation was observed between percent drug release and polymer concentrations of Kollidon VA 64/Soluplus (CSK, CSS). At similar polymer concentration, drug release from pure carbamazepine was slightly lower with HPMC formulations than that of cocrystal; however, opposite trend in release rate was observed with Kollidon VA/64 and Soluplus. The significant increase in dissolution rate of cocrystal occurred with Kollidon VA/64 and Soluplus at higher polymer concentration. Moreover, no phase change took place in Methocel and Kollidon formulations. No tablet residue was left for Soluplus formulation so the impact of polymer on cocrystal integrity cannot be predicted.

Evaluation of Influence of Various Polymers on Dissolution and Phase Behavior of Carbamazepine-Succinic Acid Cocrystal in Matrix Tablets

PubMed Central

Ullah, Majeed; Ullah, Hanif; Mahmood, Qaisar; Hussain, Izhar

2015-01-01

The aim of current study was to explore the influence of three commonly used polymers, that is, cellulosics and noncellulosics, for example, Methocel K4M, Kollidon VA/64, and Soluplus, on the phase disproportionation and drug release profile of carbamazepine-succinic acid (CBZ-SUC) cocrystal at varying drug to polymer ratios (1 : 1 to 1 : 0.25) in matrix tablets. The polymorphic phase disproportionation during in-depth dissolution studies of CBZ-SUC cocrystals and its crystalline properties were scrutinized by X-ray powder diffractrometry and Raman spectroscopy. The percent drug release from HPMC formulations (CSH) showed inverse relation with the concentration of polymer; that is, drug release increased with decrease in polymer concentration. On contrary, direct relation was observed between percent drug release and polymer concentrations of Kollidon VA 64/Soluplus (CSK, CSS). At similar polymer concentration, drug release from pure carbamazepine was slightly lower with HPMC formulations than that of cocrystal; however, opposite trend in release rate was observed with Kollidon VA/64 and Soluplus. The significant increase in dissolution rate of cocrystal occurred with Kollidon VA/64 and Soluplus at higher polymer concentration. Moreover, no phase change took place in Methocel and Kollidon formulations. No tablet residue was left for Soluplus formulation so the impact of polymer on cocrystal integrity cannot be predicted. PMID:26380301

Case Formulation in Psychotherapy: Revitalizing Its Usefulness as a Clinical Tool

ERIC Educational Resources Information Center

Sim, Kang; Gwee, Kok Peng; Bateman, Anthony

2005-01-01

Objective: Case formulation has been recognized to be a useful conceptual and clinical tool in psychotherapy as diagnosis itself does not focus on the underlying causes of a patient's problems. Case formulation can fill the gap between diagnosis and treatment, with the potential to provide insights into the integrative, explanatory, prescriptive,…

Evolution of magnetic field and atmospheric response. I - Three-dimensional formulation by the method of projected characteristics. II - Formulation of proper boundary equations. [stellar magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Nakagawa, Y.

1981-01-01

The method described as the method of nearcharacteristics by Nakagawa (1980) is renamed the method of projected characteristics. Making full use of properties of the projected characteristics, a new and simpler formulation is developed. As a result, the formulation for the examination of the general three-dimensional problems is presented. It is noted that since in practice numerical solutions must be obtained, the final formulation is given in the form of difference equations. The possibility of including effects of viscous and ohmic dissipations in the formulation is considered, and the physical interpretation is discussed. A systematic manner is then presented for deriving physically self-consistent, time-dependent boundary equations for MHD initial boundary problems. It is demonstrated that the full use of the compatibility equations (differential equations relating variations at two spatial locations and times) is required in determining the time-dependent boundary conditions. In order to provide a clear physical picture as an example, the evolution of axisymmetric global magnetic field by photospheric differential rotation is considered.

A Low Mach Number Model for Moist Atmospheric Flows

DOE PAGES

Duarte, Max; Almgren, Ann S.; Bell, John B.

2015-04-01

A low Mach number model for moist atmospheric flows is introduced that accurately incorporates reversible moist processes in flows whose features of interest occur on advective rather than acoustic time scales. Total water is used as a prognostic variable, so that water vapor and liquid water are diagnostically recovered as needed from an exact Clausius–Clapeyron formula for moist thermodynamics. Low Mach number models can be computationally more efficient than a fully compressible model, but the low Mach number formulation introduces additional mathematical and computational complexity because of the divergence constraint imposed on the velocity field. Here in this paper, latentmore » heat release is accounted for in the source term of the constraint by estimating the rate of phase change based on the time variation of saturated water vapor subject to the thermodynamic equilibrium constraint. Finally, the authors numerically assess the validity of the low Mach number approximation for moist atmospheric flows by contrasting the low Mach number solution to reference solutions computed with a fully compressible formulation for a variety of test problems.« less

Estimating permeability from quasi-static deformation: Temporal variations and arrival time inversion

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

Vasco, D.W.; Ferretti, Alessandro; Novali, Fabrizio

2008-05-01

Transient pressure variations within a reservoir can be treated as a propagating front and analyzed using an asymptotic formulation. From this perspective one can define a pressure 'arrival time' and formulate solutions along trajectories, in the manner of ray theory. We combine this methodology and a technique for mapping overburden deformation into reservoir volume change as a means to estimate reservoir flow properties, such as permeability. Given the entire 'travel time' or phase field, obtained from the deformation data, we can construct the trajectories directly, there-by linearizing the inverse problem. A numerical study indicates that, using this approach, we canmore » infer large-scale variations in flow properties. In an application to Interferometric Synthetic Aperture (InSAR) observations associated with a CO{sub 2} injection at the Krechba field, Algeria, we image pressure propagation to the northwest. An inversion for flow properties indicates a linear trend of high permeability. The high permeability correlates with a northwest trending fault on the flank of the anticline which defines the field.« less

A Low Mach Number Model for Moist Atmospheric Flows

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

Duarte, Max; Almgren, Ann S.; Bell, John B.

A low Mach number model for moist atmospheric flows is introduced that accurately incorporates reversible moist processes in flows whose features of interest occur on advective rather than acoustic time scales. Total water is used as a prognostic variable, so that water vapor and liquid water are diagnostically recovered as needed from an exact Clausius–Clapeyron formula for moist thermodynamics. Low Mach number models can be computationally more efficient than a fully compressible model, but the low Mach number formulation introduces additional mathematical and computational complexity because of the divergence constraint imposed on the velocity field. Here in this paper, latentmore » heat release is accounted for in the source term of the constraint by estimating the rate of phase change based on the time variation of saturated water vapor subject to the thermodynamic equilibrium constraint. Finally, the authors numerically assess the validity of the low Mach number approximation for moist atmospheric flows by contrasting the low Mach number solution to reference solutions computed with a fully compressible formulation for a variety of test problems.« less

Inhaled antibiotics for lower respiratory tract infections: focus on ciprofloxacin.

PubMed

Serisier, D J

2012-05-01

The administration of antibiotics by the inhaled route offers an appealing and logical approach to treating infectious respiratory conditions. Studies in the cystic fibrosis (CF) population have established the efficacy of this therapeutic concept and inhaled antibiotic therapy is now one of the pillars of management in CF. There are now a number of new inhaled antibiotic formulations that have shown impressive preliminary evidence for efficacy in CF and are commencing phase III efficacy studies. Translation of this paradigm into the non-CF bronchiectasis population has proven difficult thus far, apparently due to problems with tolerability of inhaled formulations. Inhaled versions of ciprofloxacin have shown good tolerability and microbiological efficacy in preliminary studies, suggesting that effective inhaled antibiotics are finally on the horizon for this previously neglected patient population. The increased use of long-term inhaled antibiotics for a wider range of non-CF indications presents risks to the broader community of greater antimicrobial resistance development that must be carefully weighed against any demonstrated benefits. Copyright 2012 Prous Science, S.A.U. or its licensors. All rights reserved.

Vibration attenuation of the NASA Langley evolutionary structure experiment using H(sub infinity) and structured singular value (micron) robust multivariable control techniques

NASA Technical Reports Server (NTRS)

Balas, Gary J.

1992-01-01

The use is studied of active control to attenuate structural vibrations of the NASA Langley Phase Zero Evolutionary Structure due to external disturbance excitations. H sub infinity and structured singular value (mu) based control techniques are used to analyze and synthesize control laws for the NASA Langley Controls Structures Interaction (CSI) Evolutionary Model (CEM). The CEM structure experiment provides an excellent test bed to address control design issues for large space structures. Specifically, control design for structures with numerous lightly damped, coupled flexible modes, collocated and noncollocated sensors and actuators and stringent performance specifications. The performance objectives are to attenuate the vibration of the structure due to external disturbances, and minimize the actuator control force. The control design problem formulation for the CEM Structure uses a mathematical model developed with finite element techniques. A reduced order state space model for the control design is formulated from the finite element model. It is noted that there are significant variations between the design model and the experimentally derived transfer function data.

A novel minimum cost maximum power algorithm for future smart home energy management.

PubMed

Singaravelan, A; Kowsalya, M

2017-11-01

With the latest development of smart grid technology, the energy management system can be efficiently implemented at consumer premises. In this paper, an energy management system with wireless communication and smart meter are designed for scheduling the electric home appliances efficiently with an aim of reducing the cost and peak demand. For an efficient scheduling scheme, the appliances are classified into two types: uninterruptible and interruptible appliances. The problem formulation was constructed based on the practical constraints that make the proposed algorithm cope up with the real-time situation. The formulated problem was identified as Mixed Integer Linear Programming (MILP) problem, so this problem was solved by a step-wise approach. This paper proposes a novel Minimum Cost Maximum Power (MCMP) algorithm to solve the formulated problem. The proposed algorithm was simulated with input data available in the existing method. For validating the proposed MCMP algorithm, results were compared with the existing method. The compared results prove that the proposed algorithm efficiently reduces the consumer electricity consumption cost and peak demand to optimum level with 100% task completion without sacrificing the consumer comfort.

A web-based online collaboration platform for formulating engineering design projects

NASA Astrophysics Data System (ADS)

Varikuti, Sainath

Effective communication and collaboration among students, faculty and industrial sponsors play a vital role while formulating and solving engineering design projects. With the advent in the web technology, online platforms and systems have been proposed to facilitate interactions and collaboration among different stakeholders in the context of senior design projects. However, there are noticeable gaps in the literature with respect to understanding the effects of online collaboration platforms for formulating engineering design projects. Most of the existing literature is focused on exploring the utility of online platforms on activities after the problem is defined and teams are formed. Also, there is a lack of mechanisms and tools to guide the project formation phase in senior design projects, which makes it challenging for students and faculty to collaboratively develop and refine project ideas and to establish appropriate teams. In this thesis a web-based online collaboration platform is designed and implemented to share, discuss and obtain feedback on project ideas and to facilitate collaboration among students and faculty prior to the start of the semester. The goal of this thesis is to understand the impact of an online collaboration platform for formulating engineering design projects, and how a web-based online collaboration platform affects the amount of interactions among stakeholders during the early phases of design process. A survey measuring the amount of interactions among students and faculty is administered. Initial findings show a marked improvement in the students' ability to share project ideas and form teams with other students and faculty. Students found the online platform simple to use. The suggestions for improving the tool generally included features that were not necessarily design specific, indicating that the underlying concept of this collaborative platform provides a strong basis and can be extended for future online platforms. Although the platform was designed to promote collaboration, adoption of the collaborative platform by students and faculty has been slow. While the platform appears to be very useful for collaboration, more time is required for it to be widely used by all the stakeholders and to fully convert from email communication to the use of the online collaboration platform.

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

Dumbser, Michael, E-mail: michael.dumbser@unitn.it; Balsara, Dinshaw S., E-mail: dbalsara@nd.edu

In this paper a new, simple and universal formulation of the HLLEM Riemann solver (RS) is proposed that works for general conservative and non-conservative systems of hyperbolic equations. For non-conservative PDE, a path-conservative formulation of the HLLEM RS is presented for the first time in this paper. The HLLEM Riemann solver is built on top of a novel and very robust path-conservative HLL method. It thus naturally inherits the positivity properties and the entropy enforcement of the underlying HLL scheme. However, with just the slight additional cost of evaluating eigenvectors and eigenvalues of intermediate characteristic fields, we can represent linearlymore » degenerate intermediate waves with a minimum of smearing. For conservative systems, our paper provides the easiest and most seamless path for taking a pre-existing HLL RS and quickly and effortlessly converting it to a RS that provides improved results, comparable with those of an HLLC, HLLD, Osher or Roe-type RS. This is done with minimal additional computational complexity, making our variant of the HLLEM RS also a very fast RS that can accurately represent linearly degenerate discontinuities. Our present HLLEM RS also transparently extends these advantages to non-conservative systems. For shallow water-type systems, the resulting method is proven to be well-balanced. Several test problems are presented for shallow water-type equations and two-phase flow models, as well as for gas dynamics with real equation of state, magnetohydrodynamics (MHD & RMHD), and nonlinear elasticity. Since our new formulation accommodates multiple intermediate waves and has a broader applicability than the original HLLEM method, it could alternatively be called the HLLI Riemann solver, where the “I” stands for the intermediate characteristic fields that can be accounted for. -- Highlights: •New simple and general path-conservative formulation of the HLLEM Riemann solver. •Application to general conservative and non-conservative hyperbolic systems. •Inclusion of sub-structure and resolution of intermediate characteristic fields. •Well-balanced for single- and two-layer shallow water equations and multi-phase flows. •Euler equations with real equation of state, MHD equations, nonlinear elasticity.« less

Development and characterization of p1025-loaded bioadhesive liquid-crystalline system for the prevention of Streptococcus mutans biofilms.

PubMed

Calixto, Giovana Maria Fioramonti; Duque, Cristiane; Aida, Kelly Limi; Dos Santos, Vanessa Rodrigues; Massunari, Loiane; Chorilli, Marlus

2018-01-01

Formation of a dental biofilm by Streptococcus mutans can cause dental caries, and remains a costly health problem worldwide. Recently, there has been a growing interest in the use of peptidic drugs, such as peptide p1025, analogous to the fragments 1025-1044 of S. mutans cellular adhesin, responsible for the adhesion and formation of dental biofilm. However, peptides have physicochemical characteristics that may affect their biological action, limiting their clinical performance. Therefore, drug-delivery systems, such as a bioadhesive liquid-crystalline system (LCS), may be attractive strategies for peptide delivery. Potentiation of the action of LCS can be achieved with the use of bioadhesive polymers to prolong their residence on the teeth. In line with this, three formulations - polyoxypropylene-(5)-polyoxyethylene-(20)-cetyl alcohol, oleic acid, and Carbopol C974P in different combinations (F1C, F2C, and F3C) were developed to observe the influence of water in the LCS, with the aim of achieving in situ gelling in the oral environment. These formulations were assessed by polarized light microscopy, small-angle X-ray scattering, rheological analysis, and in vitro bioadhesion analysis. Then, p1025 and a control (chlorhexidine) were incorporated into the aqueous phase of the formulation (F + p1025 and F + chlorhexidine), to determine their antibiofilm effect and toxicity on epithelial cells. Polarized light microscopy and small-angle X-ray scattering showed that F1C and F2C were LCS, whereas F3C was a microemulsion. F1C and F2C showed pseudoplastic behavior and F3C Newtonian behavior. F1C showed the highest elastic and bioadhesive characteristics compared to other formulations. Antibiofilm effects were observed for F + p1025 when applied in the surface-bound salivary phase. The p1025-loaded nanostructured LCS presented limited cytotoxicity and effectively reduced S. mutans biofilm formation, and could be a promising p1025-delivery strategy to prevent the formation of S. mutans dental biofilm.

Collaborative Workshops for Assessment and Creation of Multi-Objective Decision Support for Multiple Sectors

NASA Astrophysics Data System (ADS)

Kasprzyk, J. R.; Smith, R.; Raseman, W. J.; DeRousseau, M. A.; Dilling, L.; Ozekin, K.; Summers, R. S.; Balaji, R.; Livneh, B.; Rosario-Ortiz, F.; Sprain, L.; Srubar, W. V., III

2017-12-01

This presentation will report on three projects that used interactive workshops with stakeholders to develop problem formulations for Multi-Objective Evolutionary Algorithm (MOEA)-based decision support in diverse fields - water resources planning, water quality engineering under climate extremes, and sustainable materials design. When combined with a simulation model of a system, MOEAs use intelligent search techniques to provide new plans or designs. This approach is gaining increasing prominence in design and planning for environmental sustainability. To use this technique, a problem formulation - objectives and constraints (quantitative measures of performance) and decision variables (actions that can be modified to improve the system) - must be identified. Although critically important for MOEA effectiveness, the problem formulations are not always developed with stakeholders' interests in mind. To ameliorate this issue, project workshops were organized to improve the tool's relevance as well as collaboratively build problem formulations that can be used in applications. There were interesting differences among the projects, which altered the findings of each workshop. Attendees ranged from a group of water managers on the Front Range of Colorado, to water utility representatives from across the country, to a set of designers, academics, and trade groups. The extent to which the workshop participants were already familiar with simulation tools contributed to their willingness to accept the solutions that were generated using the tool. Moreover, in some instances, brainstorming new objectives to include within the MOEA expanded the scope of the problem formulation, relative to the initial conception of the researchers. Through describing results across a diversity of projects, the goal of this presentation is to report on how our approach may inform future decision support collaboration with a variety of stakeholders and sectors.

Parallel Ellipsoidal Perfectly Matched Layers for Acoustic Helmholtz Problems on Exterior Domains

DOE PAGES

Bunting, Gregory; Prakash, Arun; Walsh, Timothy; ...

2018-01-26

Exterior acoustic problems occur in a wide range of applications, making the finite element analysis of such problems a common practice in the engineering community. Various methods for truncating infinite exterior domains have been developed, including absorbing boundary conditions, infinite elements, and more recently, perfectly matched layers (PML). PML are gaining popularity due to their generality, ease of implementation, and effectiveness as an absorbing boundary condition. PML formulations have been developed in Cartesian, cylindrical, and spherical geometries, but not ellipsoidal. In addition, the parallel solution of PML formulations with iterative solvers for the solution of the Helmholtz equation, and howmore » this compares with more traditional strategies such as infinite elements, has not been adequately investigated. In this study, we present a parallel, ellipsoidal PML formulation for acoustic Helmholtz problems. To faciliate the meshing process, the ellipsoidal PML layer is generated with an on-the-fly mesh extrusion. Though the complex stretching is defined along ellipsoidal contours, we modify the Jacobian to include an additional mapping back to Cartesian coordinates in the weak formulation of the finite element equations. This allows the equations to be solved in Cartesian coordinates, which is more compatible with existing finite element software, but without the necessity of dealing with corners in the PML formulation. Herein we also compare the conditioning and performance of the PML Helmholtz problem with infinite element approach that is based on high order basis functions. On a set of representative exterior acoustic examples, we show that high order infinite element basis functions lead to an increasing number of Helmholtz solver iterations, whereas for PML the number of iterations remains constant for the same level of accuracy. Finally, this provides an additional advantage of PML over the infinite element approach.« less

Parallel Ellipsoidal Perfectly Matched Layers for Acoustic Helmholtz Problems on Exterior Domains

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

Bunting, Gregory; Prakash, Arun; Walsh, Timothy

Exterior acoustic problems occur in a wide range of applications, making the finite element analysis of such problems a common practice in the engineering community. Various methods for truncating infinite exterior domains have been developed, including absorbing boundary conditions, infinite elements, and more recently, perfectly matched layers (PML). PML are gaining popularity due to their generality, ease of implementation, and effectiveness as an absorbing boundary condition. PML formulations have been developed in Cartesian, cylindrical, and spherical geometries, but not ellipsoidal. In addition, the parallel solution of PML formulations with iterative solvers for the solution of the Helmholtz equation, and howmore » this compares with more traditional strategies such as infinite elements, has not been adequately investigated. In this study, we present a parallel, ellipsoidal PML formulation for acoustic Helmholtz problems. To faciliate the meshing process, the ellipsoidal PML layer is generated with an on-the-fly mesh extrusion. Though the complex stretching is defined along ellipsoidal contours, we modify the Jacobian to include an additional mapping back to Cartesian coordinates in the weak formulation of the finite element equations. This allows the equations to be solved in Cartesian coordinates, which is more compatible with existing finite element software, but without the necessity of dealing with corners in the PML formulation. Herein we also compare the conditioning and performance of the PML Helmholtz problem with infinite element approach that is based on high order basis functions. On a set of representative exterior acoustic examples, we show that high order infinite element basis functions lead to an increasing number of Helmholtz solver iterations, whereas for PML the number of iterations remains constant for the same level of accuracy. Finally, this provides an additional advantage of PML over the infinite element approach.« less

Formulation and implementation of a practical algorithm for parameter estimation with process and measurement noise

NASA Technical Reports Server (NTRS)

Maine, R. E.; Iliff, K. W.

1980-01-01

A new formulation is proposed for the problem of parameter estimation of dynamic systems with both process and measurement noise. The formulation gives estimates that are maximum likelihood asymptotically in time. The means used to overcome the difficulties encountered by previous formulations are discussed. It is then shown how the proposed formulation can be efficiently implemented in a computer program. A computer program using the proposed formulation is available in a form suitable for routine application. Examples with simulated and real data are given to illustrate that the program works well.

Volumetric formulation for a class of kinetic models with energy conservation.

PubMed

Sbragaglia, M; Sugiyama, K

2010-10-01

We analyze a volumetric formulation of lattice Boltzmann for compressible thermal fluid flows. The velocity set is chosen with the desired accuracy, based on the Gauss-Hermite quadrature procedure, and tested against controlled problems in bounded and unbounded fluids. The method allows the simulation of thermohydrodyamical problems without the need to preserve the exact space-filling nature of the velocity set, but still ensuring the exact conservation laws for density, momentum, and energy. Issues related to boundary condition problems and improvements based on grid refinement are also investigated.

NP-hardness of the cluster minimization problem revisited

NASA Astrophysics Data System (ADS)

Adib, Artur B.

2005-10-01

The computational complexity of the 'cluster minimization problem' is revisited (Wille and Vennik 1985 J. Phys. A: Math. Gen. 18 L419). It is argued that the original NP-hardness proof does not apply to pairwise potentials of physical interest, such as those that depend on the geometric distance between the particles. A geometric analogue of the original problem is formulated, and a new proof for such potentials is provided by polynomial time transformation from the independent set problem for unit disk graphs. Limitations of this formulation are pointed out, and new subproblems that bear more direct consequences to the numerical study of clusters are suggested.

Benzyl Benzoate-Loaded Microemulsion for Topical Applications: Enhanced Dermatokinetic Profile and Better Delivery Promises.

PubMed

Sharma, Gajanand; Dhankar, Geeta; Thakur, Kanika; Raza, Kaisar; Katare, O P

2016-10-01

Benzyl benzoate (BB) is one of the oldest drugs used for the treatment of scabies and is recommended as the "first-line intervention" for the cost-effective treatment of the disease. Though a promising candidate, its application is reported to be associated with irritation of the skin and eye, resulting in poor patient compliance. Hence, the present study aims to develop BB-loaded topical microemulsion for the safer and effective delivery of BB. Pseudo-ternary phase diagrams with BB as the oily phase itself, along with Tween 80 as surfactant, and mixture of phospholipid and ethanol as the co-surfactant along with aqueous solution as the external phase were constructed and various compositions were formulated. The optimized formulation was characterized for particle-size, zeta-potential, drug-content, globule-morphology pH, and refractive-index, whereas evaluated for skin permeation, retention, compliance, and dermatokinetics. The nanosized formulation offered threefold higher drug permeation vis-a-vis plain drug solution across LACA mice abdominal skin. The drug retention of the selected formulation was nearly twice of that from the marketed product, assuring depot formulation and sustained release. The skin histopathology revealed the non-irritant nature of the formulation, as no changes in the normal skin histology were observed. The dermatokinetic studies confirmed better permeation and enhanced skin bioavailability of BB to epidermis as well as dermis vis-à-vis the conventional product. The results indicate that the developed lipid-based microemulsion hydrogel can alleviate the concerns associated with BB and can provide a better and safer delivery option in substantial amounts to various skin layers.

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

Wang, Y. B.; Zhu, X. W., E-mail: xiaowuzhu1026@znufe.edu.cn; Dai, H. H.

Though widely used in modelling nano- and micro- structures, Eringen’s differential model shows some inconsistencies and recent study has demonstrated its differences between the integral model, which then implies the necessity of using the latter model. In this paper, an analytical study is taken to analyze static bending of nonlocal Euler-Bernoulli beams using Eringen’s two-phase local/nonlocal model. Firstly, a reduction method is proved rigorously, with which the integral equation in consideration can be reduced to a differential equation with mixed boundary value conditions. Then, the static bending problem is formulated and four types of boundary conditions with various loadings aremore » considered. By solving the corresponding differential equations, exact solutions are obtained explicitly in all of the cases, especially for the paradoxical cantilever beam problem. Finally, asymptotic analysis of the exact solutions reveals clearly that, unlike the differential model, the integral model adopted herein has a consistent softening effect. Comparisons are also made with existing analytical and numerical results, which further shows the advantages of the analytical results obtained. Additionally, it seems that the once controversial nonlocal bar problem in the literature is well resolved by the reduction method.« less

Designing Waveform Sets with Good Correlation and Stopband Properties for MIMO Radar via the Gradient-Based Method

PubMed Central

Tang, Liang; Zhu, Yongfeng; Fu, Qiang

2017-01-01

Waveform sets with good correlation and/or stopband properties have received extensive attention and been widely used in multiple-input multiple-output (MIMO) radar. In this paper, we aim at designing unimodular waveform sets with good correlation and stopband properties. To formulate the problem, we construct two criteria to measure the correlation and stopband properties and then establish an unconstrained problem in the frequency domain. After deducing the phase gradient and the step size, an efficient gradient-based algorithm with monotonicity is proposed to minimize the objective function directly. For the design problem without considering the correlation weights, we develop a simplified algorithm, which only requires a few fast Fourier transform (FFT) operations and is more efficient. Because both of the algorithms can be implemented via the FFT operations and the Hadamard product, they are computationally efficient and can be used to design waveform sets with a large waveform number and waveform length. Numerical experiments show that the proposed algorithms can provide better performance than the state-of-the-art algorithms in terms of the computational complexity. PMID:28468308

Radiative transfer calculated from a Markov chain formalism

NASA Technical Reports Server (NTRS)

Esposito, L. W.; House, L. L.

1978-01-01

The theory of Markov chains is used to formulate the radiative transport problem in a general way by modeling the successive interactions of a photon as a stochastic process. Under the minimal requirement that the stochastic process is a Markov chain, the determination of the diffuse reflection or transmission from a scattering atmosphere is equivalent to the solution of a system of linear equations. This treatment is mathematically equivalent to, and thus has many of the advantages of, Monte Carlo methods, but can be considerably more rapid than Monte Carlo algorithms for numerical calculations in particular applications. We have verified the speed and accuracy of this formalism for the standard problem of finding the intensity of scattered light from a homogeneous plane-parallel atmosphere with an arbitrary phase function for scattering. Accurate results over a wide range of parameters were obtained with computation times comparable to those of a standard 'doubling' routine. The generality of this formalism thus allows fast, direct solutions to problems that were previously soluble only by Monte Carlo methods. Some comparisons are made with respect to integral equation methods.

Designing Waveform Sets with Good Correlation and Stopband Properties for MIMO Radar via the Gradient-Based Method.

PubMed

Tang, Liang; Zhu, Yongfeng; Fu, Qiang

2017-05-01

Waveform sets with good correlation and/or stopband properties have received extensive attention and been widely used in multiple-input multiple-output (MIMO) radar. In this paper, we aim at designing unimodular waveform sets with good correlation and stopband properties. To formulate the problem, we construct two criteria to measure the correlation and stopband properties and then establish an unconstrained problem in the frequency domain. After deducing the phase gradient and the step size, an efficient gradient-based algorithm with monotonicity is proposed to minimize the objective function directly. For the design problem without considering the correlation weights, we develop a simplified algorithm, which only requires a few fast Fourier transform (FFT) operations and is more efficient. Because both of the algorithms can be implemented via the FFT operations and the Hadamard product, they are computationally efficient and can be used to design waveform sets with a large waveform number and waveform length. Numerical experiments show that the proposed algorithms can provide better performance than the state-of-the-art algorithms in terms of the computational complexity.

Optimal Power Flow in Multiphase Radial Networks with Delta Connections: Preprint

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

Zhao, Changhong; Dall-Anese, Emiliano; Low, Steven H.

This paper focuses on multiphase radial distribution networks with mixed wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power-flow models are developed to facilitate the integration of delta-connected generation units/loads in the OPF problem. The first model extends traditional branch flow models - and it is referred to as extended branch flow model (EBFM). The second model leverages a linear relationship between per-phase power injections and delta connections, which holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinitemore » programs (SDPs). Numerical studies on IEEE test feeders show that SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidences indicate that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is also shown that the SDP solution under BVA has a small optimality gap, while the BVA model is accurate in the sense that it reflects actual system voltages.« less

Radiative transfer in a sphere illuminated by a parallel beam - An integral equation approach. [in planetary atmosphere

NASA Technical Reports Server (NTRS)

Shia, R.-L.; Yung, Y. L.

1986-01-01

The problem of multiple scattering of nonpolarized light in a planetary body of arbitrary shape illuminated by a parallel beam is formulated using the integral equation approach. There exists a simple functional whose stationarity condition is equivalent to solving the equation of radiative transfer and whose value at the stationary point is proportional to the differential cross section. The analysis reveals a direct relation between the microscopic symmetry of the phase function for each scattering event and the macroscopic symmetry of the differential cross section for the entire planetary body, and the interconnection of these symmetry relations and the variational principle. The case of a homogeneous sphere containing isotropic scatterers is investigated in detail. It is shown that the solution can be expanded in a multipole series such that the general spherical problem is reduced to solving a set of decoupled integral equations in one dimension. Computations have been performed for a range of parameters of interest, and illustrative examples of applications to planetary problems as provided.

A New Emulsion Liquid Membrane Based on a Palm Oil for the Extraction of Heavy Metals

PubMed Central

Björkegren, Sanna; Fassihi Karimi, Rose; Martinelli, Anna; Jayakumar, Natesan Subramanian; Hashim, Mohd Ali

2015-01-01

The extraction efficiency of hexavalent chromium, Cr(VI), from water has been investigated using a vegetable oil based emulsion liquid membrane (ELM) technique. The main purpose of this study was to create a novel ELM formulation by choosing a more environmentally friendly and non-toxic diluent such as palm oil. The membrane phase so formulated includes the mobile carrier tri-n-octylmethylammonium chloride (TOMAC), to facilitate the metal transport, and the hydrophilic surfactant Tween 80 to facilitate the dispersion of the ELM phase in the aqueous solution. Span 80 is used as surfactant and butanol as co-surfactant. Our results demonstrate that this novel ELM formulation, using the vegetable palm oil as diluent, is useful for the removal of hexavalent chromium with an efficiency of over 99% and is thus competitive with the already existing, yet less environmentally friendly, ELM formulations. This result was achieved with an optimal concentration of 0.1 M NaOH as stripping agent and an external phase pH of 0.5. Different water qualities have also been investigated showing that the type of water (deionized, distilled, or tap water) does not significantly influence the extraction rate. PMID:25915191

A scalable variational inequality approach for flow through porous media models with pressure-dependent viscosity

NASA Astrophysics Data System (ADS)

Mapakshi, N. K.; Chang, J.; Nakshatrala, K. B.

2018-04-01

Mathematical models for flow through porous media typically enjoy the so-called maximum principles, which place bounds on the pressure field. It is highly desirable to preserve these bounds on the pressure field in predictive numerical simulations, that is, one needs to satisfy discrete maximum principles (DMP). Unfortunately, many of the existing formulations for flow through porous media models do not satisfy DMP. This paper presents a robust, scalable numerical formulation based on variational inequalities (VI), to model non-linear flows through heterogeneous, anisotropic porous media without violating DMP. VI is an optimization technique that places bounds on the numerical solutions of partial differential equations. To crystallize the ideas, a modification to Darcy equations by taking into account pressure-dependent viscosity will be discretized using the lowest-order Raviart-Thomas (RT0) and Variational Multi-scale (VMS) finite element formulations. It will be shown that these formulations violate DMP, and, in fact, these violations increase with an increase in anisotropy. It will be shown that the proposed VI-based formulation provides a viable route to enforce DMP. Moreover, it will be shown that the proposed formulation is scalable, and can work with any numerical discretization and weak form. A series of numerical benchmark problems are solved to demonstrate the effects of heterogeneity, anisotropy and non-linearity on DMP violations under the two chosen formulations (RT0 and VMS), and that of non-linearity on solver convergence for the proposed VI-based formulation. Parallel scalability on modern computational platforms will be illustrated through strong-scaling studies, which will prove the efficiency of the proposed formulation in a parallel setting. Algorithmic scalability as the problem size is scaled up will be demonstrated through novel static-scaling studies. The performed static-scaling studies can serve as a guide for users to be able to select an appropriate discretization for a given problem size.

A geometric approach to failure detection and identification in linear systems

NASA Technical Reports Server (NTRS)

Massoumnia, M. A.

1986-01-01

Using concepts of (C,A)-invariant and unobservability (complementary observability) subspaces, a geometric formulation of the failure detection and identification filter problem is stated. Using these geometric concepts, it is shown that it is possible to design a causal linear time-invariant processor that can be used to detect and uniquely identify a component failure in a linear time-invariant system, assuming: (1) The components can fail simultaneously, and (2) The components can fail only one at a time. In addition, a geometric formulation of Beard's failure detection filter problem is stated. This new formulation completely clarifies of output separability and mutual detectability introduced by Beard and also exploits the dual relationship between a restricted version of the failure detection and identification problem and the control decoupling problem. Moreover, the frequency domain interpretation of the results is used to relate the concepts of failure sensitive observers with the generalized parity relations introduced by Chow. This interpretation unifies the various failure detection and identification concepts and design procedures.

Trajectory optimization for lunar rover performing vertical takeoff vertical landing maneuvers in the presence of terrain

NASA Astrophysics Data System (ADS)

Ma, Lin; Wang, Kexin; Xu, Zuhua; Shao, Zhijiang; Song, Zhengyu; Biegler, Lorenz T.

2018-05-01

This study presents a trajectory optimization framework for lunar rover performing vertical takeoff vertical landing (VTVL) maneuvers in the presence of terrain using variable-thrust propulsion. First, a VTVL trajectory optimization problem with three-dimensional kinematics and dynamics model, boundary conditions, and path constraints is formulated. Then, a finite-element approach transcribes the formulated trajectory optimization problem into a nonlinear programming (NLP) problem solved by a highly efficient NLP solver. A homotopy-based backtracking strategy is applied to enhance the convergence in solving the formulated VTVL trajectory optimization problem. The optimal thrust solution typically has a "bang-bang" profile considering that bounds are imposed on the magnitude of engine thrust. An adaptive mesh refinement strategy based on a constant Hamiltonian profile is designed to address the difficulty in locating the breakpoints in the thrust profile. Four scenarios are simulated. Simulation results indicate that the proposed trajectory optimization framework has sufficient adaptability to handle VTVL missions efficiently.

An overview of the formulation, existence and uniqueness issues for the initial value problem raised by the dynamics of discrete systems with unilateral contact and dry friction

NASA Astrophysics Data System (ADS)

Ballard, Patrick; Charles, Alexandre

2018-03-01

In the end of the seventies, Schatzman and Moreau undertook to revisit the venerable dynamics of rigid bodies with contact and dry friction in the light of more recent mathematics. One claimed objective was to reach, for the first time, a mathematically consistent formulation of an initial value problem associated with the dynamics. The purpose of this article is to make a review of the today state-of-art concerning not only the formulation, but also the issues of existence and uniqueness of solution. xml:lang="fr"

Propagation of singularities for linearised hybrid data impedance tomography

NASA Astrophysics Data System (ADS)

Bal, Guillaume; Hoffmann, Kristoffer; Knudsen, Kim

2018-02-01

For a general formulation of linearised hybrid inverse problems in impedance tomography, the qualitative properties of the solutions are analysed. Using an appropriate scalar pseudo-differential formulation, the problems are shown to permit propagating singularities under certain non-elliptic conditions, and the associated directions of propagation are precisely identified relative to the directions in which ellipticity is lost. The same result is found in the setting for the corresponding normal formulation of the scalar pseudo-differential equations. A numerical reconstruction procedure based of the least squares finite element method is derived, and a series of numerical experiments visualise exactly how the loss of ellipticity manifests itself as propagating singularities.

Infrared radiative energy transfer in gaseous systems

NASA Technical Reports Server (NTRS)

Tiwari, Surendra N.

1991-01-01

Analyses and numerical procedures are presented to investigate the radiative interactions in various energy transfer processes in gaseous systems. Both gray and non-gray radiative formulations for absorption and emission by molecular gases are presented. The gray gas formulations are based on the Planck mean absorption coefficient and the non-gray formulations are based on the wide band model correlations for molecular absorption. Various relations for the radiative flux and divergence of radiative flux are developed. These are useful for different flow conditions and physical problems. Specific plans for obtaining extensive results for different cases are presented. The procedure developed was applied to several realistic problems. Results of selected studies are presented.

The Preparation and Characterization of INTEC HAW Phase I Composition Variation Study Glasses

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

Musick, C. A.; Peeler, D. K.; Piepel, G. F.

1999-03-01

A glass composition variation study (CVS) is in progress to define formulations for the vitrification of high activity waste (HAW) proposed to be separated from dissolved calcine stored at the Idaho National Engineering and Environmental Laboratory (INEEL). Estimates of calcine and HAW compositions prepared in FY97 were used to define test matrix glasses. The HAW composition is of particular interest because high aluminum, zirconium, phosphorous and potassium, and low iron and sodium content places it outside the realm of vitrification experience in the Department of Energy (DOE) complex. Through application of statistical techniques, a test matrix was defined for Phasemore » 1 of the CVS. From this matrix, formulations were systematically selected for preparation and characterization with respect to homogeneity, viscosity, liquidus temperature (TL), and leaching response when subjected to the Product Consistency Test (PCT). Based on the properties determined, certain formulations appear suitable for further development including use in planning Phase 2 of the study. It is recommended that glasses to be investigated in Phase 2 be limited to 3-5 wt % phosphate. The results of characterizing the Phase 1 glasses are presented in this document. A full analysis of the composition-property relationships of glasses being developed for immobilizing HAWs will be performing at the completion of CVS phases. This analysis will be needed for the optimization of the glass formulations of vitrifying HAW. Contributions were made to this document by personnel working at the INEEL, Pacific Northwest National Laboratories (PNNL), and the Savannah River Technology Center (SRTC).« less

In situ forming phase-inversion implants for sustained ocular delivery of triamcinolone acetonide.

PubMed

Sheshala, Ravi; Hong, Gan Chew; Yee, Wong Pui; Meka, Venkata Srikanth; Thakur, Raghu Raj Singh

2018-02-26

The objectives of this study were to develop biodegradable poly-lactic-co-glycolic acid (PLGA) based injectable phase inversion in situ forming system for sustained delivery of triamcinolone acetonide (TA) and to conduct physicochemical characterisation including in vitro drug release of the prepared formulations. TA (at 0.5%, 1% and 2.5% w/w loading) was dissolved in N-methyl-2-pyrrolidone (NMP) solvent and then incorporated 30% w/w PLGA (50/50 and 75/25) polymer to prepare homogenous injectable solution. The formulations were evaluated for rheological behaviour using rheometer, syringeability by texture analyser, water uptake and rate of implant formation by optical coherence tomography (OCT) microscope. Phase inversion in situ forming formulations were injected into PBS pH 7.3 to form an implant and release samples were collected and analysed for drug content using a HPLC method. All formulations exhibited good syringeability and rheological properties (viscosity: 0.19-3.06 Pa.s) by showing shear thinning behaviour which enable them to remain as free-flowing solution for ease administration. The results from OCT microscope demonstrated that thickness of the implants were increased with the increase in time and the rate of implant formation indicated the fast phase inversion. The drug release from implants was sustained over a period of 42 days. The research findings demonstrated that PLGA/NMP-based phase inversion in situ forming implants can improve compliance in patient's suffering from ocular diseases by sustaining the drug release for a prolonged period of time and thereby reducing the frequency of ocular injections.

In vitro release of diclofenac diethylamine from caprylocaproyl macrogolglycerides based microemulsions.

PubMed

Djordjevic, Ljiljana; Primorac, Marija; Stupar, Mirjana

2005-05-30

The purpose of the present study was to determine the influence of both formulation parameters and vehicle structure on in vitro release rate of amphiphilic drug diclofenac diethylamine (DDA) from microemulsion vehicles containing PEG-8 caprylic/capric glycerides (surfactant), polyglyceryl-6 dioleate (cosurfactant), isopropyl myristate and water. From the constructed pseudo-ternary phase diagram at surfactant-cosurfactant mass ratio (K(m) 1:1), the optimum oil-to-surfactant-cosurfactant mass ratio values (O/SC 0.67-1.64) for formulation of microemulsions with similar concentrations of hydrophilic, lipophilic and amphiphilic phases (balanced microemulsions) were found. The results of characterization experiments indicated bicontinuous or nonspherical water-continuous internal structure of the selected microemulsion vehicles. Low water/isopropyl myristate apparent partition coefficient for DDA as well as elevated electrical conductivity and apparent viscosity values for the investigated microemulsion formulations containing 1.16% (w/w) of DDA, suggested that the drug molecules was predominantly partitioned in the water phase and most likely selfaggregate and interact with interfacial film. Release of DDA from the selected water-continuous (W/O), oil-continuous (O/W) and balanced microemulsions was investigated using rotating paddle dissolution apparatus modified by addition of enhancer cell. A linear diffusion of DDA through regenerated cellulose membrane was observed for the W/O and O/W formulations with the low content of dispersed phase. Non-linearity of the drug release profile in the case of bicontinuous formulations was related to the more complex distribution of DDA including interactions between the drug and vehicle. The membrane flux value increases from 25.02 microgcm(-2)h(-1) (W/O microemulsion) to 117.94 microgcm(-2)h(-1) (O/W microemulsion) as the water phase concentration increases. Moreover, the obtained flux values for balanced microemulsions (29.38-63.70 microgcm(-2)h(-1)) suggested that bicontinuous microstructure hampers the release of the amphiphilic drug.

Development of formulation device for periodontal disease.

PubMed

Sato, Yasuhiko; Oba, Takuma; Watanabe, Norio; Danjo, Kazumi

2012-01-01

In addition to providing standard surgical treatment that removes the plaque and infected tissues, medications that can regenerate periodontal tissue are also required in the treatment of periodontal disease. As a form of regenerative medication, various growth factors are expected to be used while treating periodontal disease. A protein-like growth factor is often developed as a lyophilized product with dissolution liquid, considering its instability in the solution state. We have clarified that the formulation for periodontal disease needs to be viscous. When the lyophilized product was dissolved using a sticky solution, various problems were encountered, difficulty in dissolving and air bubbles, for example, and some efforts were needed to prepare the formulation. In this research, to identify the problem of preparing a viscous formulation, a lyophilized product (placebo) and sticky liquid were prepared by using vial and ampoule as the conventional containers. Based on these problems, a prototype administration device was developed, and its functionality was confirmed. As a result, it was suggested that the device with a useful mixing system that could shorten the preparation time was developed.

Analysis of Flame Deflector Spray Nozzles in Rocket Engine Test Stands

NASA Technical Reports Server (NTRS)

Sachdev, Jai S.; Ahuja, Vineet; Hosangadi, Ashvin; Allgood, Daniel C.

2010-01-01

The development of a unified tightly coupled multi-phase computational framework is described for the analysis and design of cooling spray nozzle configurations on the flame deflector in rocket engine test stands. An Eulerian formulation is used to model the disperse phase and is coupled to the gas-phase equations through momentum and heat transfer as well as phase change. The phase change formulation is modeled according to a modified form of the Hertz-Knudsen equation. Various simple test cases are presented to verify the validity of the numerical framework. The ability of the methodology to accurately predict the temperature load on the flame deflector is demonstrated though application to an actual sub-scale test facility. The CFD simulation was able to reproduce the result of the test-firing, showing that the spray nozzle configuration provided insufficient amount of cooling.

Optimization and characterization of liposome formulation by mixture design.

PubMed

Maherani, Behnoush; Arab-tehrany, Elmira; Kheirolomoom, Azadeh; Reshetov, Vadzim; Stebe, Marie José; Linder, Michel

2012-02-07

This study presents the application of the mixture design technique to develop an optimal liposome formulation by using the different lipids in type and percentage (DOPC, POPC and DPPC) in liposome composition. Ten lipid mixtures were generated by the simplex-centroid design technique and liposomes were prepared by the extrusion method. Liposomes were characterized with respect to size, phase transition temperature, ζ-potential, lamellarity, fluidity and efficiency in loading calcein. The results were then applied to estimate the coefficients of mixture design model and to find the optimal lipid composition with improved entrapment efficiency, size, transition temperature, fluidity and ζ-potential of liposomes. The response optimization of experiments was the liposome formulation with DOPC: 46%, POPC: 12% and DPPC: 42%. The optimal liposome formulation had an average diameter of 127.5 nm, a phase-transition temperature of 11.43 °C, a ζ-potential of -7.24 mV, fluidity (1/P)(TMA-DPH)((¬)) value of 2.87 and an encapsulation efficiency of 20.24%. The experimental results of characterization of optimal liposome formulation were in good agreement with those predicted by the mixture design technique.

An integer programming formulation of the parsimonious loss of heterozygosity problem.

PubMed

Catanzaro, Daniele; Labbé, Martine; Halldórsson, Bjarni V

2013-01-01

A loss of heterozygosity (LOH) event occurs when, by the laws of Mendelian inheritance, an individual should be heterozygote at a given site but, due to a deletion polymorphism, is not. Deletions play an important role in human disease and their detection could provide fundamental insights for the development of new diagnostics and treatments. In this paper, we investigate the parsimonious loss of heterozygosity problem (PLOHP), i.e., the problem of partitioning suspected polymorphisms from a set of individuals into a minimum number of deletion areas. Specifically, we generalize Halldórsson et al.'s work by providing a more general formulation of the PLOHP and by showing how one can incorporate different recombination rates and prior knowledge about the locations of deletions. Moreover, we show that the PLOHP can be formulated as a specific version of the clique partition problem in a particular class of graphs called undirected catch-point interval graphs and we prove its general $({\\cal NP})$-hardness. Finally, we provide a state-of-the-art integer programming (IP) formulation and strengthening valid inequalities to exactly solve real instances of the PLOHP containing up to 9,000 individuals and 3,000 SNPs. Our results give perspectives on the mathematics of the PLOHP and suggest new directions on the development of future efficient exact solution approaches.

Fuzzy multiobjective models for optimal operation of a hydropower system

NASA Astrophysics Data System (ADS)

Teegavarapu, Ramesh S. V.; Ferreira, André R.; Simonovic, Slobodan P.

2013-06-01

Optimal operation models for a hydropower system using new fuzzy multiobjective mathematical programming models are developed and evaluated in this study. The models use (i) mixed integer nonlinear programming (MINLP) with binary variables and (ii) integrate a new turbine unit commitment formulation along with water quality constraints used for evaluation of reservoir downstream impairment. Reardon method used in solution of genetic algorithm optimization problems forms the basis for development of a new fuzzy multiobjective hydropower system optimization model with creation of Reardon type fuzzy membership functions. The models are applied to a real-life hydropower reservoir system in Brazil. Genetic Algorithms (GAs) are used to (i) solve the optimization formulations to avoid computational intractability and combinatorial problems associated with binary variables in unit commitment, (ii) efficiently address Reardon method formulations, and (iii) deal with local optimal solutions obtained from the use of traditional gradient-based solvers. Decision maker's preferences are incorporated within fuzzy mathematical programming formulations to obtain compromise operating rules for a multiobjective reservoir operation problem dominated by conflicting goals of energy production, water quality and conservation releases. Results provide insight into compromise operation rules obtained using the new Reardon fuzzy multiobjective optimization framework and confirm its applicability to a variety of multiobjective water resources problems.

Solid dispersions, part I: recent evolutions and future opportunities in manufacturing methods for dissolution rate enhancement of poorly water-soluble drugs.

PubMed

Bikiaris, Dimitrios N

2011-11-01

In recent years, the number of active pharmaceutical ingredients with high therapeutic impact, but very low water solubility, has increased significantly. Thus, a great challenge for pharmaceutical technology is to create new formulations and efficient drug-delivery systems to overcome these dissolution problems. Drug formulation in solid dispersions (SDs) is one of the most commonly used techniques for the dissolution rate enhancement of poorly water-soluble drugs. Generally, SDs can be defined as a dispersion of active ingredients in molecular, amorphous and/or microcrystalline forms into an inert carrier. This review covers literature which states that the dissolution enhancement of SDs is based on the fact that drugs in the nanoscale range, or in amorphous phase, dissolve faster and to a greater extent than micronized drug particles. This is in accordance to the Noyes-Whitney equation, while the wetting properties of the used polymer may also play an important role. The main factors why SD-based pharmaceutical products on the market are steadily increasing over the last few years are: the recent progress in various methods used for the preparation of SDs, the effect of evolved interactions in physical state of the drug and formulation stability during storage, the characterization of the physical state of the drug and the mechanism of dissolution rate enhancement.

Microemulsion-loaded hydrogel formulation of butenafine hydrochloride for improved topical delivery.

PubMed

Pillai, Anilkumar B; Nair, Jyothilaksmi V; Gupta, Nishant Kumar; Gupta, Swati

2015-09-01

Topical microemulsion systems for the antifungal drug, butenafine hydrochloride (BTF) were designed and developed to overcome the problems associated with the cutaneous delivery due to poor water solubility. The solubility of BTF in oils, surfactants and co-surfactants was evaluated to screen the components of the microemulsion. Isopropyl palmitate was used as the oil phase, aerosol OT as the surfactant and sorbitan monooleate as co-surfactant. The pseudoternary diagrams were constructed to identify the area of microemulsion existence and optimum systems were designed. The systems were assessed for drug-loading efficiency and characterized for pH, robustness to dilution, globule size, drug content and stability. Viscosity analysis, spreadability, drug content assay, ex vivo skin permeation study and antifungal activity assay were performed for the optimized microemulsion-loaded hydrogel. The optimized BTF microemulsion had a small and uniform globule size. The incorporation of microemulsion system into Carbopol 940 gel was found to be better as compared to sodium alginate or hydroxyl propyl methyl cellulose (HPMC K4 M) gel. The developed gel has shown better ex vivo skin permeation and antifungal activity when compared to marketed BTF cream. Thus, the results provide a basis for the successful delivery of BTF from microemulsion-loaded hydrogel formulation, which resulted in improved penetration of drug and antifungal activity in comparison with commercial formulation of BTF.

Safety, reactogenicity and immunogenicity of a novel pneumococcal protein-based vaccine in adults: a phase I/II randomized clinical study.

PubMed

Leroux-Roels, Geert; Maes, Cathy; De Boever, Fien; Traskine, Magali; Rüggeberg, Jens U; Borys, Dorota

2014-11-28

New vaccines containing highly conserved Streptococcus pneumoniae proteins such as pneumolysin toxoid (dPly) and histidine-triad protein D (PhtD) are being developed to provide broader protection against pneumococcal disease. This study evaluated the safety, reactogenicity and immunogenicity of different pneumococcal protein-containing formulations in adults. In a phase I double-blind study (www.clinicaltrials.gov: NCT00707798), healthy adults (18-40 years) were randomized (1:2:2:2:2:2:2) to receive two doses of one of six investigational vaccine formulations 2 months apart, or a single dose of the control 23-valent pneumococcal polysaccharide vaccine (23PPV; Pneumovax23™, Sanofi Pasteur MSD) followed by placebo. The investigational formulations contained dPly alone (10 or 30 μg), or both dPly and PhtD (10 or 30 μg each) alone or combined with the polysaccharide conjugates of the 10-valent pneumococcal non-typeable Haemophilus influenzae protein D conjugate vaccine (PHiD-CV; Synflorix™, GlaxoSmithKline Vaccines). Two groups primed with a formulation containing dPly and PhtD (10 or 30 μg each) continued to the follow-up phase II study (NCT00896064), in which they received a booster dose at 5-9 months after primary vaccination. Of 156 enrolled and vaccinated adults, 146 completed the primary immunization and 43 adults received a booster dose. During primary and booster vaccination, for any formulation, ≤ 8.9% of doses were followed by grade 3 solicited local or general adverse events. No fever >39.5°C (oral temperature) was reported. Unsolicited adverse events considered causally related to vaccination were reported following ≤ 33.3% of investigational vaccine doses. No serious adverse events were reported for adults receiving investigational vaccine formulations. Formulations containing dPly with or without PhtD were immunogenic for these antigens; polysaccharide conjugate-containing formulations were also immunogenic for those 10 polysaccharides. Investigational vaccine formulations containing dPly and PhtD were well tolerated and immunogenic when administered to healthy adults as standalone protein vaccine or combined with PHiD-CV conjugates. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

Superfield quantization

NASA Astrophysics Data System (ADS)

Batalin, I. A.; Bering, K.; Damgaard, P. H.

1998-03-01

We present a superfield formulation of the quantization program for theories with first-class constraints. An exact operator formulation is given, and we show how to set up a phase-space path integral entirely in terms of superfields. BRST transformations and canonical transformations enter on equal footing, and they allow us to establish a superspace analog of the BFV theorem. We also present a formal derivation of the Lagrangian superfield analogue of the field-antifield formalism by an integration over half of the phase-space variables.

Method of implementing digital phase-locked loops

NASA Technical Reports Server (NTRS)

Stephens, Scott A. (Inventor); Thomas, Jess Brooks, Jr. (Inventor)

1993-01-01

In a new formulation for digital phase-locked loops, loop-filter constants are determined from loop roots that can each be selectively placed in the s-plane on the basis of a new set of parameters, each with simple and direct physical meaning in terms of loop noise bandwidth, root-specific decay rate, or root-specific damping. Loops of first to fourth order are treated in the continuous-update approximation (BLT yields 0) and in a discrete-update formulation with arbitrary BLT. Deficiencies of the continuous-update approximation in large-BLT applications are avoided in the new discrete-update formulation. A new method for direct, transient-free acquisition with third- and fourth-order loops can improve the versatility and reliability of acquisition with such loops.

Physico-chemical separation process of nanoparticles in cosmetic formulations

NASA Astrophysics Data System (ADS)

Retamal Marín, R. R.; Babick, F.; Stintz, M.

2017-06-01

Understanding the world of nanoparticles, especially their interactions with the environment, begins with their correct detection and successive quantification. To achieve this purpose, one needs to perform correctly developed standard operating procedures (SOPs). Furthermore, the study of nanoparticles frequently requires their characterisation in complex media (e.g. in cosmetic formulations). In this study, a set of sample preparation procedures for the detection and extraction of NMs in emulsion-based formulations is proposed and their performance for model and real-life products is discussed. A separation or extraction of lipid phases is achieved by means of organic solvents. The polarity of the lipid phases is decisive for selecting an optimum solvent. The use of the Hansen Solubility Parameters (HSP) may clearly support this decision.

Formulation and optimization by experimental design of eco-friendly emulsions based on d-limonene.

PubMed

Pérez-Mosqueda, Luis M; Trujillo-Cayado, Luis A; Carrillo, Francisco; Ramírez, Pablo; Muñoz, José

2015-04-01

d-Limonene is a natural occurring solvent that can replace more pollutant chemicals in agrochemical formulations. In the present work, a comprehensive study of the influence of dispersed phase mass fraction, ϕ, and of the surfactant/oil ratio, R, on the emulsion stability and droplet size distribution of d-limonene-in-water emulsions stabilized by a non-ionic triblock copolymer surfactant has been carried out. An experimental full factorial design 3(2) was conducted in order to optimize the emulsion formulation. The independent variables, ϕ and R were studied in the range 10-50 wt% and 0.02-0.1, respectively. The emulsions studied were mainly destabilized by both creaming and Ostwald ripening. Therefore, initial droplet size and an overall destabilization parameter, the so-called turbiscan stability index, were used as dependent variables. The optimal formulation, comprising minimum droplet size and maximum stability was achieved at ϕ=50 wt%; R=0.062. Furthermore, the surface response methodology allowed us to obtain the formulation yielding sub-micron emulsions by using a single step rotor/stator homogenizer process instead of most commonly used two-step emulsification methods. In addition, the optimal formulation was further improved against Ostwald ripening by adding silicone oil to the dispersed phase. The combination of these experimental findings allowed us to gain a deeper insight into the stability of these emulsions, which can be applied to the rational development of new formulations with potential application in agrochemical formulations. Copyright © 2015 Elsevier B.V. All rights reserved.

Constitutive modeling of glassy shape memory polymers

NASA Astrophysics Data System (ADS)

Khanolkar, Mahesh

The aim of this research is to develop constitutive models for non-linear materials. Here, issues related for developing constitutive model for glassy shape memory polymers are addressed in detail. Shape memory polymers are novel material that can be easily formed into complex shapes, retaining memory of their original shape even after undergoing large deformations. The temporary shape is stable and return to the original shape is triggered by a suitable mechanism such heating the polymer above a transition temperature. Glassy shape memory polymers are called glassy because the temporary shape is fixed by the formation of a glassy solid, while return to the original shape is due to the melting of this glassy phase. The constitutive model has been developed to capture the thermo-mechanical behavior of glassy shape memory polymers using elements of nonlinear mechanics and polymer physics. The key feature of this framework is that a body can exist stress free in numerous natural configurations, the underlying natural configuration of the body changing during the process, with the response of the body being elastic from these evolving natural configurations. The aim of this research is to formulate a constitutive model for glassy shape memory polymers (GSMP) which takes in to account the fact that the stress-strain response depends on thermal expansion of polymers. The model developed is for the original amorphous phase, the temporary glassy phase and transition between these phases. The glass transition process has been modeled using a framework that was developed recently for studying crystallization in polymers and is based on the theory of multiple natural configurations. Using the same frame work, the melting of the glassy phase to capture the return of the polymer to its original shape is also modeled. The effect of nanoreinforcement on the response of shape memory polymers (GSMP) is studied and a model is developed. In addition to modeling and solving boundary value problems for GSMP's, problems of importance for CSMP, specifically a shape memory cycle (Torsion of a Cylinder) is solved using the developed crystallizable shape memory polymer model. To solve complex boundary value problems in realistic geometries a user material subroutine (UMAT) for GSMP model has been developed for use in conjunction with the commercial finite element software ABAQUS. The accuracy of the UMAT has been verified by testing it against problems for which the results are known.

Influence of the choice of gas-phase mechanism on predictions of key gaseous pollutants during the AQMEII phase-2 intercomparison

EPA Science Inventory

The formulations of tropospheric gas-phase chemistry (“mechanisms”)used in the regional-scale chemistry-transport models participating in theAir Quality Modelling Evaluation International Initiative (AQMEII) Phase2 are intercompared by the means of box model studies. Simulations ...

Tackling wicked problems: how theories of agency can provide new insights.

PubMed

Varpio, Lara; Aschenbrener, Carol; Bates, Joanna

2017-04-01

This paper reviews why and how theories of agency can be used as analytical lenses to help health professions education (HPE) scholars address our community's wicked problems. Wicked problems are those that resist clear problem statements, defy traditional analysis approaches, and refuse definitive resolution (e.g. student remediation, assessments of professionalism, etc.). We illustrate how theories of agency can provide new insights into such challenges by examining the application of these theories to one particular wicked problem in HPE: interprofessional education (IPE). After searching the HPE literature and finding that theories of agency had received little attention, we borrowed techniques from narrative literature reviews to search databases indexing a broad scope of disciplines (i.e. ERIC, Web of Science, Scopus, MEDLINE and PubMed) for publications (1994-2014) that: (i) examined agency, or (ii) incorporated an agency-informed analytical perspective. The lead author identified the theories of agency used in these articles, and reviewed the texts on agency cited therein and the original sources of each theory. We identified 10 theories of agency that we considered to be applicable to HPE's wicked problems. To select a subset of theories for presentation in this paper, we discussed each theory in relation to some of HPE's wicked problems. Through debate and reflection, we unanimously agreed on the applicability of a subset of theories for illuminating HPE's wicked problems. This subset is described in this paper. We present four theories of agency: Butler's post-structural formulation; Giddens' sociological formulation; cultural historical activity theory's formulation, and Bandura's social cognitive psychology formulation. We introduce each theory and apply each to the challenges of engaging in IPE. Theories of agency can inform HPE scholarship in novel and generative ways. Each theory offers new insights into the roots of wicked problems and means for contending with them. © 2017 John Wiley & Sons Ltd and The Association for the Study of Medical Education.

Fostering creativity in product and service development: validation in the domain of information technology.

PubMed

Zeng, Liang; Proctor, Robert W; Salvendy, Gavriel

2011-06-01

This research is intended to empirically validate a general model of creative product and service development proposed in the literature. A current research gap inspired construction of a conceptual model to capture fundamental phases and pertinent facilitating metacognitive strategies in the creative design process. The model also depicts the mechanism by which design creativity affects consumer behavior. The validity and assets of this model have not yet been investigated. Four laboratory studies were conducted to demonstrate the value of the proposed cognitive phases and associated metacognitive strategies in the conceptual model. Realistic product and service design problems were used in creativity assessment to ensure ecological validity. Design creativity was enhanced by explicit problem analysis, whereby one formulates problems from different perspectives and at different levels of abstraction. Remote association in conceptual combination spawned more design creativity than did near association. Abstraction led to greater creativity in conducting conceptual expansion than did specificity, which induced mental fixation. Domain-specific knowledge and experience enhanced design creativity, indicating that design can be of a domain-specific nature. Design creativity added integrated value to products and services and positively influenced customer behavior. The validity and value of the proposed conceptual model is supported by empirical findings. The conceptual model of creative design could underpin future theory development. Propositions advanced in this article should provide insights and approaches to facilitate organizations pursuing product and service creativity to gain competitive advantage.

An Application of Self-Organizing Map for Multirobot Multigoal Path Planning with Minmax Objective.

PubMed

Faigl, Jan

2016-01-01

In this paper, Self-Organizing Map (SOM) for the Multiple Traveling Salesman Problem (MTSP) with minmax objective is applied to the robotic problem of multigoal path planning in the polygonal domain. The main difficulty of such SOM deployment is determination of collision-free paths among obstacles that is required to evaluate the neuron-city distances in the winner selection phase of unsupervised learning. Moreover, a collision-free path is also needed in the adaptation phase, where neurons are adapted towards the presented input signal (city) to the network. Simple approximations of the shortest path are utilized to address this issue and solve the robotic MTSP by SOM. Suitability of the proposed approximations is verified in the context of cooperative inspection, where cities represent sensing locations that guarantee to "see" the whole robots' workspace. The inspection task formulated as the MTSP-Minmax is solved by the proposed SOM approach and compared with the combinatorial heuristic GENIUS. The results indicate that the proposed approach provides competitive results to GENIUS and support applicability of SOM for robotic multigoal path planning with a group of cooperating mobile robots. The proposed combination of approximate shortest paths with unsupervised learning opens further applications of SOM in the field of robotic planning.

An Application of Self-Organizing Map for Multirobot Multigoal Path Planning with Minmax Objective

PubMed Central

Faigl, Jan

2016-01-01

In this paper, Self-Organizing Map (SOM) for the Multiple Traveling Salesman Problem (MTSP) with minmax objective is applied to the robotic problem of multigoal path planning in the polygonal domain. The main difficulty of such SOM deployment is determination of collision-free paths among obstacles that is required to evaluate the neuron-city distances in the winner selection phase of unsupervised learning. Moreover, a collision-free path is also needed in the adaptation phase, where neurons are adapted towards the presented input signal (city) to the network. Simple approximations of the shortest path are utilized to address this issue and solve the robotic MTSP by SOM. Suitability of the proposed approximations is verified in the context of cooperative inspection, where cities represent sensing locations that guarantee to “see” the whole robots' workspace. The inspection task formulated as the MTSP-Minmax is solved by the proposed SOM approach and compared with the combinatorial heuristic GENIUS. The results indicate that the proposed approach provides competitive results to GENIUS and support applicability of SOM for robotic multigoal path planning with a group of cooperating mobile robots. The proposed combination of approximate shortest paths with unsupervised learning opens further applications of SOM in the field of robotic planning. PMID:27340395

Order Batching in Warehouses by Minimizing Total Tardiness: A Hybrid Approach of Weighted Association Rule Mining and Genetic Algorithms

PubMed Central

Taheri, Shahrooz; Mat Saman, Muhamad Zameri; Wong, Kuan Yew

2013-01-01

One of the cost-intensive issues in managing warehouses is the order picking problem which deals with the retrieval of items from their storage locations in order to meet customer requests. Many solution approaches have been proposed in order to minimize traveling distance in the process of order picking. However, in practice, customer orders have to be completed by certain due dates in order to avoid tardiness which is neglected in most of the related scientific papers. Consequently, we proposed a novel solution approach in order to minimize tardiness which consists of four phases. First of all, weighted association rule mining has been used to calculate associations between orders with respect to their due date. Next, a batching model based on binary integer programming has been formulated to maximize the associations between orders within each batch. Subsequently, the order picking phase will come up which used a Genetic Algorithm integrated with the Traveling Salesman Problem in order to identify the most suitable travel path. Finally, the Genetic Algorithm has been applied for sequencing the constructed batches in order to minimize tardiness. Illustrative examples and comparisons are presented to demonstrate the proficiency and solution quality of the proposed approach. PMID:23864823

Order batching in warehouses by minimizing total tardiness: a hybrid approach of weighted association rule mining and genetic algorithms.

PubMed

Azadnia, Amir Hossein; Taheri, Shahrooz; Ghadimi, Pezhman; Saman, Muhamad Zameri Mat; Wong, Kuan Yew

2013-01-01

One of the cost-intensive issues in managing warehouses is the order picking problem which deals with the retrieval of items from their storage locations in order to meet customer requests. Many solution approaches have been proposed in order to minimize traveling distance in the process of order picking. However, in practice, customer orders have to be completed by certain due dates in order to avoid tardiness which is neglected in most of the related scientific papers. Consequently, we proposed a novel solution approach in order to minimize tardiness which consists of four phases. First of all, weighted association rule mining has been used to calculate associations between orders with respect to their due date. Next, a batching model based on binary integer programming has been formulated to maximize the associations between orders within each batch. Subsequently, the order picking phase will come up which used a Genetic Algorithm integrated with the Traveling Salesman Problem in order to identify the most suitable travel path. Finally, the Genetic Algorithm has been applied for sequencing the constructed batches in order to minimize tardiness. Illustrative examples and comparisons are presented to demonstrate the proficiency and solution quality of the proposed approach.

Initial-value semiclassical propagators for the Wigner phase space representation: Formulation based on the interpretation of the Moyal equation as a Schrödinger equation.

PubMed

Koda, Shin-ichi

2015-12-28

We formulate various semiclassical propagators for the Wigner phase space representation from a unified point of view. As is shown in several studies, the Moyal equation, which is an equation of motion for the Wigner distribution function, can be regarded as the Schrödinger equation of an extended Hamiltonian system where its "position" and "momentum" correspond to the middle point of two points of the original phase space and the difference between them, respectively. Then we show that various phase-space semiclassical propagators can be formulated just by applying existing semiclassical propagators to the extended system. As a result, a phase space version of the Van Vleck propagator, the initial-value Van Vleck propagator, the Herman-Kluk propagator, and the thawed Gaussian approximation are obtained. In addition, we numerically compare the initial-value phase-space Van Vleck propagator, the phase-space Herman-Kluk propagator, and the classical mechanical propagation as approximation methods for the time propagation of the Wigner distribution function in terms of both accuracy and convergence speed. As a result, we find that the convergence speed of the Van Vleck propagator is far slower than others as is the case of the Hilbert space, and the Herman-Kluk propagator keeps its accuracy for a long period compared with the classical mechanical propagation while the convergence speed of the latter is faster than the former.

Equivalent formulations of the Riemann hypothesis based on lines of constant phase

NASA Astrophysics Data System (ADS)

Schleich, W. P.; Bezděková, I.; Kim, M. B.; Abbott, P. C.; Maier, H.; Montgomery, H. L.; Neuberger, J. W.

2018-06-01

We prove the equivalence of three formulations of the Riemann hypothesis for functions f defined by the four assumptions: (a 1) f satisfies the functional equation f(1 ‑ s) = f(s) for the complex argument s ≡ σ + iτ, (a2) f is free of any pole, (a3) for large positive values of σ the phase θ of f increases in a monotonic way without a bound as τ increases, and (a4) the zeros of f as well as of the first derivative f ‧ of f are simple zeros. The three equivalent formulations are: (R1) All zeros of f are located on the critical line σ = 1/2, (R2) All lines of constant phase of f corresponding to +/- π ,+/- 2π ,+/- 3π , ... merge with the critical line, and (R3) All points where f ‧ vanishes are located on the critical line, and the phases of f at two consecutive zeros of f ‧ differ by π. Our proof relies on the topology of the lines of constant phase of f dictated by complex analysis and the assumptions (a1)–(a4). Moreover, we show that (R2) implies (R1) even in the absence of (a4). In this case (a4) is a consequence of (R2).

An Etiological Approach to Sexual Offender Assessment: CAse Formulation Incorporating Risk Assessment (CAFIRA).

PubMed

Craig, Leam A; Rettenberger, Martin

2018-05-19

Case formulations (CF) have been the cornerstone of effective practice in clinical psychology since the 1950s and now form one of the core competencies in clinical and forensic assessment. The use of CFs within forensic settings is becoming more relevant when working with offenders who have experienced significant trauma, suffered from personality disorder, and have displayed sexually abusive behavior. Furthermore, most North American and European jurisdictions insist that expert witnesses adopt an idiosyncratic approach to risk assessment and consider the characteristics of the individual as part of a wider formulation of the problem behavior. This article focuses specifically on CF incorporating risk assessment procedures of sexual offenders. While empirical support for the use of risk analysis and formulation in managing offending behavior generally, and sexual offending behavior in particular, is limited, there is mounting evidence to suggest that CF can improve understanding of an individual's problem sexual behaviors. We argue that by integrating risk formulations into the CF provides a conceptually robust link between the etiologically development of the problem sexual behavior and effective assessment and risk management of sexual offenders. As forensic treatment programs increasingly moved toward strength-based approaches, in keeping with the Risk-Need-Responsivity principles Andrews and Bonta (2004), and the Good Lives Model Ward and Stewart (Prof Psychol Res Pract 34:353-60, 2003) of offender rehabilitation, the use of CFs in the assessment, treatment, and management of sexual offenders is indispensable. We present an etiological framework for understanding risk in an individual sexual offender by integrating a case formulation model to include the use of (static, stable, and acute) actuarial and clinical risk assessment measures as well as protective risk factors, referred to as the CAse Formulation Incorporating Risk Assessment (CAFIRA) model.

Size effects in martensitic microstructures: Finite-strain phase field model versus sharp-interface approach

NASA Astrophysics Data System (ADS)

Tůma, K.; Stupkiewicz, S.; Petryk, H.

2016-10-01

A finite-strain phase field model for martensitic phase transformation and twinning in shape memory alloys is developed and confronted with the corresponding sharp-interface approach extended to interfacial energy effects. The model is set in the energy framework so that the kinetic equations and conditions of mechanical equilibrium are fully defined by specifying the free energy and dissipation potentials. The free energy density involves the bulk and interfacial energy contributions, the latter describing the energy of diffuse interfaces in a manner typical for phase-field approaches. To ensure volume preservation during martensite reorientation at finite deformation within a diffuse interface, it is proposed to apply linear mixing of the logarithmic transformation strains. The physically different nature of phase interfaces and twin boundaries in the martensitic phase is reflected by introducing two order-parameters in a hierarchical manner, one as the reference volume fraction of austenite, and thus of the whole martensite, and the second as the volume fraction of one variant of martensite in the martensitic phase only. The microstructure evolution problem is given a variational formulation in terms of incremental fields of displacement and order parameters, with unilateral constraints on volume fractions explicitly enforced by applying the augmented Lagrangian method. As an application, size-dependent microstructures with diffuse interfaces are calculated for the cubic-to-orthorhombic transformation in a CuAlNi shape memory alloy and compared with the sharp-interface microstructures with interfacial energy effects.

Multitrace/singletrace formulations and Domain Decomposition Methods for the solution of Helmholtz transmission problems for bounded composite scatterers

NASA Astrophysics Data System (ADS)

Jerez-Hanckes, Carlos; Pérez-Arancibia, Carlos; Turc, Catalin

2017-12-01

We present Nyström discretizations of multitrace/singletrace formulations and non-overlapping Domain Decomposition Methods (DDM) for the solution of Helmholtz transmission problems for bounded composite scatterers with piecewise constant material properties. We investigate the performance of DDM with both classical Robin and optimized transmission boundary conditions. The optimized transmission boundary conditions incorporate square root Fourier multiplier approximations of Dirichlet to Neumann operators. While the multitrace/singletrace formulations as well as the DDM that use classical Robin transmission conditions are not particularly well suited for Krylov subspace iterative solutions of high-contrast high-frequency Helmholtz transmission problems, we provide ample numerical evidence that DDM with optimized transmission conditions constitute efficient computational alternatives for these type of applications. In the case of large numbers of subdomains with different material properties, we show that the associated DDM linear system can be efficiently solved via hierarchical Schur complements elimination.

Replicator equations, maximal cliques, and graph isomorphism.

PubMed

Pelillo, M

1999-11-15

We present a new energy-minimization framework for the graph isomorphism problem that is based on an equivalent maximum clique formulation. The approach is centered around a fundamental result proved by Motzkin and Straus in the mid-1960s, and recently expanded in various ways, which allows us to formulate the maximum clique problem in terms of a standard quadratic program. The attractive feature of this formulation is that a clear one-to-one correspondence exists between the solutions of the quadratic program and those in the original, combinatorial problem. To solve the program we use the so-called replicator equations--a class of straightforward continuous- and discrete-time dynamical systems developed in various branches of theoretical biology. We show how, despite their inherent inability to escape from local solutions, they nevertheless provide experimental results that are competitive with those obtained using more elaborate mean-field annealing heuristics.

Discrete-time entropy formulation of optimal and adaptive control problems

NASA Technical Reports Server (NTRS)

Tsai, Yweting A.; Casiello, Francisco A.; Loparo, Kenneth A.

1992-01-01

The discrete-time version of the entropy formulation of optimal control of problems developed by G. N. Saridis (1988) is discussed. Given a dynamical system, the uncertainty in the selection of the control is characterized by the probability distribution (density) function which maximizes the total entropy. The equivalence between the optimal control problem and the optimal entropy problem is established, and the total entropy is decomposed into a term associated with the certainty equivalent control law, the entropy of estimation, and the so-called equivocation of the active transmission of information from the controller to the estimator. This provides a useful framework for studying the certainty equivalent and adaptive control laws.

New displacement-based methods for optimal truss topology design

NASA Technical Reports Server (NTRS)

Bendsoe, Martin P.; Ben-Tal, Aharon; Haftka, Raphael T.

1991-01-01

Two alternate methods for maximum stiffness truss topology design are presented. The ground structure approach is used, and the problem is formulated in terms of displacements and bar areas. This large, nonconvex optimization problem can be solved by a simultaneous analysis and design approach. Alternatively, an equivalent, unconstrained, and convex problem in the displacements only can be formulated, and this problem can be solved by a nonsmooth, steepest descent algorithm. In both methods, the explicit solving of the equilibrium equations and the assembly of the global stiffness matrix are circumvented. A large number of examples have been studied, showing the attractive features of topology design as well as exposing interesting features of optimal topologies.

Thermo-elasto-viscoplastic analysis of problems in extension and shear

NASA Technical Reports Server (NTRS)

Riff, R.; Simitses, G. J.

1987-01-01

The problems of extension and shear behavior of structural elements made of carbon steel and subjected to large thermomechanical loads are investigated. The analysis is based on nonlinear geometric and constitutive relations, and is expressed in a rate form. The material constitutive equations are capable of reproducing all nonisothermal, elasto-viscoplastic characteristics. The results of the test problems show that: (1) the formulation can accommodate very large strains and rotations; (2) the model incorporates the simplification associated with rate-insensitive elastic response without losing the ability to model a rate-temperature dependent yield strength and plasticity; and (3) the formulation does not display oscillatory behavior in the stresses for the simple shear problem.

Boundary regularized integral equation formulation of the Helmholtz equation in acoustics.

PubMed

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y C

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals.

Boundary regularized integral equation formulation of the Helmholtz equation in acoustics

PubMed Central

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y. C.

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals. PMID:26064591

Thermal behavior of glassy phase stabilized ammonium nitrate (PSAN) thin films

DOE PAGES

Yeager, J. D.; Chellappa, R.; Singh, S.; ...

2015-06-01

Ammonium nitrate (AN) is a high interest material because of its wide usage in propellants and explosives but can be difficult to handle from a formulation standpoint. It is soluble in many common solvents and has complex phase behavior. Here, we formulate phase stabilized AN (PSAN) films in a polymer matrix and characterize thermal and phase behavior using neutron reflectometry and ellipsometry. Our PSAN films are generally stable up to 160 °C, though we observe small material loss between 60 and 100 °C, which we attribute to solvent interactions with the PSAN. Crystallization of AN from supersaturated polymer is mostmore » common at thicker regions of the film, suggesting a critical nucleation thickness for the AN which can be avoided by making very thin films.« less

Robust operative diagnosis as problem solving in a hypothesis space

NASA Technical Reports Server (NTRS)

Abbott, Kathy H.

1988-01-01

This paper describes an approach that formulates diagnosis of physical systems in operation as problem solving in a hypothesis space. Such a formulation increases robustness by: (1) incremental hypotheses construction via dynamic inputs, (2) reasoning at a higher level of abstraction to construct hypotheses, and (3) partitioning the space by grouping fault hypotheses according to the type of physical system representation and problem solving techniques used in their construction. It was implemented for a turbofan engine and hydraulic subsystem. Evaluation of the implementation on eight actual aircraft accident cases involving engine faults provided very promising results.

Sequential Service Restoration for Unbalanced Distribution Systems and Microgrids

DOE PAGES

Chen, Bo; Chen, Chen; Wang, Jianhui; ...

2017-07-07

The resilience and reliability of modern power systems are threatened by increasingly severe weather events and cyber-physical security events. An effective restoration methodology is desired to optimally integrate emerging smart grid technologies and pave the way for developing self-healing smart grids. In this paper, a sequential service restoration (SSR) framework is proposed to generate restoration solutions for distribution systems and microgrids in the event of large-scale power outages. The restoration solution contains a sequence of control actions that properly coordinate switches, distributed generators, and switchable loads to form multiple isolated microgrids. The SSR can be applied for three-phase unbalanced distributionmore » systems and microgrids and can adapt to various operation conditions. Mathematical models are introduced for three-phase unbalanced power flow, voltage regulators, transformers, and loads. Furthermore, the SSR problem is formulated as a mixed-integer linear programming model, and its effectiveness is evaluated via the modified IEEE 123 node test feeder.« less

Sequential Service Restoration for Unbalanced Distribution Systems and Microgrids

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

Chen, Bo; Chen, Chen; Wang, Jianhui

The resilience and reliability of modern power systems are threatened by increasingly severe weather events and cyber-physical security events. An effective restoration methodology is desired to optimally integrate emerging smart grid technologies and pave the way for developing self-healing smart grids. In this paper, a sequential service restoration (SSR) framework is proposed to generate restoration solutions for distribution systems and microgrids in the event of large-scale power outages. The restoration solution contains a sequence of control actions that properly coordinate switches, distributed generators, and switchable loads to form multiple isolated microgrids. The SSR can be applied for three-phase unbalanced distributionmore » systems and microgrids and can adapt to various operation conditions. Mathematical models are introduced for three-phase unbalanced power flow, voltage regulators, transformers, and loads. Furthermore, the SSR problem is formulated as a mixed-integer linear programming model, and its effectiveness is evaluated via the modified IEEE 123 node test feeder.« less

Analytical solutions for benchmarking cold regions subsurface water flow and energy transport models: one-dimensional soil thaw with conduction and advection

USGS Publications Warehouse

Kurylyk, Barret L.; McKenzie, Jeffrey M; MacQuarrie, Kerry T. B.; Voss, Clifford I.

2014-01-01

Numerous cold regions water flow and energy transport models have emerged in recent years. Dissimilarities often exist in their mathematical formulations and/or numerical solution techniques, but few analytical solutions exist for benchmarking flow and energy transport models that include pore water phase change. This paper presents a detailed derivation of the Lunardini solution, an approximate analytical solution for predicting soil thawing subject to conduction, advection, and phase change. Fifteen thawing scenarios are examined by considering differences in porosity, surface temperature, Darcy velocity, and initial temperature. The accuracy of the Lunardini solution is shown to be proportional to the Stefan number. The analytical solution results obtained for soil thawing scenarios with water flow and advection are compared to those obtained from the finite element model SUTRA. Three problems, two involving the Lunardini solution and one involving the classic Neumann solution, are recommended as standard benchmarks for future model development and testing.

Neutron die-away experiment for remote analysis of the surface of the moon and the planets, phase 3

NASA Technical Reports Server (NTRS)

Mills, W. R.; Allen, L. S.

1972-01-01

Continuing work on the two die-away measurements proposed to be made in the combined pulsed neutron experiment (CPNE) for analysis of lunar and planetary surfaces is described. This report documents research done during Phase 3. A general exposition of data analysis by the least-squares method and the related problem of the prediction of variance is given. A data analysis procedure for epithermal die-away data has been formulated. In order to facilitate the analysis, the number of independent material variables has been reduced to two: the hydrogen density and an effective oxygen density, the latter being determined uniquely from the nonhydrogeneous elemental composition. Justification for this reduction in the number of variables is based on a set of 27 new theoretical calculations. Work is described related to experimental calibration of the epithermal die-away measurement. An interim data analysis technique based solely on theoretical calculations seems to be adequate and will be used for future CPNE field tests.

FORMULATION AND STABILITY EVALUATION OF BAUHINIA VARIEGATA EXTRACT TOPICAL EMULSION.

PubMed

Mohsin, Sabeeh; Akhtar, Naveed

2017-05-01

This study presents the results for the development of water in oil (W/O) emulsion containing 2 % Bauhinia variegata (BV) extract with good antioxidant potential for cosmetic application. Different ratios of surfactant, oil and water were investigated to optimize the ratio of ingredients. It was found that emulsifier and oil4ratio were important in improving the stability of emulsion. The formulation having 2.5% Abil EM90, 12% liquid paraffin, 83.5% distilled water and 2% BV extract was found to be most stable. Stability of the formulation was further evaluated by characterizing for organoleptic, sedimentation, microscopic and rheological properties at a range of storage conditions for a period of 12 weeks. Experimental findings showed stable formulation behavior with respect to color change, liquefaction and phase separation. Centrifugation test was carried out to predict the long term stability..The rheological parameters were evaluated from Power Law and the flow index value less than 1 suggested non-Newtonian behavior of the W/O emulsion. The mean droplet size of the internal phase of freshly prepared formulation was 4.06 ? 1.99 pm that did not change significantly (p > 0.05) during the storage. The newly developed formulation exhibited promising attributes over long term storage and open opportunities for the topical delivery of natural antioxidants for cosmetic and pharmaceutical objectives.

Characterization and evaluation of self-nanoemulsifying sustained-release pellet formulation of ziprasidone with enhanced bioavailability and no food effect.

PubMed

Miao, Yanfei; Chen, Guoguang; Ren, Lili; Pingkai, Ouyang

2016-09-01

The purpose of this work was to develop self-nanomulsifying drug delivery systems (SNEDDS) in sustained-release pellets of ziprasidone to enhance the oral bioavailability and overcome the food effect of ziprasidone. Preformulation studies including screening of excipients for solubility and pseudo-ternary phase diagrams suggested the suitability of Capmul MCM as oil phase, Labrasol as surfactant, and PEG 400 as co-surfactant for preparation of self-nanoemulsifying formulations. Preliminary composition of the SNEDDS formulations were selected from the pseudo-ternary phase diagrams. The prepared ziprasidone-SNEDDS formulations were characterized for self-emulsification time, effect of pH and robustness to dilution, droplet size analysis and zeta potential. The optimized ziprasidone-SNEDDS were used to prepare ziprasidone-SNEDDS sustained-release pellets via extrusion-spheronization method. The pellets were characterized for SEM, particle size, droplet size distribution and zeta potential. In vitro drug release studies indicated the ziprsidone-SNEDDS sustained-release pellets showed sustained release profiles with 90% released within 10 h. The ziprsidone-SNEDDS sustained-release pellets were administered to fasted and fed beagle dogs and their pharmacokinetics were compared to commercial formulation of Zeldox as a control. Pharmacokinetic studies in beagle dogs showed ziprasidone with prolonged actions and enhanced bioavailability with no food effect was achieved simultaneously in ziprsidone-SNEDDS sustained-release pellets compared with Zeldox in fed state. The results indicated a sustained release with prolonged actions of schizophrenia and bipolar disorder treatment.

Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2017-12-01

The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger and Grmela, Phys. Rev. E 56(6), 6633 (1997)). In this context, the resulting models are inherently spatially strongly non-local (i.e., functional) and non-isothermal in character. They are applicable in particular to the modeling of phase transitions as well as mass and heat transport in multiphase, multicomponent solids. In the last part of the work, the strongly non-local model formulation is reduced to weakly non-local form with the help of generalized gradient approximation of the energy and entropy functionals. On this basis, the current model formulation is shown to be consistent with and reduce to a recent non-isothermal generalization (Gladkov et al., J. Non-Equilib. Thermodyn. 41(2), 131 (2016)) of the well-known phase-field models of Cahn and Hilliard (J. Chem. Phys. 28(2), 258 (1958)) for conservative dynamics and of Allen and Cahn (Acta Metall. 27(6), 1085 (1979)) for non-conservative dynamics. Finally, the current approach is applied to derive a non-isothermal generalization of a phase-field crystal model for binary alloys (see, e.g., Elder et al., Phys. Rev. B 75(6), 064107 (2007)).

Formulation Development and Toxicity Assessment of Triacetin Mediated Nanoemulsions as Novel Delivery Systems for Rapamycin

PubMed Central

Sobhani, Hamideh; Tarighi, Parastoo; Ostad, Seyed Nasser; Shafaati, Alireza; Nafissi-Varcheh, Nastaran; Aboofazeli, Reza

2015-01-01

The aim of this investigation was to design and develop nanoemulsions (NEs) as novel delivery systems for rapamycin. Phase behavior of quaternary systems composed of Traicetin (as oil), various surfactants and co-surfactants and water at different surfactant/co-surfactant weight ratios was investigated by the construction of phase diagrams. Formulations were taken from the o/w NE region of the phase diagrams, depending upon the extent of NE domain. The spontaneous emulsification method was used to prepare various formulations containing 1 mg/mL of the drug. The NEs were characterized and subjected to stability tests at various temperatures over 9-12 months. Cumulative drug release from the selected formulations was determined for a period of 48 h using a dialysis sac. The assay of rapamycin was carried out using an HPLC technique. The effect of NEs on the viability of SKBR-3 cells was evaluated by MTT assay. The integrity of Caco-2 cell monolayers was measured by Transepithelial Electrical Resistance (TEER) and the transport of rapamycin-loaded NEs across Caco-2 cell monolayers was then assessed. The uptake of NEs by SKBR-3 cells was also investigated using florescence microscopy. Maximum drug release was observed in case of 4 formulations prepared with Tween 80 and Tween 20. MTT test results revealed different toxicity of NEs for SKBR-3 cell line and TEER demonstrated that formulations containing Tween 20 caused a more considerable decrease in cell integrity in comparison with those prepared with Tween 80. The results obtained from cellular uptake experiments were in consistent with those obtained from TEER and cytotoxicity experiments. PMID:26185501

Formulation Development and Toxicity Assessment of Triacetin Mediated Nanoemulsions as Novel Delivery Systems for Rapamycin.

PubMed

Sobhani, Hamideh; Tarighi, Parastoo; Ostad, Seyed Nasser; Shafaati, Alireza; Nafissi-Varcheh, Nastaran; Aboofazeli, Reza

2015-01-01

The aim of this investigation was to design and develop nanoemulsions (NEs) as novel delivery systems for rapamycin. Phase behavior of quaternary systems composed of Traicetin (as oil), various surfactants and co-surfactants and water at different surfactant/co-surfactant weight ratios was investigated by the construction of phase diagrams. Formulations were taken from the o/w NE region of the phase diagrams, depending upon the extent of NE domain. The spontaneous emulsification method was used to prepare various formulations containing 1 mg/mL of the drug. The NEs were characterized and subjected to stability tests at various temperatures over 9-12 months. Cumulative drug release from the selected formulations was determined for a period of 48 h using a dialysis sac. The assay of rapamycin was carried out using an HPLC technique. The effect of NEs on the viability of SKBR-3 cells was evaluated by MTT assay. The integrity of Caco-2 cell monolayers was measured by Transepithelial Electrical Resistance (TEER) and the transport of rapamycin-loaded NEs across Caco-2 cell monolayers was then assessed. The uptake of NEs by SKBR-3 cells was also investigated using florescence microscopy. Maximum drug release was observed in case of 4 formulations prepared with Tween 80 and Tween 20. MTT test results revealed different toxicity of NEs for SKBR-3 cell line and TEER demonstrated that formulations containing Tween 20 caused a more considerable decrease in cell integrity in comparison with those prepared with Tween 80. The results obtained from cellular uptake experiments were in consistent with those obtained from TEER and cytotoxicity experiments.

Searching for Supersolidity in Ultracold Atomic Bose Condensates with Rashba Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Liao, Renyuan

2018-04-01

We developed a functional integral formulation for the stripe phase of spinor Bose-Einstein condensates with Rashba spin-orbit coupling. The excitation spectrum is found to exhibit double gapless band structures, identified to be two Goldstone modes resulting from spontaneously broken internal gauge symmetry and translational invariance symmetry. The sound velocities display anisotropic behavior with the lower branch vanishing in the direction perpendicular to the stripe in the x -y plane. At the transition point between the plane-wave phase and the stripe phase, physical quantities such as fluctuation correction to the ground-state energy and quantum depletion of the condensates exhibit discontinuity, characteristic of the first-order phase transition. Despite strong quantum fluctuations induced by Rashba spin-orbit coupling, we show that the supersolid phase is stable against quantum depletion. Finally, we extend our formulation to finite temperatures to account for interactions between excitations.

The application of contraction theory to an iterative formulation of electromagnetic scattering

NASA Technical Reports Server (NTRS)

Brand, J. C.; Kauffman, J. F.

1985-01-01

Contraction theory is applied to an iterative formulation of electromagnetic scattering from periodic structures and a computational method for insuring convergence is developed. A short history of spectral (or k-space) formulation is presented with an emphasis on application to periodic surfaces. To insure a convergent solution of the iterative equation, a process called the contraction corrector method is developed. Convergence properties of previously presented iterative solutions to one-dimensional problems are examined utilizing contraction theory and the general conditions for achieving a convergent solution are explored. The contraction corrector method is then applied to several scattering problems including an infinite grating of thin wires with the solution data compared to previous works.