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Sample records for complex duct simulating

  1. A Comparison of Simulation Capabilities for Ducts

    SciTech Connect

    Miller, William A.; Smith, Matt K.; Gu, Lixing; New, Joshua Ryan

    2014-11-01

    Typically, the cheapest way to install a central air conditioning system in residential buildings is to place the ductwork in the attic. Energy losses due to duct-attic interactions can be great, but current whole-house models are unable to capture the dynamic multi-mode physics of the interactions. The building industry is notoriously fragmented and unable to devote adequate research resources to solve this problem. Builders are going to continue to put ducts in the attic because floor space is too expensive to closet them within living space, and there are both construction and aesthetic issues with other approaches such as dropped ceilings. Thus, there is a substantial need to publicly document duct losses and the cost of energy used by ducts in attics so that practitioners, builders, homeowners and state and federal code officials can make informed decisions leading to changes in new construction and additional retrofit actions. Thus, the goal of this study is to conduct a comparison of AtticSim and EnergyPlus simulation algorithms to identify specific features for potential inclusion in EnergyPlus that would allow higher-fidelity modeling of HVAC operation and duct transport of conditioned air. It is anticipated that the resulting analysis from these simulation tools will inform energy decisions relating to the role of ducts in future building energy codes and standards.

  2. Flow Simulation of Supersonic Inlet with Bypass Annular Duct

    NASA Technical Reports Server (NTRS)

    Kim, HyoungJin; Kumano, Takayasu; Liou, Meng-Sing; Povinelli, Louis A.; Conners, Timothy R.

    2011-01-01

    A relaxed isentropic compression supersonic inlet is a new concept that produces smaller cowl drag than a conventional inlet, but incurs lower total pressure recovery and increased flow distortion in the (radially) outer flowpath. A supersonic inlet comprising a bypass annulus to the relaxed isentropic compression inlet dumps out airflow of low quality through the bypass duct. A reliable computational fluid dynamics solution can provide considerable useful information to ascertain quantitatively relative merits of the concept, and further provide a basis for optimizing the design. For a fast and reliable performance evaluation of the inlet performance, an equivalent axisymmetric model whose area changes accounts for geometric and physical (blockage) effects resulting from the original complex three-dimensional configuration is proposed. In addition, full three-dimensional calculations are conducted for studying flow phenomena and verifying the validity of the equivalent model. The inlet-engine coupling is carried out by embedding numerical propulsion system simulation engine data into the flow solver for interactive boundary conditions at the engine fan face and exhaust plane. It was found that the blockage resulting from complex three-dimensional geometries in the bypass duct causes significant degradation of inlet performance by pushing the terminal normal shock upstream.

  3. Numerical simulation of laminar flow in a curved duct

    SciTech Connect

    Lopez, A.R.; Oberkampf, W.L.

    1995-01-01

    This paper describes numerical simulations that were performed to study laminar flow through a square duct with a 900 bend. The purpose of this work was two fold. First, an improved understanding was desired of the flow physics involved in the generation of secondary vortical flows in three-dimensions. Second, adaptive gridding techniques for structured grids in three- dimensions were investigated for the purpose of determining their utility in low Reynolds number, incompressible flows. It was also of interest to validate the commercial computer code CFD-ACE. Velocity predictions for both non-adaptive and adaptive grids are compared with experimental data. Flow visualization was used to examine the characteristics of the flow though the curved duct in order to better understand the viscous flow physics of this problem. Generally, moderate agreement with the experimental data was found but shortcomings in the experiment were demonstrated. The adaptive grids did not produce the same level of accuracy as the non-adaptive grid with a factor of four more grid points.

  4. Application of computational fluid dynamics to complex inlet ducts

    NASA Astrophysics Data System (ADS)

    Towne, C. E.; Schum, E. F.

    A three-dimensional parabolic Navier-Stokes code, PEPSIG, was used to analyze the flow in the subsonic diffuser section of a typical modern inlet design. The effect of curvature of the diffuser centerline and transitioning cross sections was studied to determine the primary cause of flow distortion in the duct. Total pressure values at the engine compressor face are reported.

  5. Whistler propagation in ionospheric density ducts: Simulations and DEMETER observations

    NASA Astrophysics Data System (ADS)

    Woodroffe, J. R.; Streltsov, A. V.; Vartanyan, A.; Milikh, G. M.

    2013-11-01

    On 16 October 2009, the Detection of Electromagnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite observed VLF whistler wave activity coincident with an ionospheric heating experiment conducted at HAARP. At the same time, density measurements by DEMETER indicate the presence of multiple field-aligned enhancements. Using an electron MHD model, we show that the distribution of VLF power observed by DEMETER is consistent with the propagation of whistlers from the heating region inside the observed density enhancements. We also discuss other interesting features of this event, including coupling of the lower hybrid and whistler modes, whistler trapping in artificial density ducts, and the interference of whistlers waves from two adjacent ducts.

  6. Application of TITAN for Simulation of Particle Streaming in a Duct

    NASA Astrophysics Data System (ADS)

    Royston, Katherine; Haghighat, Alireza; Yi, Ce

    2016-02-01

    The TITAN hybrid deterministic transport code is applied to the simulation of particle streaming in a nuclear power plant duct. A simple model is used consisting of a concrete duct emerging from the pressure vessel with an isotropic surface source with a U-235 fission spectrum located at the pressure vessel end. Multiple methods of simulating the duct using the TITAN code are considered to demonstrate the flexibility of the code and the advantages of TITAN's algorithms. These methods include a discrete ordinates (SN) calculation, a characteristics method calculation, and the use of a fictitious quadrature set with simplified ray-tracing. The TITAN code's results are compared with MCNP5 solutions. While all TITAN solutions are obtained in a shorter computation time than the MCNP5 solution, the TITAN solution with the fictitious quadrature set shows the largest speedup.

  7. Male penile propulsion into spiraled spermathecal ducts of female chrysomelid beetles: A numerical simulation approach.

    PubMed

    Filippov, Alexander; Kovalev, Alexander; Matsumura, Yoko; Gorb, Stanislav N

    2015-11-01

    Genital diversification in animals is an interesting evolutionary phenomenon. Sexual selection is the main driving force behind the diversification. However, evolutionary mechanisms that have established and maintained variations in genitalia shape parameters observed in related species are not well understood. Here, for the first time, we used numerical simulations to test the hypothesis that variations in female spermathecal duct shapes among related beetle species mechanically interfere with penile propulsion in varying ways. Our numerical simulations showed that high curvature of the spiraled spermathecal ducts of the female have effects with a threshold-based interaction on male penile insertion. The relative size of spirals observed in the beetle, Cassida rubiginosa, studied here is not small enough to interfere with penile propulsion. But the model revealed that propulsion is impeded by the presence of reverse turns in spermathecal ducts. This type of morphology leads to an increase in the velocity of the propulsion but also to an increase in the propulsion energy cost for males. Our results showed that quantitative differences in spermathecal duct shape can mediate qualitative differences in penile motion. This explains, in part, the mechanism behind origin and maintenance of genital divergence among closely related species in general.

  8. Direct numerical simulation of turbulent flow in a rotating square duct

    SciTech Connect

    Dai, Yi-Jun; Huang, Wei-Xi Xu, Chun-Xiao; Cui, Gui-Xiang

    2015-06-15

    A fully developed turbulent flow in a rotating straight square duct is simulated by direct numerical simulations at Re{sub τ} = 300 and 0 ≤ Ro{sub τ} ≤ 40. The rotating axis is parallel to two opposite walls of the duct and normal to the main flow. Variations of the turbulence statistics with the rotation rate are presented, and a comparison with the rotating turbulent channel flow is discussed. Rich secondary flow patterns in the cross section are observed by varying the rotation rate. The appearance of a pair of additional vortices above the pressure wall is carefully examined, and the underlying mechanism is explained according to the budget analysis of the mean momentum equations.

  9. Numerical Simulation of Noise from Supersonic Jets Passing Through a Rigid Duct

    NASA Technical Reports Server (NTRS)

    Kandula, Max

    2012-01-01

    The generation, propagation and radiation of sound from a perfectly expanded Mach 2.5 cold supersonic jet flowing through an enclosed rigid-walled duct with an upstream J-deflector have been numerically simulated with the aid of OVERFLOW Navier-Stokes CFD code. A one-equation turbulence model is considered. While the near-field sound sources are computed by the CFD code, the far-field sound is evaluated by Kirchhoff surface integral formulation. Predictions of the farfield directivity of the OASPL (Overall Sound Pressure Level) agree satisfactorily with the experimental data previously reported by the author. Calculations also suggest that there is significant entrainment of air into the duct, with the mass flow rate of entrained air being about three times the jet exit mass flow rate.

  10. Measurement of flowfield in a simulated solid-propellant ducted rocket combustor using laser Doppler velocimetry

    SciTech Connect

    Hsieh, W.H.; Yang, V.; Chuang, C.L.; Yang, A.S.; Cherng, D.L.

    1989-01-01

    A two-component LDV system was used to obtain detailed flow velocity and turbulence measurements in order to study the flow characteristics in a simulated solid-propellant ducted rocket combustor. The vortical structures near the dome region, the size of the recirculation zone, and the location of the reattachment point are all shown to be strongly affected by the jet momentum of both ram air and fuel streams. It is found that the turbulence intensity is anisotropic throughout the front portion of the simulated conbustor, and that the measured Reynolds stress conmponent distribution is well correlated with the local mean velocity vector distribution. 25 refs.

  11. Study on numerical simulation of flowfield in afterburner for ducted rocket

    NASA Astrophysics Data System (ADS)

    Ding, Xiaoyu; Jin, Xing; Zhang, Peng

    2015-03-01

    Ducted rocket has been widely concerned on account of its high specific impulse, combustion stability and convenient maintenance which mixes the exhaust from a fuel gas generator with air from air inlet, and burns to produce thrust. It is necessary to establish two-dimensional or three-dimensional numerical models based on computational fluid dynamics to study on the flowfield in afterburner which is the key of ducted rocket because of expensive experiments, which is aimed at providing theoretical foundation for ducted rocket's development. In this paper, the gas-phase turbulent combustion process in afterburner with dual inlet three-dimensional mode was simulated numerically by solving Favre-averaged compressible turbulent N-S equations, the renormalization group (RNG) k-ɛ turbulence model was applied to simulate the turbulent flow, and Eddy-Dissipation Model (EDM) was applied to simulate gas combustion. Through simulation, situation analysis of flowfield in afterburner was done, and the influence of mixing combustion on afterburner was studied by taking air inlet angles and air-fuel ratio into account respectively. The results indicate that the distribution of temperature in afterburner is nonuniform, the backflow and axial swirl produced by gas mixing have an important influence on afterburner combustion. As air inlet angle is increased, the intensity of gas mixing is enhanced which is beneficial for afterburner combustion. That increasing air-fuel ratio is able to strength contact of oxygen with fuel gas, so that more fuel gas is consumed in the same location which is more beneficial for afterburner combustion.

  12. Far-field noise and internal modes from a ducted propeller at simulated aircraft takeoff conditions

    NASA Astrophysics Data System (ADS)

    Woodward, Richard P.; Bock, Lawrence A.; Heidelberg, Laurence J.; Hall, David G.

    The ducted propeller offers structural and acoustic benefits typical of conventional turbofan engines while retaining much of the aeroacoustic benefits of the unducted propeller. A model Advanced Ducted Propeller (ADP) was tested in the NASA Lewis Low-Speed Anechoic Wind Tunnel at a simulated takeoff velocity of Mach 0.2. The ADP model was designed and manufactured by the Pratt and Whitney Division of United Technologies. The 16-blade rotor ADP was tested with 22- and 40-vane stators to achieve cut-on and cut-off criterion with respect to propagation of the fundamental rotor-stator interaction tone. Additional test parameters included three inlet lengths, three nozzle sizes, two spinner configurations, and two rotor rub strip configurations. The model was tested over a range of rotor blade setting angles and propeller axis angles-of-attack. Acoustic data were taken with a sideline translating microphone probe and with a unique inlet microphone probe which identified inlet rotating acoustic modes. The beneficial acoustic effects of cut-off were clearly demonstrated. A 5 dB fundamental tone reduction was associated with the long inlet and 40-vane sector, which may relate to inlet duct geometry. The fundamental tone level was essentially unaffected by propeller axis angle-of-attack at rotor speeds of at least 96 percent design.

  13. Far-field noise and internal modes from a ducted propeller at simulated aircraft takeoff conditions

    NASA Technical Reports Server (NTRS)

    Woodward, Richard P.; Bock, Lawrence A.; Heidelberg, Laurence J.; Hall, David G.

    1992-01-01

    The ducted propeller offers structural and acoustic benefits typical of conventional turbofan engines while retaining much of the aeroacoustic benefits of the unducted propeller. A model Advanced Ducted Propeller (ADP) was tested in the NASA Lewis Low-Speed Anechoic Wind Tunnel at a simulated takeoff velocity of Mach 0.2. The ADP model was designed and manufactured by the Pratt and Whitney Division of United Technologies. The 16-blade rotor ADP was tested with 22- and 40-vane stators to achieve cut-on and cut-off criterion with respect to propagation of the fundamental rotor-stator interaction tone. Additional test parameters included three inlet lengths, three nozzle sizes, two spinner configurations, and two rotor rub strip configurations. The model was tested over a range of rotor blade setting angles and propeller axis angles-of-attack. Acoustic data were taken with a sideline translating microphone probe and with a unique inlet microphone probe which identified inlet rotating acoustic modes. The beneficial acoustic effects of cut-off were clearly demonstrated. A 5 dB fundamental tone reduction was associated with the long inlet and 40-vane sector, which may relate to inlet duct geometry. The fundamental tone level was essentially unaffected by propeller axis angle-of-attack at rotor speeds of at least 96 percent design.

  14. Aerodynamic analysis and simulation of a twin-tail tilt-duct unmanned aerial vehicle

    NASA Astrophysics Data System (ADS)

    Abdollahi, Cyrus

    The tilt-duct vertical takeoff and landing (VTOL) concept has been around since the early 1960s; however, to date the design has never passed the research phase and development phase. Nearly 50 years later, American Dynamics Flight Systems (ADFS) is developing the AD-150, a 2,250lb weight class unmanned aerial vehicle (UAV) configured with rotating ducts on each wingtip. Unlike its predecessor, the Doak VZ-4, the AD-150 features a V tail and wing sweep -- both of which affect the aerodynamic behavior of the aircraft. Because no aircraft of this type has been built and tested, vital aerodynamic research was conducted on the bare airframe behavior (without wingtip ducts). Two weeks of static and dynamic testing were performed on a 3/10th scale model at the University of Maryland's 7' x 10' low speed wind tunnel to facilitate the construction of a nonlinear flight simulator. A total of 70 dynamic tests were performed to obtain damping parameter estimates using the ordinary least squares methodology. Validation, based on agreement between static and dynamic estimates of the pitch and yaw stiffness terms, showed an average percent error of 14.0% and 39.6%, respectively. These inconsistencies were attributed to: large dynamic displacements not encountered during static testing, regressor collinearity, and, while not conclusively proven, differences in static and dynamic boundary layer development. Overall, the damping estimates were consistent and repeatable, with low scatter over a 95% confidence interval. Finally, a basic open loop simulation was executed to demonstrate the instability of the aircraft. As a result, it is recommended that future work be performed to determine trim points and linear models for controls development.

  15. Computer-Simulation Surrogates for Optimization: Application to Trapezoidal Ducts and Axisymmetric Bodies

    NASA Technical Reports Server (NTRS)

    Otto, John C.; Paraschivoiu, Marius; Yesilyurt, Serhat; Patera, Anthony T.

    1995-01-01

    Engineering design and optimization efforts using computational systems rapidly become resource intensive. The goal of the surrogate-based approach is to perform a complete optimization with limited resources. In this paper we present a Bayesian-validated approach that informs the designer as to how well the surrogate performs; in particular, our surrogate framework provides precise (albeit probabilistic) bounds on the errors incurred in the surrogate-for-simulation substitution. The theory and algorithms of our computer{simulation surrogate framework are first described. The utility of the framework is then demonstrated through two illustrative examples: maximization of the flowrate of fully developed ow in trapezoidal ducts; and design of an axisymmetric body that achieves a target Stokes drag.

  16. Complex malformations of the urogenital tract in a female dog: Gartner duct cyst, ipsilateral renal agenesis, and ipsilateral hydrometra.

    PubMed

    Fujita, Atsushi; Tsuboi, Masaya; Uchida, Kazuyuki; Nishimura, Ryohei

    2016-05-01

    A 10-month-old female toy poodle was referred to the University of Tokyo Veterinary Medical Center with a urogenital anomaly found during sterilization. An exploratory laparotomy revealed a cyst adhering to the cervix and a unilateral renal agenesis. Histopathology and immunohistochemical analysis of the cyst was consistent with remnants of the Wolffian duct or a Gartner duct cyst. This is a rare case of a canine Gartner duct cyst with renal agenesis and uterine anomaly. We discuss the similarity of this case to that of humans and introduce a classification in the literature for these complex urogenital malformations for further clinical research into the precise diagnosis and appropriate surgical planning. PMID:27506089

  17. Far-field noise and internal modes from a ducted propeller at simulated aircraft takeoff conditions

    NASA Technical Reports Server (NTRS)

    Woodward, Richard P.; Bock, Lawrence A.; Heidelberg, Laurence J.; Hall, David G.

    1992-01-01

    The ducted propeller offers structural and acoustic benefits typical of conventional turbofan engines while retaining much of the aeroacoustic benefits of the unducted propeller. A model Advanced Ducted Propeller (ADP) was tested in the NASA Lewis Low-Speed Anechoic Wind Tunnel at a simulated takeoff velocity of Mach 0.2. The ADP model was designed and manufactured by the Pratt and Whitney Division of United Technologies. The 16-blade rotor ADP was tested with 22- and 40-vane stators to achieve cut-on and cut-off criterion with respect to propagation of the fundamental rotor-stator interaction tone. Additional test parameters included three inlet lengths, three nozzle sizes, two spinner configurations, and two rotor rub strip configurations. The model was tested over a range of rotor blade setting angles and propeller axis angles-of-attack. Acoustic data were taken with a sideline translating microphone probe and with a unique inlet microphone probe which identified inlet rotating acoustic modes. The beneficial acoustic effects of cut-off were clearly demonstrated. A 5 dB fundamental tone reduction was associated with the long inlet and 40-vane sector, which may relate to inlet propeller axis angle-of-attack at rotor speeds of at least 96 percent design.

  18. PIV velocity measurements in the wake of an obstruction simulating a Taylor bubble in a duct

    SciTech Connect

    Vassallo, P.; Kumar, R.

    1997-06-01

    Mean velocity measurements in the wake of an obstruction simulating a Taylor bubble (or slug) have been obtained using Particle Image Velocimetry (PIV) in a duct. Two flow rates were established: one represented the flow behind a large gas slug rising in quiescent fluid and the other represented an idealized slug rising with a higher relative velocity, as typically found in higher void fraction churn-turbulent flow. The results indicate that, in a reference frame fixed to the slug, the flow around the sides of the slug behaves like wall bounded jets which eventually merge downstream of the slug. The ratio of wake volume to slug volume is nearly the same for both Reynolds numbers tested (i.e., 3.0 at Re = 3,628 and 2.9 at Re = 7.257) although the measurements suggest that the wake size decreases somewhat as the Reynolds number is increased.

  19. Simulations of acoustic waves in channels and phonation in glottal ducts

    NASA Astrophysics Data System (ADS)

    Yang, Jubiao; Krane, Michael; Zhang, Lucy

    2014-11-01

    Numerical simulations of acoustic wave propagation were performed by solving compressible Navier-Stokes equations using finite element method. To avoid numerical contamination of acoustic field induced by non-physical reflections at computational boundaries, a Perfectly Matched Layer (PML) scheme was implemented to attenuate the acoustic waves and their reflections near these boundaries. The acoustic simulation was further combined with the simulation of interaction of vocal fold vibration and glottal flow, using our fully-coupled Immersed Finite Element Method (IFEM) approach, to study phonation in the glottal channel. In order to decouple the aeroelastic and aeroacoustic aspects of phonation, the airway duct used has a uniform cross section with PML properly applied. The dynamics of phonation were then studied by computing the terms of the equations of motion for a control volume comprised of the fluid in the vicinity of the vocal folds. It is shown that the principal dynamics is comprised of the near cancellation of the pressure force driving the flow through the glottis, and the aerodynamic drag on the vocal folds. Aeroacoustic source strengths are also presented, estimated from integral quantities computed in the source region, as well as from the radiated acoustic field.

  20. Effects of friction and heat conduction on sound propagation in ducts. [analyzing complex aerodynamic noise problems

    NASA Technical Reports Server (NTRS)

    Huerre, P.; Karamcheti, K.

    1976-01-01

    The theory of sound propagation is examined in a viscous, heat-conducting fluid, initially at rest and in a uniform state, and contained in a rigid, impermeable duct with isothermal walls. Topics covered include: (1) theoretical formulation of the small amplitude fluctuating motions of a viscous, heat-conducting and compressible fluid; (2) sound propagation in a two dimensional duct; and (3) perturbation study of the inplane modes.

  1. The propagation and attenuation of complex acoustic waves in treated circular and annular ducts

    NASA Technical Reports Server (NTRS)

    Reethof, G.

    1976-01-01

    The propagation of plane waves and higher order acoustic modes in a circular multisectioned duct was studied. A unique source array consisting of two concentric rings of sources, providing phase and amplitude control in the radial, as well as circumferential direction, was developed to generate plane waves and both spinning and nonspinning higher order modes. Measurements of attenuation and radial mode shapes were taken with finite length liners between the hard wall sections of an anechoically terminated duct. Materials tested as liners included a glass fiber material and both sintered fiber metals and perforated sheet metals with a honeycomb backing. The fundamental acoustic properties of these materials were studied with emphasis on the attenuation of sound by the liners and the determination of local versus extended reaction behavior for the boundary condition. The experimental results were compared with a mathematical model for the multisectioned duct.

  2. Numerical simulation of 3D viscoelastic developing flow and heat transfer in a rectangular duct with a nonlinear constitutive equation

    NASA Astrophysics Data System (ADS)

    Jalali, A.; Hulsen, M. A.; Norouzi, M.; Kayhani, M. H.

    2013-05-01

    This paper presents a numerical simulation of the developing flow and heat transfer of a viscoelastic fluid in a rectangular duct. In fully developed flow of a viscoelastic fluid in a non-circular duct, secondary flows normal to the flow direction are expected to enhance the rate of heat and mass transfer. On the other hand, properties such as viscosity, thermal conductivity, specific heat and relaxation time of the fluid are a function of temperature. Therefore, we developed a numerical model which solves the flow and energy equation simultaneously in three dimensional form. We included several equations of state to model the temperature dependency of the fluid parameters. The current paper is one of the first studies which present a 3D numerical simulation for developing viscoelastic duct flow that takes the dependency of flow parameters to the temperature into account. The rheological constitutive equation of the fluid is a common form of the Phan-Thien Tanner (PTT) model, which embodies both influences of elasticity and shear thinning in viscosity. The governing equations are discretized using the FTCS finite difference method on a staggered mesh. The marker-and-cell method is also employed to allocate the parameters on the staggered mesh, and static pressure is calculated using the artificial compressibility approach during the numerical simulation. In addition to report the results of flow and heat transfer in the developing region, the effect of some dimensionless parameters on the flow and heat transfer has also been investigated. The results are in a good agreement with the results reported by others in this field.

  3. A finite element simulation of sound attenuation in a finite duct with a peripherally variable liner

    NASA Technical Reports Server (NTRS)

    Watson, W. R.

    1977-01-01

    Using multimodal analysis, a variational finite element method is presented for analyzing sound attenuation in a three-dimensional finite duct with a peripherally variable liner in the absence of flow. A rectangular element, with cubic shaped functions, is employed. Once a small portion of a peripheral liner is removed, the attenuation rate near the frequency where maximum attenuation occurs drops significantly. The positioning of the liner segments affects the attenuation characteristics of the liner. Effects of the duct termination are important in the low frequency ranges. The main effect of peripheral variation of the liner is a broadening of the attenuation characteristics in the midfrequency range. Because of matrix size limitations of the presently available computer program, the eigenvalue equations should be solved out of core in order to handle realistic sources.

  4. Numerical Simulation of Flow Through Equilateral Triangular Duct Under Constant Wall Heat Flux Boundary Condition

    NASA Astrophysics Data System (ADS)

    Kumar, Rajneesh; Kumar, Anoop; Goel, Varun

    2016-06-01

    The force convective heat transfer in an equilateral triangular duct of different wall heat flux configurations was analysed for the laminar hydro-dynamically developed and thermally developing flow by the use of finite volume method. Unstructured meshing was generated by multi-block technique and set of governing equations were discretized using second-order accurate up-wind scheme and numerically solved by SIMPLE Algorithm. For ensuring accuracy, grid independence study was also done. Numerical methodology was verified by comparing results with previous work and predicted results showed good agreement with them (within error of ±5 %). The different combinations of constant heat flux boundary condition were analysed and their effect on heat transfer and fluid flow for different Reynolds number was also studied. The results of different combinations were compared with the case of force convective heat transfer in the equilateral triangular duct with constant heat flux on all three walls.

  5. Numerical simulation of flow in a circular duct fitted with air-jet vortex generators

    NASA Astrophysics Data System (ADS)

    Küpper, Christoph; Henry, Frank S.

    2002-04-01

    Most of the fundamental studies of the use of air-jet vortex generators (AJVGs) have concentrated on their potential ability to inhibit boundary layer separation on aerofoils. However, AJVGs may be of use in controlling or enhancing certain features of internal duct flows. For example, they may be of use in controlling the boundary layer at the entrance to engine air intakes, or as a means of increasing mixing and heat transfer. The objective of this paper is to analyse the flow field in the proximity of an air-jet vortex generator array in a duct by using two local numerical models, i.e. a simple flat plate model and a more geometrically faithful sector model. The sector model mirrors the circular nature of the duct's cross-section and the centre line conditions on the upper boundary. The flow was assumed fully turbulent and was solved using the finite volume, Navier-Stokes Code CFX 4 (CFDS, AEA Technology, Harwell) on a non-orthogonal, body-fitted, grid using the k- turbulence model and standard wall functions. Streamwise, vertical and cross-stream velocity profiles, circulation and peak vorticity decay, peak vorticity paths in cross-stream and streamwise direction, cross-stream vorticity profiles and cross-stream wall shear stress distributions were predicted. Negligible difference in results was observed between the flat plate and the sector model, since the produced vortices were small relative to the duct diameter and close to the surface. The flow field was most enhanced, i.e. maximum thinning of the boundary layer, with a configuration of 30° pitch and 75° skew angle. No significant difference in results could be observed between co- and counter-rotating vortex arrays. Copyright

  6. Lensing duct

    DOEpatents

    Beach, Raymond J. , Benett

    1994-01-01

    A lensing duct to condense (intensify) light using a combination of front surface lensing and reflective waveguiding. The duct tapers down from a wide input side to a narrow output side, with the input side being lens-shaped and coated with an antireflective coating for more efficient transmission into the duct. The four side surfaces are uncoated, preventing light from escaping by total internal reflection as it travels along the duct (reflective waveguiding). The duct has various applications for intensifying light, such as in the coupling of diode array pump light to solid state lasing materials, and can be fabricated from inexpensive glass and plastic.

  7. Simulation Analysis of Air Flow and Turbulence Statistics in a Rib Grit Roughened Duct

    PubMed Central

    Vogiatzis, I. I.; Denizopoulou, A. C.; Ntinas, G. K.; Fragos, V. P.

    2014-01-01

    The implementation of variable artificial roughness patterns on a surface is an effective technique to enhance the rate of heat transfer to fluid flow in the ducts of solar air heaters. Different geometries of roughness elements investigated have demonstrated the pivotal role that vortices and associated turbulence have on the heat transfer characteristics of solar air heater ducts by increasing the convective heat transfer coefficient. In this paper we investigate the two-dimensional, turbulent, unsteady flow around rectangular ribs of variable aspect ratios by directly solving the transient Navier-Stokes and continuity equations using the finite elements method. Flow characteristics and several aspects of turbulent flow are presented and discussed including velocity components and statistics of turbulence. The results reveal the impact that different rib lengths have on the computed mean quantities and turbulence statistics of the flow. The computed turbulence parameters show a clear tendency to diminish downstream with increasing rib length. Furthermore, the applied numerical method is capable of capturing small-scale flow structures resulting from the direct solution of Navier-Stokes and continuity equations. PMID:25057511

  8. Simulation analysis of air flow and turbulence statistics in a rib grit roughened duct.

    PubMed

    Vogiatzis, I I; Denizopoulou, A C; Ntinas, G K; Fragos, V P

    2014-01-01

    The implementation of variable artificial roughness patterns on a surface is an effective technique to enhance the rate of heat transfer to fluid flow in the ducts of solar air heaters. Different geometries of roughness elements investigated have demonstrated the pivotal role that vortices and associated turbulence have on the heat transfer characteristics of solar air heater ducts by increasing the convective heat transfer coefficient. In this paper we investigate the two-dimensional, turbulent, unsteady flow around rectangular ribs of variable aspect ratios by directly solving the transient Navier-Stokes and continuity equations using the finite elements method. Flow characteristics and several aspects of turbulent flow are presented and discussed including velocity components and statistics of turbulence. The results reveal the impact that different rib lengths have on the computed mean quantities and turbulence statistics of the flow. The computed turbulence parameters show a clear tendency to diminish downstream with increasing rib length. Furthermore, the applied numerical method is capable of capturing small-scale flow structures resulting from the direct solution of Navier-Stokes and continuity equations.

  9. Direct numerical simulations of magnetic field effects on turbulent flow in a square duct

    NASA Astrophysics Data System (ADS)

    Chaudhary, R.; Vanka, S. P.; Thomas, B. G.

    2010-07-01

    Magnetic fields are crucial in controlling flows in various physical processes of industrial significance. One such process is the continuous casting of steel, where different magnetic field configurations are used to control the turbulent flow of steel in the mold in order to minimize defects in the cast steel. The present study has been undertaken to understand the effects of a magnetic field on mean velocities and turbulence parameters in turbulent molten metal flow through a square duct. The coupled Navier-Stokes magnetohydrodynamic equations have been solved using a three-dimensional fractional-step numerical procedure. The Reynolds number was kept low in order to resolve all the scales in the flow without using a subgrid scale turbulence model. Computations were performed with three different grid resolutions, the finest grid having 8.4×106 cells. Because liquid metals have low magnetic Reynolds number, the induced magnetic field has been considered negligible and the electric potential method for magnetic field-flow coupling has been implemented. After validation of the computer code, computations of turbulent flow in a square duct with different Hartmann numbers were performed until complete laminarization of the flow. The time-dependent and time-averaged nature of the flow has been examined through distribution of mean velocities, turbulent fluctuations, vorticity, and turbulent kinetic energy budgets.

  10. Identification of aero-acoustic scattering matrices from large eddy simulation: Application to whistling orifices in duct

    NASA Astrophysics Data System (ADS)

    Lacombe, R.; Föller, S.; Jasor, G.; Polifke, W.; Aurégan, Y.; Moussou, P.

    2013-09-01

    The identification of the aero-acoustic scattering matrix of an orifice in a duct is achieved by computational fluid dynamics. The methodology first consists in performing a large eddy simulation of a turbulent compressible flow, with superimposed broadband acoustic excitations. After extracting time series of acoustic data with a specific filter, system identification techniques are applied. They allow us to determine the components of the acoustic scattering matrix of the orifice. Following the same procedure, a previous paper determines the scattering features of a sudden area expansion. In the present paper, the focus is on whistling orifices. The whistling ability of the tested orifice is evaluated by deriving the acoustic power balance from the scattering matrix. Comparisons with experiments at two different Mach numbers show a good agreement. The potential whistling frequency range is well predicted in terms of frequency and amplitude.

  11. Multiscale simulation of complex coacervates

    NASA Astrophysics Data System (ADS)

    Hoffmann, Kyle Q.; Whitmer, Jonathan K.; Qin, Jian; Priftis, Dimitris; Perry, Sarah; Leon, Lorraine; Kade, Matthew; Tirrell, Matthew; de Pablo, Juan J.

    2014-03-01

    Aqueous solutions of polymers having opposite charge can separate into a coacervate phase and a supernatant water phase.The conditions leading to such behavior, including chain lenght, ionization fraction, ionic strength, molecular structure, and temperature are poorly understood. Though thermodynamic models of this phase separation exist, they offer little descriptive power for the mechanism of complex coacervation, and the internal structure of the coacervate and precipitate phases. Here we use atomic-level and coarse-grained representations of polypeptides to study features of the phase diagram, scaling relations, and microstructure of complex coacervates, comparing results to experimental data and model calculations.

  12. Simulated Impact of Roof Solar Absorptance, Attic, and DuctInsulation, and Climate on Cooling and Heating Energy Use inSingle-Family Resi dential Buildings

    SciTech Connect

    Akbari, H.; Konopacki, S.

    1998-10-26

    This report summarizes a comparative analysis of the impact of roof surface solar absorptance, attic, and duct insulation on simulated residential annual cooling and heating energy use in sixteen sunbelt climates. These locations cover a wide range of climates where cool roofs are expected to save energy and money, and are areas with high growth rates in new residential construction. The residences are single-story, single-family of new construction with either a gas furnace or an electric heat pump, and with ducts in the attic OT conditioned zone. The objective is to demonstrate that a residence with a cool roof could utilize a lower level of attic insulation than one with a dark roof with a zero net change in the annual energy bill. Annual energy use is simulated with DOE-2. lE, which was adapted with a validated residential duct-attic function, for dark and cool roofs and eleven attic insulation R-values ranging from 1 through 60. Analysis of the simulated energy savings from the light-colored roofs show that the savings can be transformed into an equivalent reduction in the level of attic insulation. Reductions in R-value are observed in varying degrees for residences with both gas and electric heat, all duct configurations, and all climates. In some cooling dominated climates there are cases where a cool roof could be implemented without attic insulation.

  13. Hydrogen peroxide vapour for decontaminating air-conditioning ducts and rooms of an emergency complex in northern India: time to move on.

    PubMed

    Taneja, N; Biswal, M; Kumar, A; Edwin, A; Sunita, T; Emmanuel, R; Gupta, A K; Sharma, M

    2011-07-01

    Overcrowding and patient overload in emergency services areas often mean that inadequate attention is paid to thorough cleaning, disinfection of rooms and air-conditioning ducts, which would require closing the area concerned. Over a period of time, this leads to accumulation of lint, fibre, dust and fungal growth. This study assessed the effectiveness of hydrogen peroxide fog to decontaminate the air-conditioning ducts as well as for room disinfection without having to close down the area. The Postgraduate Institute of Medical Education and Research emergency complex, Chandigarh, is distributed over three floors housing nine air-handling units (AHUs) and seven wards. The work was carried out over a period of seven days and involved cleaning of air-conditioning ducts and wards, cleaning and disinfection of fittings and furniture, vacuuming and fogging of AHU, ducts and room air. Fogging was done with 20% Ecoshield fog, a complex formulation of stabilised hydrogen peroxide 11% w/v with 0.015% w/v silver nitrate. Pre- and post-fogging samples were taken for microbiological culture, and air samples were also collected. Hydrogen peroxide fogging was highly effective for disinfection of room air, furniture and other articles. It decontaminated the air-conditioning ducts effectively, was rapid and cheaper than formalin, and no adverse effects were noted. There was minimum disturbance to the patients and the treated areas were ready to be populated again after 5-6h. Hydrogen peroxide has the advantage of being safer, less irritating, and has shorter cycle times compared with formalin fumigation which is more commonly practised in India.

  14. Hydrogen peroxide vapour for decontaminating air-conditioning ducts and rooms of an emergency complex in northern India: time to move on.

    PubMed

    Taneja, N; Biswal, M; Kumar, A; Edwin, A; Sunita, T; Emmanuel, R; Gupta, A K; Sharma, M

    2011-07-01

    Overcrowding and patient overload in emergency services areas often mean that inadequate attention is paid to thorough cleaning, disinfection of rooms and air-conditioning ducts, which would require closing the area concerned. Over a period of time, this leads to accumulation of lint, fibre, dust and fungal growth. This study assessed the effectiveness of hydrogen peroxide fog to decontaminate the air-conditioning ducts as well as for room disinfection without having to close down the area. The Postgraduate Institute of Medical Education and Research emergency complex, Chandigarh, is distributed over three floors housing nine air-handling units (AHUs) and seven wards. The work was carried out over a period of seven days and involved cleaning of air-conditioning ducts and wards, cleaning and disinfection of fittings and furniture, vacuuming and fogging of AHU, ducts and room air. Fogging was done with 20% Ecoshield fog, a complex formulation of stabilised hydrogen peroxide 11% w/v with 0.015% w/v silver nitrate. Pre- and post-fogging samples were taken for microbiological culture, and air samples were also collected. Hydrogen peroxide fogging was highly effective for disinfection of room air, furniture and other articles. It decontaminated the air-conditioning ducts effectively, was rapid and cheaper than formalin, and no adverse effects were noted. There was minimum disturbance to the patients and the treated areas were ready to be populated again after 5-6h. Hydrogen peroxide has the advantage of being safer, less irritating, and has shorter cycle times compared with formalin fumigation which is more commonly practised in India. PMID:21507520

  15. Duct closure

    DOEpatents

    Vowell, Kennison L.

    1987-01-01

    A closure for an inclined duct having an open upper end and defining downwardly extending passageway. The closure includes a cap for sealing engagement with the open upper end of the duct. Associated with the cap are an array of vertically aligned plug members, each of which has a cross-sectional area substantially conforming to the cross-sectional area of the passageway at least adjacent the upper end of the passageway. The plug members are interconnected in a manner to provide for free movement only in the plane in which the duct is inclined. The uppermost plug member is attached to the cap means and the cap means is in turn connected to a hoist means which is located directly over the open end of the duct.

  16. Simulation forecasts complex flow streams from Ekofisk

    SciTech Connect

    Arnes, F.C.; Lillejord, H.

    1996-10-28

    A commercial steady-state process flowsheet simulation program serves as the basis for a rigorous calculation model for predicting produced flow rates from the Ekofisk complex in the Norwegian sector of the North Sea. The complex is the center of an extensive gathering system that collects oil and gas streams from several producing fields. Prior to running a production forecast, the simulation model is initiated by matching several years of production. Once the simulation model matches historical production data within acceptable limits, it then is driven by production forecasts from reservoir simulations to develop long-term forecasts of gas, NGL, and oil production. The paper describes the Ekofisk field, the process simulation, implementation of the model, and problems encountered.

  17. Complex coacervation: A field theoretic simulation study of polyelectrolyte complexation

    NASA Astrophysics Data System (ADS)

    Lee, Jonghoon; Popov, Yuri O.; Fredrickson, Glenn H.

    2008-06-01

    Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors for the segment density and charge density are calculated and used to study the role of fluctuations in the electrostatic and chemical potential fields beyond the random phase approximation. We specifically focus on the role of charge density and molecular weight on the structure and complexation behavior of polycation-polyanion solutions. A demixing phase transition to form a ``complex coacervate'' is observed in strongly charged systems, and the corresponding spinodal and binodal boundaries of the phase diagram are investigated.

  18. [Iatrogenic bile duct injuries].

    PubMed

    Ruiz Gómez, Francisco; Ramia Ángel, José Manuel; García-Parreño Jofré, Jorge; Figueras, Joan

    2010-10-01

    Bile duct injuries can be caused by different reasons, with Iatrogenic Bile Duct Injuries (IBDI) being the most common factor. IBDI is a complex situation produced in apparently healthy patients and is associated with a high rate of morbidity and a low rate of mortality. A multidisciplinary approach between surgeons, radiologist and endoscopist offers the best chances for an initial diagnosis, therapeutic options, management and follow up of complications for the patient. The aim of this review is to describe the current medical literature with reference to IBDI, and discuss our therapeutic algorithm.

  19. Molecular dynamics simulations of large macromolecular complexes

    PubMed Central

    Perilla, Juan R.; Goh, Boon Chong; Cassidy, C. Keith; Liu, Bo; Bernardi, Rafael C.; Rudack, Till; Yu, Hang; Wu, Zhe; Schulten, Klaus

    2015-01-01

    Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulations are moving the atomic resolution descriptions of biological systems into the million-to-billion atom regime, in which numerous cell functions reside. In this opinion, we review the progress, driven by large-scale molecular dynamics simulations, in the study of viruses, ribosomes, bioenergetic systems, and other diverse applications. These examples highlight the utility of molecular dynamics simulations in the critical task of relating atomic detail to the function of supramolecular complexes, a task that cannot be achieved by smaller-scale simulations or existing experimental approaches alone. PMID:25845770

  20. Evaluation of panel code predictions with experimental results of inlet performance for a 17-inch ducted prop/fab simulator operating at Mach 0.2

    NASA Technical Reports Server (NTRS)

    Boldman, D. R.; Iek, C.; Hwang, D. P.; Jeracki, R. J.; Larkin, M.; Sorin, G.

    1991-01-01

    An axisymmetric panel code was used to evaluate a series of ducted propeller inlets. The inlets were tested in the Lewis 9 by 15 Foot Low Speed Wind Tunnel. Three basic inlets having ratios of shroud length to propeller diameter of 0.2, 0.4, and 0.5 were tested with the Pratt and Whitney ducted prop/fan simulator. A fourth hybrid inlet consisting of the shroud from the shortest basic inlet coupled with the spinner from the largest basic inlet was also tested. This later configuration represented the shortest overall inlet. The simulator duct diameter at the propeller face was 17.25 inches. The short and long spinners provided hub-to-tip ratios of 0.44 at the propeller face. The four inlets were tested at a nominal free stream Mach number of 0.2 and at angles of attack from 0 degrees to 35 degrees. The panel code method incorporated a simple two-part separation model which yielded conservative estimates of inlet separation.

  1. Computational Aerodynamic Simulations of an 840 ft/sec Tip Speed Advanced Ducted Propulsor Fan System Model for Acoustic Methods Assessment and Development

    NASA Technical Reports Server (NTRS)

    Tweedt, Daniel L.

    2014-01-01

    Computational Aerodynamic simulations of an 840 ft/sec tip speed, Advanced Ducted Propulsor fan system were performed at five different operating points on the fan operating line, in order to provide detailed internal flow field information for use with fan acoustic prediction methods presently being developed, assessed and validated. The fan system is a sub-scale, lownoise research fan/nacelle model that has undergone extensive experimental testing in the 9- by 15- foot Low Speed Wind Tunnel at the NASA Glenn Research Center, resulting in quality, detailed aerodynamic and acoustic measurement data. Details of the fan geometry, the computational fluid dynamics methods, the computational grids, and various computational parameters relevant to the numerical simulations are discussed. Flow field results for three of the five operating conditions simulated are presented in order to provide a representative look at the computed solutions. Each of the five fan aerodynamic simulations involved the entire fan system, excluding a long core duct section downstream of the core inlet guide vane. As a result, only fan rotational speed and system bypass ratio, set by specifying static pressure downstream of the core inlet guide vane row, were adjusted in order to set the fan operating point, leading to operating points that lie on a fan operating line and making mass flow rate a fully dependent parameter. The resulting mass flow rates are in good agreement with measurement values. The computed blade row flow fields for all five fan operating points are, in general, aerodynamically healthy. Rotor blade and fan exit guide vane flow characteristics are good, including incidence and deviation angles, chordwise static pressure distributions, blade surface boundary layers, secondary flow structures, and blade wakes. Examination of the computed flow fields reveals no excessive boundary layer separations or related secondary-flow problems. A few spanwise comparisons between

  2. Software for Simulating a Complex Robot

    NASA Technical Reports Server (NTRS)

    Goza, S. Michael

    2003-01-01

    RoboSim (Robot Simulation) is a computer program that simulates the poses and motions of the Robonaut a developmental anthropomorphic robot that has a complex system of joints with 43 degrees of freedom and multiple modes of operation and control. RoboSim performs a full kinematic simulation of all degrees of freedom. It also includes interface components that duplicate the functionality of the real Robonaut interface with control software and human operators. Basically, users see no difference between the real Robonaut and the simulation. Consequently, new control algorithms can be tested by computational simulation, without risk to the Robonaut hardware, and without using excessive Robonaut-hardware experimental time, which is always at a premium. Previously developed software incorporated into RoboSim includes Enigma (for graphical displays), OSCAR (for kinematical computations), and NDDS (for communication between the Robonaut and external software). In addition, RoboSim incorporates unique inverse-kinematical algorithms for chains of joints that have fewer than six degrees of freedom (e.g., finger joints). In comparison with the algorithms of OSCAR, these algorithms are more readily adaptable and provide better results when using equivalent sets of data.

  3. Small duct primary sclerosing cholangitis without inflammatory bowel disease is genetically different from large duct disease

    PubMed Central

    Næss, Sigrid; Björnsson, Einar; Anmarkrud, Jarl A.; Al Mamari, Said; Juran, Brian D.; Lazaridis, Konstantinos N.; Chapman, Roger; Bergquist, Annika; Melum, Espen; Marsh, Steven G. E.; Schrumpf, Erik; Lie, Benedicte A.; Boberg, Kirsten Muri; Karlsen, Tom H.; Hov, Johannes R.

    2014-01-01

    Background & aims Small duct primary sclerosing cholangitis (PSC) is phenotypically a mild version of large duct PSC, but it is unknown whether these phenotypes share aetiology. We aimed to characterize their relationship by investigating genetic associations in the HLA complex, which represent the strongest genetic risk factors in large duct PSC. Methods Four classical HLA loci (HLA-A, HLA-B, HLA-C, HLA-DRB1) were genotyped in 87 small duct PSC patients, 485 large duct PSC patients and 1117 controls across three geographical regions. Results HLA-DRB1*13:01 (OR=2.0, 95% CI 1.2–3.4, P=0.01) and HLA-B*08 (OR=1.6, 95% CI 1.1–2.4, P=0.02) were significantly associated with small duct PSC compared with healthy controls. Based on the observed frequency of HLA-B*08 in small duct PSC, the strongest risk factor in large duct PSC, an estimated 32% (95% CI 4%–65%) of this population can be hypothesized to represent early stages or mild variants of large duct PSC. This subgroup may be constituted by small duct PSC patients with inflammatory bowel disease (IBD), which greatly resembled large duct PSC in its HLA association. In contrast, small duct PSC without IBD was only associated with HLA-DRB1*13:01(P=0.03) and was otherwise distinctly dissimilar from large duct PSC. Conclusions Small duct PSC with IBD resembles large duct PSC in its HLA association and may represent early stages or mild variants of large duct disease. Different HLA associations in small duct PSC without IBD could indicate that this subgroup is a different entity. HLA-DRB1*13:01 may represent a specific risk factor for inflammatory bile duct disease. PMID:24517468

  4. Minimum-complexity helicopter simulation math model

    NASA Technical Reports Server (NTRS)

    Heffley, Robert K.; Mnich, Marc A.

    1988-01-01

    An example of a minimal complexity simulation helicopter math model is presented. Motivating factors are the computational delays, cost, and inflexibility of the very sophisticated math models now in common use. A helicopter model form is given which addresses each of these factors and provides better engineering understanding of the specific handling qualities features which are apparent to the simulator pilot. The technical approach begins with specification of features which are to be modeled, followed by a build up of individual vehicle components and definition of equations. Model matching and estimation procedures are given which enable the modeling of specific helicopters from basic data sources such as flight manuals. Checkout procedures are given which provide for total model validation. A number of possible model extensions and refinement are discussed. Math model computer programs are defined and listed.

  5. Simulating Complex Window Systems using BSDF Data

    SciTech Connect

    Konstantoglou, Maria; Jonsson, Jacob; Lee, Eleanor

    2009-06-22

    Nowadays, virtual models are commonly used to evaluate the performance of conventional window systems. Complex fenestration systems can be difficult to simulate accurately not only because of their geometry but also because of their optical properties that scatter light in an unpredictable manner. Bi-directional Scattering Distribution Functions (BSDF) have recently been developed based on a mixture of measurements and modelling to characterize the optics of such systems. This paper describes the workflow needed to create then use these BSDF datasets in the Radiance lighting simulation software. Limited comparisons are made between visualizations produced using the standard ray-tracing method, the BSDF method, and that taken in a full-scale outdoor mockup.

  6. Simulating Operation of a Complex Sensor Network

    NASA Technical Reports Server (NTRS)

    Jennings, Esther; Clare, Loren; Woo, Simon

    2008-01-01

    Simulation Tool for ASCTA Microsensor Network Architecture (STAMiNA) ["ASCTA" denotes the Advanced Sensors Collaborative Technology Alliance.] is a computer program for evaluating conceptual sensor networks deployed over terrain to provide military situational awareness. This or a similar program is needed because of the complexity of interactions among such diverse phenomena as sensing and communication portions of a network, deployment of sensor nodes, effects of terrain, data-fusion algorithms, and threat characteristics. STAMiNA is built upon a commercial network-simulator engine, with extensions to include both sensing and communication models in a discrete-event simulation environment. Users can define (1) a mission environment, including terrain features; (2) objects to be sensed; (3) placements and modalities of sensors, abilities of sensors to sense objects of various types, and sensor false alarm rates; (4) trajectories of threatening objects; (5) means of dissemination and fusion of data; and (6) various network configurations. By use of STAMiNA, one can simulate detection of targets through sensing, dissemination of information by various wireless communication subsystems under various scenarios, and fusion of information, incorporating such metrics as target-detection probabilities, false-alarm rates, and communication loads, and capturing effects of terrain and threat.

  7. Simulation of complex three-dimensional flows

    NASA Technical Reports Server (NTRS)

    Diewert, G. S.; Rothmund, H. J.; Nakahashi, K.

    1985-01-01

    The concept of splitting is used extensively to simulate complex three dimensional flows on modern computer architectures. Used in all aspects, from initial grid generation to the determination of the final converged solution, splitting is used to enhance code vectorization, to permit solution driven grid adaption and grid enrichment, to permit the use of concurrent processing, and to enhance data flow through hierarchal memory systems. Three examples are used to illustrate these concepts to complex three dimensional flow fields: (1) interactive flow over a bump; (2) supersonic flow past a blunt based conical afterbody at incidence to a free stream and containing a centered propulsive jet; and (3) supersonic flow past a sharp leading edge delta wing at incidence to the free stream.

  8. FDLBM simulation of double-diffusive mixed convection of shear-thinning fluids between two-square concentric duct annuli

    NASA Astrophysics Data System (ADS)

    Kefayati, GH. R.

    2015-11-01

    Double-diffusive mixed convection of pseudoplastic fluids between two-square concentric duct annuli has been analyzed by FDLBM. Results indicate that the augmentation of Richardson number decreases heat and mass transfer. The fall of the power law index declines heat and mass transfer at Ri = 0.00062 and 0.01. The increase in the size of the adiabatic body enhances the heat and mass transfer in the lid-driven enclosure generally.

  9. Reliability of Complex Nonlinear Numerical Simulations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    2004-01-01

    This work describes some of the procedure to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

  10. Payload crew training complex simulation engineer's handbook

    NASA Technical Reports Server (NTRS)

    Shipman, D. L.

    1984-01-01

    The Simulation Engineer's Handbook is a guide for new engineers assigned to Experiment Simulation and a reference for engineers previously assigned. The experiment simulation process, development of experiment simulator requirements, development of experiment simulator hardware and software, and the verification of experiment simulators are discussed. The training required for experiment simulation is extensive and is only referenced in the handbook.

  11. Aerial Survey of Ames Research Center - Flight Simulation Complex' Flight simulators create an

    NASA Technical Reports Server (NTRS)

    1967-01-01

    Aerial Survey of Ames Research Center - Flight Simulation Complex' Flight simulators create an authentic aircraft environment by generating the appropriate physical cues that provide the sensations of flight.

  12. Turbulent Flow Simulations in Complex Multilouvered Fins

    NASA Astrophysics Data System (ADS)

    Tafti, Danesh

    2000-11-01

    Air-side resistance makes up roughly 80resistance in compact heat exchangers. Multilouvered fins find widespread use in the automotive and HVAC industry for heat transfer augmentation. We will describe the computational methodology for simulating the complex three-dimensional geometry and present results at a Reynolds number of 1100 based on louver pitch and the average flow velocity. The three-dimensionality in the louver geometry occurs along the height of the fin, where the angled louver transitions to the flat landing and joins with the tube surface. The transition region is characterized by a swept leading edge and decreasing flow area between louvers. Results show the formation of spanwise vortices at the leading edge of the angled portion of the louver which convect downstream in the vicinity of the louver surface. Further there is evidence of a separate louver wake instability which interacts with the vortices shed from the leading edge. In the transition region, a high energy streamwise vortex jet is formed. The jet forms in the vicinity of the louver junction with the flat landing and is drawn under the louver in the transition region. The passage of the jet in the vicinity of the louver surface produces a high pressure stagnant zone directly under the jet with a net effect of reducing heat transfer. On the other hand, the top surface of the louver in the transition region experiences high velocities in the vicinity of the surface and exhibits much higher heat transfer coefficients than the bottom surface.

  13. Hollow lensing duct

    DOEpatents

    Beach, Raymond J.; Honea, Eric C.; Bibeau, Camille; Mitchell, Scott; Lang, John; Maderas, Dennis; Speth, Joel; Payne, Stephen A.

    2000-01-01

    A hollow lensing duct to condense (intensify) light using a combination of focusing using a spherical or cylindrical lens followed by reflective waveguiding. The hollow duct tapers down from a wide input side to a narrow output side, with the input side consisting of a lens that may be coated with an antireflective coating for more efficient transmission into the duct. The inside surfaces of the hollow lens duct are appropriately coated to be reflective, preventing light from escaping by reflection as it travels along the duct (reflective waveguiding). The hollow duct has various applications for intensifying light, such as in the coupling of diode array pump light to solid state lasing materials.

  14. Numerical investigation of unsteady flow development in a nozzle-duct configuration

    NASA Technical Reports Server (NTRS)

    Li, C. P.

    1983-01-01

    A computational approach has been used to resolve the transient phenomena caused by a rocket engine starting up and exhausting into a short duct. The results are obtained from the finite-difference Navier-Stokes, continuity, and energy equations for a single component gas. Using a recently developed numerical technique to account for the time-varying boundary conditions at the nozzle throat and the duct openings, the numerical simulation of the idealized ignition flow model has yielded some insight into the complex interactions between the wave patterns and the vortical flow. The present findings verify the hypothesis that a lateral expansion of the jetstream outside the nozzle will generate an over-pressure pulse on the duct wall if the jetstream is restricted within the nozzle by flow separation. The numerical simulations of this complex flow problem should be useful for improving simple correlation techniques used for engineering purposes.

  15. Optimization of the mechanical performance of a two-duct semicircular duct system--part 1: dynamics and duct dimensions.

    PubMed

    Muller, M; Verhagen, J H G

    2002-06-21

    The classical representation of the semicircular duct system consists of three separate duct circuits. The ducts are, however, in reality, hydrodynamically interconnected. Muller & Verhagen (1988a,b) derived equations for the mechanical behaviour of an interconnected system with three ducts (anterior, posterior and horizontal). An analytical solution of these equations would, however, be too complex to provide surveyable formulae. A system of two interconnected ducts avoids this complexity whilst keeping the essentials of the coupling of ducts intact. The solution of the equation of motion leads to expressions for time constants and maximal endolymph excursions which are functions of morphological parameters, viz. the ratios of radii (gamma) and lengths (lambda) of the common vestibular part (crus commune or utriculus) and the ducts. The system possesses two short time constants which are shown to have similar values. The maximum endolymph displacements in the two ducts after a steplike stimulus are the products of the respective initial velocities and combinations of time constants. The initial velocities depend strongly on the position of the labyrinth with respect to the excitating rotation vector. Measured data of gamma and lambda are compared with the theoretical results. For gamma, excellent agreement was found. lambda is treated elsewhere. PMID:12151258

  16. Salivary duct stones

    MedlinePlus

    Spit (saliva) is produced by the salivary glands in the mouth. The chemicals in saliva can form a hard crystal that can block the salivary ducts. When saliva cannot exit a blocked duct, it backs up ...

  17. Rocket-in-a-Duct Performance Analysis

    NASA Technical Reports Server (NTRS)

    Schneider, Steven J.; Reed, Brian D.

    1999-01-01

    An axisymmetric, 110 N class, rocket configured with a free expansion between the rocket nozzle and a surrounding duct was tested in an altitude simulation facility. The propellants were gaseous hydrogen and gaseous oxygen and the hardware consisted of a heat sink type copper rocket firing through copper ducts of various diameters and lengths. A secondary flow of nitrogen was introduced at the blind end of the duct to mix with the primary rocket mass flow in the duct. This flow was in the range of 0 to 10% of the primary massflow and its effect on nozzle performance was measured. The random measurement errors on thrust and massflow were within +/-1%. One dimensional equilibrium calculations were used to establish the possible theoretical performance of these rocket-in-a-duct nozzles. Although the scale of these tests was small, they simulated the relevant flow expansion physics at a modest experimental cost. Test results indicated that lower performance was obtained at higher free expansion area ratios and longer ducts, while, higher performance was obtained with the addition of secondary flow. There was a discernable peak in specific impulse efficiency at 4% secondary flow. The small scale of these tests resulted in low performance efficiencies, but prior numerical modeling of larger rocket-in-a-duct engines predicted performance that was comparable to that of optimized rocket nozzles. This remains to be proven in large-scale, rocket-in-a-duct tests.

  18. Simultaneous bile duct and portal vein ligation induces faster atrophy/hypertrophy complex than portal vein ligation: role of bile acids

    PubMed Central

    Ren, Weizheng; Chen, Geng; Wang, Xiaofeng; Zhang, Aiqun; Li, Chonghui; Lv, Wenping; Pan, Ke; Dong, Jia-hong

    2015-01-01

    Portal vein ligation (PVL) induces atrophy/hypertrophy complex (AHC). We hypothesised that simultaneous bile duct and portal vein ligation (BPL) might induce proper bile acid (BA) retention to enhance AHC by activating BA-mediated FXR signalling in the intact liver and promoting apoptosis in the ligated liver. We established rat models of 90% BPL and 90% PVL and found that BPL was well-tolerated and significantly accelerated AHC. The enhanced BA retention in the intact liver promoted hepatocyte proliferation by promoting the activation of FXR signalling, while that in the ligated liver intensified caspase3-mediated apoptosis. Decreasing the BA pools in the rats that underwent BPL could compromise these effects, whereas increasing the bile acid pools of rats that underwent PVL could induce similar effects. Second-stage resection of posterior-caudate-lobe-spearing hepatectomy was performed 5 days after BPL (B-Hx), PVL (V-Hx) or sham (S-SHx), as well as whole-caudate-lobe-spearing hepatectomy 5 days after sham (S-Hx). The B-Hx group had the most favourable survival rate (93.3%, the S-SHx group 0%, the S-Hx group 26.7%, the V-Hx group 56.7%, P < 0.01) and the most sustained regeneration. We conclude that BPL is a safe and effective method, and the acceleration of AHC was bile acid-dependent. PMID:25678050

  19. Comprehensive Report of Fan Performance From Duct Rake Instrumentation on 1.294 Pressure Ratio, 806 ft/sec Tip Speed Turbofan Simulator Models

    NASA Technical Reports Server (NTRS)

    Jeracki, Robert J.

    2006-01-01

    A large scale model representative of an advanced ducted propulsor-type, low-noise, very high bypass ratio turbofan engine was tested for acoustics, aerodynamic performance, and off-design operability in the NASA Glenn 9- by 15-Foot Low-Speed Wind Tunnel. The test was part of NASA s Advanced Subsonic Technology Noise Reduction Program. The low tip speed fan, nacelle, and un-powered core passage were simulated. As might be expected, the effect of stall management casing treatment was a performance penalty. Reducing the recirculating flow at the fan tip reduced the penalty while still providing sufficient stall margin. Two fans were tested with the same aerodynamic design; one with graphite composite material, and the other with solid titanium. There were surprising performance differences between the two fans, though both blades showed some indication of transitional flow near the tips. Though the pressure and temperature ratios were low for this fan design, the techniques used to improve thermocouple measurement accuracy gave repeatable data with adiabatic efficiencies agreeing within 1 percent. The measured fan adiabatic efficiency at simulated takeoff conditions was 93.7 percent and matched the design intent.

  20. Finite-difference theory for sound propagation in a lined duct with uniform flow using the wave envelope concept

    NASA Technical Reports Server (NTRS)

    Baumeister, K. J.

    1977-01-01

    Finite difference equations are derived for sound propagation in a two dimensional, straight, soft wall duct with a uniform flow by using the wave envelope concept. This concept reduces the required number of finite difference grid points by one to two orders of magnitude depending on the length of the duct and the frequency of the sound. The governing acoustic difference equations in complex notation are derived. An exit condition is developed that allows a duct of finite length to simulate the wave propagation in an infinitely long duct. Sample calculations presented for a plane wave incident upon the acoustic liner show the numerical theory to be in good agreement with closed form analytical theory. Complete pressure and velocity printouts are given to some sample problems and can be used to debug and check future computer programs.

  1. Bile duct stricture

    MedlinePlus

    ... bile duct Damage or scarring after gallbladder removal Pancreatitis Primary sclerosing cholangitis ... your health care provider if symptoms recur after pancreatitis, cholecystectomy , or other biliary surgery.

  2. Lightweight Valve Closes Duct Quickly

    NASA Technical Reports Server (NTRS)

    Fournier, Walter L.; Burgy, N. Frank

    1991-01-01

    Expanding balloon serves as lightweight emergency valve to close wide duct. Uninflated balloon stored in housing of duct. Pad resting on burst diaphragm protects balloon from hot gases in duct. Once control system triggers valve, balloon inflates rapidly to block duct. Weighs much less than does conventional butterfly, hot-gas, or poppet valve capable of closing duct of equal diameter.

  3. Designing Better Scaffolding in Teaching Complex Systems with Graphical Simulations

    ERIC Educational Resources Information Center

    Li, Na

    2013-01-01

    Complex systems are an important topic in science education today, but they are usually difficult for secondary-level students to learn. Although graphic simulations have many advantages in teaching complex systems, scaffolding is a critical factor for effective learning. This dissertation study was conducted around two complementary research…

  4. A molecular simulation study on salt response of polyelectrolyte complexes

    NASA Astrophysics Data System (ADS)

    Antila, Hanne; van Tassel, Paul; Sammalkorpi, Maria

    2015-03-01

    In aqueous solutions, oppositely charged polymers, polyelectrolytes (PEs) form complexes which are known to be sensitive to added salt with responses ranging from shrinking to full destabilization of the complex. As a specific application of PE complexes, the complex formation of DNA with polycations has been demonstrated to be an effective means of transfecting genetic material in gene therapy. We use all-atom molecular dynamics and coarse-grained Monte Carlo simulations to investigate the effect of excess salt on DNA-polycation complex stability. The detailed all-atom simulations demonstrate the mechanism of polycation and ion species specific salt-driven dissociation involving charge reversal. More generally, other possible mechanisms of salt driven dissociation exist as well. The coarse grained approach, which describes the PE complex as oppositely charged, rigid rods and ions as hard spheres, provides a more complete understanding of PE interactions in salt, and suggests possible mechanisms leading to repulsion between the oppositely charged polyelectrolytes.

  5. Hybrid functionals for simulating complex oxides

    NASA Astrophysics Data System (ADS)

    Franchini, Cesare

    Hybrid functionals are a class of exchange-correlation (XC) functionals in density functional theory (DFT) that are constructed by a suitable mixing of local/semi-local XC functionals (LDA/GGA) with a certain portion of the exact Hartree-Fock exchange. After being used for years in the chemistry community for studying molecular properties, hybrid functionals are being increasingly widely used for solid state problems, for which standard LDA/GGA approximations provide a defective description. In particular, hybrid functionals appear to account well for the complicated coupling between lattice, charge and spin degrees of freedom in transition metal oxides, a class of materials that has recently attracted a lot of interest due to its technological relevance (all-oxides electronics), the large spectrum of functionalities, and the many challenging issues related to strong electronic correlation. The purpose of this talk is to present the essential ideas and physical picture of hybrid functionals and to present a map of recent applications to complex oxides aiming to cover an ample spectra of cases (sp , 3 d, 4 d and 5 d compounds) and to discuss an extended array of physical phenomena including: metal-to-insulator transitions, electron localization, bandgap prediction, polarons, multiferroism, and spin-orbit coupling.

  6. Advanced Duct Sealing Testing

    SciTech Connect

    Sherman, Max H.; Walker, Iain S.

    2003-08-01

    Duct leakage has been identified as a major source of energy loss in residential buildings. Most duct leakage occurs at the connections to registers, plenums or branches in the duct system. At each of these connections a method of sealing the duct system is required. Typical sealing methods include tapes or mastics applied around the joints in the system. Field examinations of duct systems have typically shown that these seals tend to fail over extended periods of time. The Lawrence Berkeley National Laboratory has been testing sealant durability for several years. Typical duct tape (i.e. fabric backed tapes with natural rubber adhesives) was found to fail more rapidly than all other duct sealants. This report summarizes the results of duct sealant durability testing of five UL 181B-FX listed duct tapes (three cloth tapes, a foil tape and an Oriented Polypropylene (OPP) tape). One of the cloth tapes was specifically developed in collaboration with a tape manufacturer to perform better in our durability testing. The first test involved the aging of common ''core-to-collar joints'' of flexible duct to sheet metal collars, and sheet metal ''collar-to-plenum joints'' pressurized with 200 F (93 C) air. The second test consisted of baking duct tape specimens in a constant 212 F (100 C) oven following the UL 181B-FX ''Temperature Test'' requirements. Additional tests were also performed on only two tapes using sheet metal collar-to-plenum joints. Since an unsealed flexible duct joint can have a variable leakage depending on the positioning of the flexible duct core, the durability of the flexible duct joints could not be based on the 10% of unsealed leakage criteria. Nevertheless, the leakage of the sealed specimens prior to testing could be considered as a basis for a failure criteria. Visual inspection was also documented throughout the tests. The flexible duct core-to-collar joints were inspected monthly, while the sheet metal collar-to-plenum joints were inspected

  7. Duct Tape Durability Testing

    SciTech Connect

    Sherman, Max H.; Walker, Iain S.

    2004-04-01

    Duct leakage is a major source of energy loss in residential buildings. Most duct leakage occurs at the connections to registers, plenums, or branches in the duct system. At each of these connections, a method of sealing the duct system is required. Typical sealing methods include tapes or mastics applied around the joints in the system. Field examinations of duct systems have shown that taped seals tend to fail over extended periods of time. The Lawrence Berkeley National Laboratory (LBNL) has been testing sealant durability for several years using accelerated test methods and found that typical duct tape (i.e., cloth-backed tapes with natural rubber adhesives) fails more rapidly than other duct sealants. This report summarizes the results of duct sealant durability testing over two years for four UL 181B-FX listed duct tapes (two cloth tapes, a foil tape and an Oriented Polypropylene (OPP) tape). One of the cloth tapes was specifically developed in collaboration with a tape manufacturer to perform better in our durability testing. The tests involved the aging of common ''core-to-collar joints'' of flexible duct to sheet metal collars. Periodic air leakage tests and visual inspection were used to document changes in sealant performance. After two years of testing, the flex-to-collar connections showed little change in air leakage, but substantial visual degradation from some products. A surprising experimental result was failure of most of the clamps used to mechanically fasten the connections. This indicates that the durability of clamps also need to be addressed ensure longevity of the duct connection. An accelerated test method developed during this study has been used as the basis for an ASTM standard (E2342-03).

  8. Numerical Simulation of Complex Turbomachinery Flows

    NASA Technical Reports Server (NTRS)

    Chernobrovkin, A. A.; Lakshiminarayana, B.

    1999-01-01

    An unsteady, multiblock, Reynolds Averaged Navier Stokes solver based on Runge-Kutta scheme and Pseudo-time step for turbo-machinery applications was developed. The code was validated and assessed against analytical and experimental data. It was used to study a variety of physical mechanisms of unsteady, three-dimensional, turbulent, transitional, and cooling flows in compressors and turbines. Flow over a cylinder has been used to study effects of numerical aspects on accuracy of prediction of wake decay and transition, and to modify K-epsilon models. The following simulations have been performed: (a) Unsteady flow in a compressor cascade: Three low Reynolds number turbulence models have been assessed and data compared with Euler/boundary layer predictions. Major flow features associated with wake induced transition were predicted and studied; (b) Nozzle wake-rotor interaction in a turbine: Results compared to LDV data in design and off-design conditions, and cause and effect of unsteady flow in turbine rotors were analyzed; (c) Flow in the low-pressure turbine: Assessed capability of the code to predict transitional, attached and separated flows at a wide range of low Reynolds numbers and inlet freestream turbulence intensity. Several turbulence and transition models have been employed and comparisons made to experiments; (d) leading edge film cooling at compound angle: Comparisons were made with experiments, and the flow physics of the associated vortical structures were studied; and (e) Tip leakage flow in a turbine. The physics of the secondary flow in a rotor was studied and sources of loss identified.

  9. Simulation of complex phenomena in optical fibres

    NASA Astrophysics Data System (ADS)

    Allington-Smith, Jeremy; Murray, Graham; Lemke, Ulrike

    2012-12-01

    Optical fibres are essential for many types of highly multiplexed and precision spectroscopy. The success of the new generation of multifibre instruments under construction to investigate fundamental problems in cosmology, such as the nature of dark energy, requires accurate modellization of the fibre system to achieve their signal-to-noise ratio (SNR) goals. Despite their simple construction, fibres exhibit unexpected behaviour including non-conservation of etendue (focal ratio degradation, FRD) and modal noise. Furthermore, new fibre geometries (non-circular or tapered) have become available to improve the scrambling properties that, together with modal noise, limit the achievable SNR in precision spectroscopy. These issues have often been addressed by extensive tests on candidate fibres and their terminations, but these are difficult and time-consuming. Modelling by ray tracing and wave analysis is possible with commercial software packages, but these do not address the more complex features, in particular FRD. We use a phase-tracking ray-tracing method to provide a practical description of FRD derived from our previous experimental work on circular fibres and apply it to non-standard fibres. This allows the relationship between scrambling and FRD to be quantified for the first time. We find that scrambling primarily affects the shape of the near-field pattern but has negligible effect on the barycentre. FRD helps to homogenize the near-field pattern but does not make it completely uniform. Fibres with polygonal cross-section improve scrambling without amplifying the FRD. Elliptical fibres, in conjunction with tapering, may offer an efficient means of image slicing to improve the product of resolving power and throughput, but the result is sensitive to the details of illumination. We also investigated the performance of fibres close to the limiting numerical aperture since this may affect the uniformity of the SNR for some prime focus fibre instrumentation.

  10. Complex Organics from Laboratory Simulated Interstellar Ices

    NASA Technical Reports Server (NTRS)

    Dworkin, J. P.

    2003-01-01

    Many of the volatiles in interstellar dense clouds exist in ices surrounding dust grains. The low temperatures of these ices (T < 50 K) preclude most chemical reactions, but photolysis can drive reactions that produce a suite of new species, many of which are complex organics. We study the UV and proton radiation processing of interstellar ice analogs to explore links between interstellar chemistry, the organics in comets and meteorites, and the origin of life on Earth. The high D/H ratios in some interstellar species, and the knowledge that many of the organics in primitive meteorites are D-enriched, suggest that such links are plausible. Once identified, these species may serve as markers of interstellar heritage of cometary dust and meteorites. Of particular interest are our findings that UV photolysis of interstellar ice analogs produce molecules of importance in current living organisms, including quinones, amphiphiles, and amino acids. Quinones are essential in vital metabolic roles such as electron transport. Studies show that quinones should be made wherever polycyclic aromatic hydrocarbons are photolyzed in interstellar ices. In the case of anthracene-containing ices, we have observed the production of 9-anthrone and 9,10 anthraquinone, both of which have been observed in the Murchison meteorite. Amphiphiles are also made when mixed molecular ices are photolyzed. These amphiphiles self-assemble into fluorescent vesicles when placed in liquid water, as do Murchison extracts. Both have the ability to trap an ionic dye. Photolysis of plausible ices can also produce alanine, serine, and glycine as well as a number of small alcohols and amines. Flash heating of the room temperature residue generated by such experiments generates mass spectral distributions similar to those of IDPs. The detection of high D/H ratios in some interstellar molecular species, and the knowledge that many of the organics, such as hydroxy and amino acids, in primitive meteorites are D

  11. Final report [Molecular simulations of complex fluids in confined geometrics

    SciTech Connect

    Gehrke, Stevin H.; Jiang, Shaoyi

    2002-07-22

    This award supports collaborative research between Kansas State University and Sandia National Laboratories on the topic ''Molecular simulations of complex fluids in confined geometries.'' The objectives of this work are to develop new methodologies for fast and accurate simulations, and to apply simulations to various problems of interest to DOE. The success of this work will address several deficiencies in Sandia's capabilities in the area of molecular simulations. In addition, it provides educational opportunities for students and will enhance the science and technology capabilities at Kansas State through partnership with the national laboratories.

  12. Low loss duct burner

    SciTech Connect

    Mar, H. M.; Reider, S. B.

    1985-07-09

    A jet propulsion engine with a fan bypass duct includes a duct burner with a plurality of flame stabilizers therein each mounted to inner case and outer case members through spherical bearings. Each of the stabilizers consists of two blade members having integral arms thereon actuated by fore and aft motion of an external actuating ring to assume an expanded position to increase duct turbulence for mixing air flow therethrough with a fuel supply and into a retracted position against each other to reduce pressure drop under nonafterburning operation. Each of the flame stabilizer blades has a platform that controls communication between a hot air source and a duct for improving fuel vaporization during afterburner operation thereby to increase afterburning limits; the platforms close communication between the hot air source and the duct during nonafterburning operation when flame stabilization is not required.

  13. Entropy and enthalpy of polyelectrolyte complexation: Langevin dynamics simulations.

    PubMed

    Ou, Zhaoyang; Muthukumar, M

    2006-04-21

    We report a systematic study by Langevin dynamics simulation on the energetics of complexation between two oppositely charged polyelectrolytes of same charge density in dilute solutions of a good solvent with counterions and salt ions explicitly included. The enthalpy of polyelectrolyte complexation is quantified by comparisons of the Coulomb energy before and after complexation. The entropy of polyelectrolyte complexation is determined directly from simulations and compared with that from a mean-field lattice model explicitly accounting for counterion adsorption. At weak Coulomb interaction strengths, e.g., in solvents of high dielectric constant or with weakly charged polyelectrolytes, complexation is driven by a negative enthalpy due to electrostatic attraction between two oppositely charged chains, with counterion release entropy playing only a subsidiary role. In the strong interaction regime, complexation is driven by a large counterion release entropy and opposed by a positive enthalpy change. The addition of salt reduces the enthalpy of polyelectrolyte complexation by screening electrostatic interaction at all Coulomb interaction strengths. The counterion release entropy also decreases in the presence of salt, but the reduction only becomes significant at higher Coulomb interaction strengths. More significantly, in the range of Coulomb interaction strengths appropriate for highly charged polymers in aqueous solutions, complexation enthalpy depends weakly on salt concentration and counterion release entropy exhibits a large variation as a function of salt concentration. Our study quantitatively establishes that polyelectrolyte complexation in highly charged Coulomb systems is of entropic origin.

  14. Thermal performance of residential duct systems in basements

    SciTech Connect

    Treidler, B.; Modera, M.

    1994-02-01

    There are many unanswered questions about the typical effects of duct system operation on the infiltration rates and energy usage of single- family residences with HVAC systems in their basements. In this paper, results from preliminary field studies and computer simulations are used to examine the potential for improvements in efficiency of air distribution systems in such houses. The field studies comprise thermal and flow measurements on four houses in Maryland. The houses were found to have significant envelope leakage, duct leakage, and duct conduction losses. Simulations of a basement house, the characteristics of which were chosen from the measured houses, were performed to assess the energy savings potential for basement house. The simulations estimate that a nine percent reduction in space conditioning energy use is obtained by sealing eighty percent of the duct leaks and insulating ducts to an R-value of 0.88 {degree}C{center_dot}m{sup 2}/W (5{degree}F{center_dot}ft{sup 2}{center_dot}h/BTU) where they are exposed in the basement. To determine the maximum possible reduction m energy use, simulations were run with all ducts insulated to 17.6 {degree}C{center_dot}m{sup 2}/W (100 {degree}F{center_dot}ft{sup 2}{center_dot}h/BTU) and with no duct leakage. A reduction of energy use by 14% is obtained by using perfect ducts instead of nominal ducts.

  15. Petaflop hydrokinetic simulations of complex flows on massive GPU clusters

    NASA Astrophysics Data System (ADS)

    Bernaschi, M.; Bisson, M.; Fatica, M.; Melchionna, S.; Succi, S.

    2013-02-01

    We present recent extensions of the MUPHY computational framework for multi-scale simulation of complex bio-fluidic phenomena in real-life geometries. The new framework, which builds on concurrent advances of the computational modeling and parallelization techniques, is able to simulate suspensions with several hundreds of millions of finite-size bodies, interacting with each other and with the surrounding fluid, in geometries of realistic anatomic complexity. Blood flow through the human coronary arteries, at physiological hematocrit values, is simulated with a spatial resolution of 10 micrometers, comparable with the size of red blood cells. The simulation exhibits excellent parallel scalability on a cluster of 4000 M2050 Nvidia GPUs, with an aggregate performance close to 1 Petaflop/s.

  16. An analytical solution for Dean flow in curved ducts with rectangular cross section

    NASA Astrophysics Data System (ADS)

    Norouzi, M.; Biglari, N.

    2013-05-01

    In this paper, a full analytical solution for incompressible flow inside the curved ducts with rectangular cross-section is presented for the first time. The perturbation method is applied to solve the governing equations and curvature ratio is considered as the perturbation parameter. The previous perturbation solutions are usually restricted to the flow in curved circular or annular pipes related to the overly complex form of solutions or singularity situation for flow in curved ducts with non-circular shapes of cross section. This issue specifies the importance of analytical studies in the field of Dean flow inside the non-circular ducts. In this study, the main flow velocity, stream function of lateral velocities (secondary flows), and flow resistance ratio in rectangular curved ducts are obtained analytically. The effect of duct curvature and aspect ratio on flow field is investigated as well. Moreover, it is important to mention that the current analytical solution is able to simulate the Taylor-Görtler and Dean vortices (vortices in stable and unstable situations) in curved channels.

  17. Quantum simulations of small electron-hole complexes

    SciTech Connect

    Lee, M.A.; Kalia, R.K.; Vashishta, P.D.

    1984-09-01

    The Green's Function Monte Carlo method is applied to the calculation of the binding energies of electron-hole complexes in semiconductors. The quantum simulation method allows the unambiguous determination of the ground state energy and the effects of band anisotropy on the binding energy. 22 refs., 1 fig.

  18. Complex Equilibria Changing in Photochemical Reaction: Computerized Evaluation and Simulation.

    ERIC Educational Resources Information Center

    Horvath, Otto; Papp, Sandor

    1988-01-01

    States that if photochemical reactions can be followed spectrophotometrically, reactivities can be estimated by evaluating data from only one curve. Studies such a system using computerized evaluation and simulation. Uses chlorocuprate(II) complexes in acetonitrile solutions for the model systems. (MVL)

  19. Physical Simulation of Investment Casting of Complex Shape Parts

    NASA Astrophysics Data System (ADS)

    Rahimian, Mehdi; Milenkovic, Srdjan; Maestro, Laura; De Azua, Aitor Eguidazu Ruiz; Sabirov, Ilchat

    2015-05-01

    Development of investment casting process has been a challenge for manufacturers of complex shape parts. Numerous experimental casting trials are typically carried out to determine the optimum casting parameters for fabrication of high-quality products. In this work, it is demonstrated that physical simulation of investment casting can successfully predict microstructure and hardness in as-cast complex shape parts. The physical simulation tool consists of a thermal model and melting/solidification experiments in thermo-mechanical simulator. The thermal model is employed to predict local cooling rate during solidification at each point of a casting. Melting/solidification experiments are carried out under controlled cooling rates estimated by the thermal model. Microstructural and mechanical characterization of the solidified specimens is performed; the obtained results predict the local microstructure and mechanical properties of the casting. This concept is applied to investment casting of complex shape nozzle guide vanes from Mar-M247 Ni-based superalloy. Experimental casting trials are performed and the outcomes of physical simulation tool are validated against experimental results. It is shown that phase composition, secondary dendrite arm spacing, grain size, γ/ γ' eutectic size and volume fraction, size and shape of carbide particles, and local microhardness can be predicted at each point of the casting via physical simulation.

  20. Thermal performance of residential duct systems in basements

    NASA Astrophysics Data System (ADS)

    Treidler, Burke; Modera, Mark

    1994-01-01

    There are many unanswered questions about the typical effects of duct system operation on the infiltration rates and energy usage of single-family residences with HVAC systems in their basements. Results from preliminary field studies and computer simulations are used to examine the potential for improvements in efficiency of air distribution systems in such houses. The field studies comprise thermal and flow measurements on four houses in Maryland. The houses were found to have significant envelope leakage, duct leakage, and duct conduction losses. Simulations of a basement house, the characteristics of which were chosen from the measured houses, were performed to assess the energy savings potential for basement house. The simulations estimate that a nine percent reduction in space conditioning energy use is obtained by sealing eighty percent of the duct leaks and insulating ducks to an R-value of 0.88 (C x sq. m)/W(100 F x sq. ft x h/BTU) where they are exposed in the basement. To determine the maximum possible reduction in energy use, simulations were run with all ducts insulated to (17.6 C x sq m)/W(100 F x sq. ft x h/BTU) and with no duct leakage. A reduction of energy use by 14% is obtained by using perfect ducts instead of normal ducts.

  1. Atomistic Simulation of Lignocellulosic Biomass and Associated Cellulosomal Protein Complexes

    SciTech Connect

    Petridis, Loukas; Crowley, Michael F; Smith, Jeremy C

    2010-01-01

    Computer simulations have been performed to obtain an atomic-level understanding of lignocellulose structure and the assembly of its associated cellulosomal protein complexes. First, a CHARMM molecular mechanics force field for lignin is derived and validated by performing a molecular dynamics simulation of a crystal of a lignin fragment molecule and comparing simulation-derived structural features with experimental results. Together with the existing force field for polysaccharides, this work provides the basis for full simulations of lignocellulose. Second, the underlying molecular mechanism governing the assembly of various cellulosomal modules is investigated by performing a novel free-energy calculation of the cohesin-dockerin dissociation. Our calculation indicates a free-energy barrier of ~17 kcal/mol and further reveals a stepwise dissociation pathway involving both the central -sheet interface and its adjacent solvent-exposed loop/turn regions clustered at both ends of the -barrel structure.

  2. A case of cholecystohepatic duct with atrophic common hepatic duct

    PubMed Central

    Schofield, A; Hankins, J

    2003-01-01

    Background Cholecystohepatic ducts are rare congenital variants of the biliary tree. Case outline An 81-year-old woman presented with biliary colic and elevated liver function tests. An ERCP demonstrated a common bile duct stone and stricture of the common hepatic duct. An operative cholangiogram demonstrated an atrophic common hepatic duct and retrograde filling of the gallbladder through a large cholecystoheptic duct. The patient had a cholecystectomy and reconstructive cholecystohepatic duct jejunostomy. Discussion This case demonstrates a rare congenital anomaly where the gallbladder fills retrograde during an intraoperative cholangiogram despite clipping of the cystic duct. The major path of biliary drainage was through a large cholecystoheptic duct similar to a gallbladder interposition; however, the common hepatic duct was still present but atrophic. This anomaly has not been described previously. PMID:18332999

  3. Accessory Pancreatic Duct Patterns and Their Clinical Implications

    PubMed Central

    Prasanna, Lokadolalu Chandracharya; Rajagopal, KV; Thomas, Huban R

    2015-01-01

    Context and Objective: Accessory pancreatic duct (APD) designed to reduce the pressure of major pancreatic duct by forming a secondary drainage channel. Few studies have mentioned the variant types of accessory ducts and their mode of formation, some of these have a clear clinical significance. Present study is aimed to evaluate the possible variations in the APD and its terminations. Materials and Methods: Forty formalin fixed adult human pancreas with duodenum in situ specimens were studied by injecting 1% aqueous eosin, followed by piece meal dissection of the head of the pancreas from posterior surface. Formation, tributaries, relations, and the termination of the accessory pancreatic duct were noted and photographed. Results: Accessory ducts revealed 50% belonged to long type, 22.5% were of short and ansa pancreatica type each, and embryonic type of duct pattern was seen in 5% specimens. 75% of long type ducts showed positive patency with eosin dye, followed by ansa type (44.4%), and least patency was found in short type (22.2%). With regard to the patency of the accessory pancreatic ducts towards their termination, we found 52.5% of the accessory ducts and 5% of the embryonic type pancreatic ducts were patent and in 42.5% of the specimen the ducts were obliterated. In 85% of specimens the minor duodenal papillae was anterosuperior to the major papilla and superior to the major papillae in 10% of the cases, and in 5% minor papillae was absent. The average distance between the two papillae was 2.35 cm. Conclusion: The knowledge of the complex anatomical relations of the gland with its duct, duodenum and bile ducts are essential for the surgeons and sinologists to plan and perform both the diagnostic as well as therapeutic procedures effectively. PMID:25954609

  4. Route complexity and simulated physical ageing negatively influence wayfinding.

    PubMed

    Zijlstra, Emma; Hagedoorn, Mariët; Krijnen, Wim P; van der Schans, Cees P; Mobach, Mark P

    2016-09-01

    The aim of this age-simulation field experiment was to assess the influence of route complexity and physical ageing on wayfinding. Seventy-five people (aged 18-28) performed a total of 108 wayfinding tasks (i.e., 42 participants performed two wayfinding tasks and 33 performed one wayfinding task), of which 59 tasks were performed wearing gerontologic ageing suits. Outcome variables were wayfinding performance (i.e., efficiency and walking speed) and physiological outcomes (i.e., heart and respiratory rates). Analysis of covariance showed that persons on more complex routes (i.e., more floor and building changes) walked less efficiently than persons on less complex routes. In addition, simulated elderly participants perform worse in wayfinding than young participants in terms of speed (p < 0.001). Moreover, a linear mixed model showed that simulated elderly persons had higher heart rates and respiratory rates compared to young people during a wayfinding task, suggesting that simulated elderly consumed more energy during this task. PMID:27184311

  5. 91. VIEW OF OBSOLETE AIRCONDITIONING DUCTS LOCATED IN NORTHWEST CORNER ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    91. VIEW OF OBSOLETE AIR-CONDITIONING DUCTS LOCATED IN NORTHWEST CORNER OF ROOM, ABOVE SLC-3E AUTOPILOT EQUIPMENT. DIGITAL COUNTDOWN AND HOLD CLOCKS ON WALL LEFT OF DUCTS - Vandenberg Air Force Base, Space Launch Complex 3, Launch Operations Building, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  6. Patent arterial duct.

    PubMed

    Forsey, Jonathan T; Elmasry, Ola A; Martin, Robin P

    2009-07-10

    Patent arterial duct (PAD) is a congenital heart abnormality defined as persistent patency in term infants older than three months. Isolated PAD is found in around 1 in 2000 full term infants. A higher prevalence is found in preterm infants, especially those with low birth weight. The female to male ratio is 2:1. Most patients are asymptomatic when the duct is small. With a moderate-to-large duct, a characteristic continuous heart murmur (loudest in the left upper chest or infraclavicular area) is typical. The precordium may be hyperactive and peripheral pulses are bounding with a wide pulse pressure. Tachycardia, exertional dyspnoea, laboured breathing, fatigue or poor growth are common. Large shunts may lead to failure to thrive, recurrent infection of the upper respiratory tract and congestive heart failure. In the majority of cases of PAD there is no identifiable cause. Persistence of the duct is associated with chromosomal aberrations, asphyxia at birth, birth at high altitude and congenital rubella. Occasional cases are associated with specific genetic defects (trisomy 21 and 18, and the Rubinstein-Taybi and CHARGE syndromes). Familial occurrence of PAD is uncommon and the usual mechanism of inheritance is considered to be polygenic with a recurrence risk of 3%. Rare families with isolated PAD have been described in which the mode of inheritance appears to be dominant or recessive. Familial incidence of PAD has also been linked to Char syndrome, familial thoracic aortic aneurysm/dissection associated with patent arterial duct, and familial patent arterial duct and bicuspid aortic valve associated with hand abnormalities. Diagnosis is based on clinical examination and confirmed with transthoracic echocardiography. Assessment of ductal blood flow can be made using colour flow mapping and pulsed wave Doppler. Antenatal diagnosis is not possible, as PAD is a normal structure during antenatal life. Conditions with signs and symptoms of pulmonary overcirculation

  7. Patent arterial duct

    PubMed Central

    Forsey, Jonathan T; Elmasry, Ola A; Martin, Robin P

    2009-01-01

    Patent arterial duct (PAD) is a congenital heart abnormality defined as persistent patency in term infants older than three months. Isolated PAD is found in around 1 in 2000 full term infants. A higher prevalence is found in preterm infants, especially those with low birth weight. The female to male ratio is 2:1. Most patients are asymptomatic when the duct is small. With a moderate-to-large duct, a characteristic continuous heart murmur (loudest in the left upper chest or infraclavicular area) is typical. The precordium may be hyperactive and peripheral pulses are bounding with a wide pulse pressure. Tachycardia, exertional dyspnoea, laboured breathing, fatigue or poor growth are common. Large shunts may lead to failure to thrive, recurrent infection of the upper respiratory tract and congestive heart failure. In the majority of cases of PAD there is no identifiable cause. Persistence of the duct is associated with chromosomal aberrations, asphyxia at birth, birth at high altitude and congenital rubella. Occasional cases are associated with specific genetic defects (trisomy 21 and 18, and the Rubinstein-Taybi and CHARGE syndromes). Familial occurrence of PAD is uncommon and the usual mechanism of inheritance is considered to be polygenic with a recurrence risk of 3%. Rare families with isolated PAD have been described in which the mode of inheritance appears to be dominant or recessive. Familial incidence of PAD has also been linked to Char syndrome, familial thoracic aortic aneurysm/dissection associated with patent arterial duct, and familial patent arterial duct and bicuspid aortic valve associated with hand abnormalities. Diagnosis is based on clinical examination and confirmed with transthoracic echocardiography. Assessment of ductal blood flow can be made using colour flow mapping and pulsed wave Doppler. Antenatal diagnosis is not possible, as PAD is a normal structure during antenatal life. Conditions with signs and symptoms of pulmonary overcirculation

  8. Simulations of accretion disks in pseudo-complex General Relativity

    NASA Astrophysics Data System (ADS)

    Hess, P. O.; Algalán B., M.; Schönenbach, T.; Greiner, W.

    2015-11-01

    After a summary on pseudo-complex General Relativity (pc-GR), circular orbits and stable orbits in general are discussed, including predictions compared to observations. Using a modified version of a model for accretions disks, presented by Page and Thorne in 1974, we apply the raytracing technique in order to simulate the appearance of an accretion disk as it should be observed in a detector. In pc-GR we predict a dark ring near a very massive, rapidly rotating object.

  9. CORNICE DUCT SYSTEM

    SciTech Connect

    Wayne Place; Chuck Ladd; TC Howard

    2002-12-01

    SYNERGETICS, INC., is in the process of designing, developing, and testing an air handling duct system that integrates the air duct with the cornice trim of interior spaces. The device has the advantage that the normal thermal losses from ducts into unconditioned attics and crawl spaces can be totally eliminated by bringing the ducts internal to the conditioned space. The following report details work conducted in the second budget period to develop the Cornice Duct System into a viable product for use in a variety of residential or small commercial building settings. A full-scale prototype has been fabricated and tested in a laboratory test building. Based on the results of that testing, the prototype design as been refined, fabricated, installed, and extensively tested in a residential laboratory house. The testing indicates that the device gives substantially superior performance to a standard air distribution system in terms of energy performance and thermal comfort. A patent has been submitted, refined based on feedback from the patent office, and resubmitted. Additional refinements to the design will lead to additional claims being added to the patent in the near future. Designs are being finalized for a refined version that will be fabricated and tested in the same residential laboratory house. Work is expected to be complete on this project in April of 2003.

  10. Complex saddle points and the sign problem in complex Langevin simulation

    NASA Astrophysics Data System (ADS)

    Hayata, Tomoya; Hidaka, Yoshimasa; Tanizaki, Yuya

    2016-10-01

    We show that complex Langevin simulation converges to a wrong result within the semiclassical analysis, by relating it to the Lefschetz-thimble path integral, when the path-integral weight has different phases among dominant complex saddle points. Equilibrium solution of the complex Langevin equation forms local distributions around complex saddle points. Its ensemble average approximately becomes a direct sum of the average in each local distribution, where relative phases among them are dropped. We propose that by taking these phases into account through reweighting, we can solve the wrong convergence problem. However, this prescription may lead to a recurrence of the sign problem in the complex Langevin method for quantum many-body systems.

  11. Numerical simulation of overbank processes in topographically complex floodplain environments

    NASA Astrophysics Data System (ADS)

    Nicholas, A. P.; Mitchell, C. A.

    2003-03-01

    This article presents results from an investigation of the hydraulic characteristics of overbank flows on topographically-complex natural river floodplains. A two-dimensional hydraulic model that solves the depth-averaged shallow water form of the Navier-Stokes equations is used to simulate an overbank flow event within a multiple channel reach of the River Culm, Devon, UK. Parameterization of channel and floodplain roughness by the model is evaluated using monitored records of main channel water level and point measurements of floodplain flow depth and unit discharge. Modelled inundation extents and sequences are assessed using maps of actual inundation patterns obtained using a Global Positioning System, observational evidence and ground photographs. Simulation results suggest a two-phase model of flooding at the site, which seems likely to be representative of natural floodplains in general. Comparison of these results with previous research demonstrates the complexity of overbank flows on natural river floodplains and highlights the limitations of laboratory flumes as an analogue for these environments. Despite this complexity, frequency distributions of simulated depth, velocity and unit discharge data closely follow a simple gamma distribution model, and are described by a shape parameter () that exhibits clear systematic trends with changing discharge and floodplain roughness. Such statistical approaches have the potential to provide the basis for computationally efficient flood routing and overbank sedimentation models.

  12. A perspective on modeling and simulation of complex dynamical systems

    NASA Astrophysics Data System (ADS)

    Åström, K. J.

    2011-09-01

    There has been an amazing development of modeling and simulation from its beginning in the 1920s, when the technology was available only at a handful of University groups who had access to a mechanical differential analyzer. Today, tools for modeling and simulation are available for every student and engineer. This paper gives a perspective on the development with particular emphasis on technology and paradigm shifts. Modeling is increasingly important for design and operation of complex natural and man-made systems. Because of the increased use of model based control such as Kalman filters and model predictive control, models are also appearing as components of feedback systems. Modeling and simulation are multidisciplinary, it is used in a wide variety of fields and their development have been strongly influenced by mathematics, numerics, computer science and computer technology.

  13. Structure and dynamics of complex liquid water: Molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    S, Indrajith V.; Natesan, Baskaran

    2015-06-01

    We have carried out detailed structure and dynamical studies of complex liquid water using molecular dynamics simulations. Three different model potentials, namely, TIP3P, TIP4P and SPC-E have been used in the simulations, in order to arrive at the best possible potential function that could reproduce the structure of experimental bulk water. All the simulations were performed in the NVE micro canonical ensemble using LAMMPS. The radial distribution functions, gOO, gOH and gHH and the self diffusion coefficient, Ds, were calculated for all three models. We conclude from our results that the structure and dynamical parameters obtained for SPC-E model matched well with the experimental values, suggesting that among the models studied here, the SPC-E model gives the best structure and dynamics of bulk water.

  14. Scale Model Experiments on Sound Propagation From a Mach 2.5 Cold Nitrogen Jet Flowing Through a Rigid-Walled Duct With a J-Deflector

    NASA Technical Reports Server (NTRS)

    Kandula, Max; Vu, Bruce

    2003-01-01

    The Launch Systems Testbed (LST) represents the evolution of vibroacoustics research and development work performed at NASA John F. Kennedy Space Center (KSC) over the last 15 years. The LST is located at the Launch Equipment Test Facility (LETF) in the KSC industrial complex. The LETF is operated by Sierra Lobo, Inc., as a member of University-Affiliated Technology Development Contract (USTDC) to KSC Spaceport and Engineering and Technology Directorate (YA), with ASRC Aerospace Corporation as a the prime contractor. Trajectory Simulation Mechanism (TSM) is a major component of the LST, developed specifically to simulate nonstationary acoustic loads on launch pad structures, vehicles, and payloads. TSM enhances the capabilities within LST for simulating launch environments of future vehicles. The scaled launch environments will be used to predict the full-scale launch environment via an appropriate scaling procedure. Air Force Research Laboratory (AFRL) has tasked NASA KSC to perform a basic technology test program in support of developing a low-cost clean pad (incorporating passive mitigation techniques) for future launch vehicles. The overall goal of the program is to develop innovative launch exhaust management systems, which effectively reduce launch acoustic environment with innovative duct designs, while eliminating traditional sound suppression water systems. Passive techniques, such as nontraditional duct geometries, resonators, and diffusers, etc., will be investigated. The overall goals are to advance innovative concepts for a clean pad while developing ideas to reduce transmitted sound via investigation and modeling of jet exhaust acoustic and flow field characteristics. The series of tests outlined in this report represent baseline tests and are geared towards defining the acoustic load environment on the TSM pad for open and closed duct configurations. This report summarizes the cold jet acoustic testing for Mach 2.5 supersonic nitrogen jet issuing

  15. Analysis of nephric duct specification in the avian embryo

    PubMed Central

    Attia, Lital; Yelin, Ronit; Schultheiss, Thomas M.

    2012-01-01

    Vertebrate kidney tissue exhibits variable morphology that in general increases in complexity when moving from anterior to posterior along the body axis. The nephric duct, a simple unbranched epithelial tube, is derived in the avian embryo from a rudiment located in the anterior intermediate mesoderm (IM) adjacent to somites 8 to 10. Using quail-chick chimeric embryos, the current study finds that competence to form nephric duct is fixed when IM precursor cells are still located in the primitive streak, significantly before the onset of duct differentiation. In the primitive streak, expression of the gene HoxB4 is associated with prospective duct IM, whereas expression of the more posterior Hox gene HoxA6 is associated with more posterior, non-duct-forming IM. Misexpression of HoxA6, but not of HoxB4, in prospective duct-forming regions of the IM resulted in repression of duct formation, suggesting a mechanism for the restriction of duct formation to the anterior-most IM. The results are discussed with respect to their implications for anterior-posterior patterning of kidney tissue and of mesoderm in general, and for the loss of duct-forming ability in more posterior regions of the IM that has occurred during vertebrate evolution. PMID:23034630

  16. Particle deposition in ventilation ducts

    SciTech Connect

    Sippola, Mark R.

    2002-09-01

    Exposure to airborne particles is detrimental to human health and indoor exposures dominate total exposures for most people. The accidental or intentional release of aerosolized chemical and biological agents within or near a building can lead to exposures of building occupants to hazardous agents and costly building remediation. Particle deposition in heating, ventilation and air-conditioning (HVAC) systems may significantly influence exposures to particles indoors, diminish HVAC performance and lead to secondary pollutant release within buildings. This dissertation advances the understanding of particle behavior in HVAC systems and the fates of indoor particles by means of experiments and modeling. Laboratory experiments were conducted to quantify particle deposition rates in horizontal ventilation ducts using real HVAC materials. Particle deposition experiments were conducted in steel and internally insulated ducts at air speeds typically found in ventilation ducts, 2-9 m/s. Behaviors of monodisperse particles with diameters in the size range 1-16 {micro}m were investigated. Deposition rates were measured in straight ducts with a fully developed turbulent flow profile, straight ducts with a developing turbulent flow profile, in duct bends and at S-connector pieces located at duct junctions. In straight ducts with fully developed turbulence, experiments showed deposition rates to be highest at duct floors, intermediate at duct walls, and lowest at duct ceilings. Deposition rates to a given surface increased with an increase in particle size or air speed. Deposition was much higher in internally insulated ducts than in uninsulated steel ducts. In most cases, deposition in straight ducts with developing turbulence, in duct bends and at S-connectors at duct junctions was higher than in straight ducts with fully developed turbulence. Measured deposition rates were generally higher than predicted by published models. A model incorporating empirical equations based on

  17. Effectiveness of duct cleaning methods on newly installed duct surfaces.

    PubMed

    Holopainen, R; Asikainen, V; Tuomainen, M; Björkroth, M; Pasanen, P; Seppänen, O

    2003-09-01

    Two kinds of air duct cleaning methods, mechanical brushing with different brushes and compressed air cleaning, were compared in the laboratory and in newly built buildings. The ducts were contaminated either with test dust or with dust originated from a construction site. The amount of dust on the duct surface was measured with the vacuum test method and estimated visually before and after the cleaning. In addition, the cleaning times of the different techniques were compared and the amount of residual oil in the ducts was measured in the laboratory test. The brushing methods were more efficient in metal ducts, and compressed air cleaning was more efficient in plastic ducts. After the duct cleaning the mean amount of residual dust on the surface of the ducts was ducts contaminated at construction site and ducts cleaned in the laboratory or in the building site, respectively. The oil residues and the dust stuck onto the oil were difficult to scrape off and remove, and none of the cleaning methods were capable of cleaning the oily duct surfaces efficiently enough. Thus new installations should consist only of oil-free ducts.

  18. On the propagation of long waves in acoustically treated, curved ducts

    NASA Technical Reports Server (NTRS)

    Rostafinski, W.

    1981-01-01

    A two dimensional study is presented on the behavior of long waves in lined, curved ducts. The analysis includes a comparison between the propagation in curved and straight lined ducts. A parametric study was conducted over a range of wall admittance and duct wall separation. The complex eigenvalues of the characteristic equation, which in the case of a curved duct are also the angular wavenumbers, were obtained by successive approximations.

  19. First principles NEXAFS simulations of N-donor Uranyl complexes

    NASA Astrophysics Data System (ADS)

    Pemmaraju, C. D.; Duan, R.; Copping, R.; Jeon, B.; Teat, S. J.; Janousch, M.; Tyliszczak, T.; Canning, A.; Grønbech-Jensen, N.; Shuh, D. K.; Prendergast, D.

    2013-03-01

    The synthesis and study of soft-donor uranyl complexes can provide new insights into the coordination chemistry of non-aqueous [UO]2+ Recently, the tunable N-donor ligand 2,6-Bis(2-benzimidazyl)pyridine (BBP) was employed to produce novel uranyl complexes in which the [UO]2+ cation is ligated by anionic and covalent groups with discrete chemical differences. In this work we investigate the electronic structure of the three such uranyl-BBP complexes via near-edge X-ray absorption fine structure (NEXAFS) experiments and simulations using the eXcited electron and Core-Hole (XCH) approach. The evolution of the structural as well as electronic properties across the three complexes is studied systematically. Computed N K-edge and O K-edge NEXAFS spectra are compared with experiment and spectral features assigned to specific electronic transitions in these complexes. Studying the variations in spectral features arising from N K-edge absorption provides a clear picture of ligand-uranyl bonding in these systems.

  20. Duct thermal performance models for large commercial buildings

    SciTech Connect

    Wray, Craig P.

    2003-10-01

    Despite the potential for significant energy savings by reducing duct leakage or other thermal losses from duct systems in large commercial buildings, California Title 24 has no provisions to credit energy-efficient duct systems in these buildings. A substantial reason is the lack of readily available simulation tools to demonstrate the energy-saving benefits associated with efficient duct systems in large commercial buildings. The overall goal of the Efficient Distribution Systems (EDS) project within the PIER High Performance Commercial Building Systems Program is to bridge the gaps in current duct thermal performance modeling capabilities, and to expand our understanding of duct thermal performance in California large commercial buildings. As steps toward this goal, our strategy in the EDS project involves two parts: (1) developing a whole-building energy simulation approach for analyzing duct thermal performance in large commercial buildings, and (2) using the tool to identify the energy impacts of duct leakage in California large commercial buildings, in support of future recommendations to address duct performance in the Title 24 Energy Efficiency Standards for Nonresidential Buildings. The specific technical objectives for the EDS project were to: (1) Identify a near-term whole-building energy simulation approach that can be used in the impacts analysis task of this project (see Objective 3), with little or no modification. A secondary objective is to recommend how to proceed with long-term development of an improved compliance tool for Title 24 that addresses duct thermal performance. (2) Develop an Alternative Calculation Method (ACM) change proposal to include a new metric for thermal distribution system efficiency in the reporting requirements for the 2005 Title 24 Standards. The metric will facilitate future comparisons of different system types using a common ''yardstick''. (3) Using the selected near-term simulation approach, assess the impacts of

  1. Duct Leakage Repeatability Testing

    SciTech Connect

    Walker, Iain; Sherman, Max

    2014-08-01

    The purpose of this report is to evaluate the repeatability of the three most significant measurement techniques for duct leakage using data from the literature and recently obtained field data. We will also briefly discuss the first two factors. The main question to be answered by this study is to determine if differences in the repeatability of these tests methods is sufficient to indicate that any of these methods is so poor that it should be excluded from consideration as an allowed procedure in codes and standards. The three duct leak measurement methods assessed in this report are the two duct pressurization methods that are commonly used by many practitioners and the DeltaQ technique. These are methods B, C and A, respectively of the ASTM E1554 standard. Although it would be useful to evaluate other duct leak test methods, this study focused on those test methods that are commonly used and are required in various test standards, such as BPI (2010), RESNET (2014), ASHRAE 62.2 (2013), California Title 24 (CEC 2012), DOE Weatherization and many other energy efficiency programs.

  2. 76. DETAIL OF AIRCONDITIONING DUCT BETWEEN PORTABLE PAYLOAD AIRCONDITIONING SYSTEM ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    76. DETAIL OF AIR-CONDITIONING DUCT BETWEEN PORTABLE PAYLOAD AIR-CONDITIONING SYSTEM AND LSB (BLDG. 770) - Vandenberg Air Force Base, Space Launch Complex 3, Launch Pad 3 West, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  3. 54. DETAIL OF AIRCONDITIONING EXHAUST DUCTS ON NORTH FACE OF ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    54. DETAIL OF AIR-CONDITIONING EXHAUST DUCTS ON NORTH FACE OF ERECT UMBILICAL MAST - Vandenberg Air Force Base, Space Launch Complex 3, Launch Pad 3 West, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  4. 23. A detailed interior view of the duct and delivery ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    23. A detailed interior view of the duct and delivery equipment situated in the upper grain conveyor structure of Elevator and Silo Complex B (1932). - Quaker Oats Cereal Factory, Southeast corner of Broadway & Mill Streets, Akron, Summit County, OH

  5. High performance ultrasonic field simulation on complex geometries

    NASA Astrophysics Data System (ADS)

    Chouh, H.; Rougeron, G.; Chatillon, S.; Iehl, J. C.; Farrugia, J. P.; Ostromoukhov, V.

    2016-02-01

    Ultrasonic field simulation is a key ingredient for the design of new testing methods as well as a crucial step for NDT inspection simulation. As presented in a previous paper [1], CEA-LIST has worked on the acceleration of these simulations focusing on simple geometries (planar interfaces, isotropic materials). In this context, significant accelerations were achieved on multicore processors and GPUs (Graphics Processing Units), bringing the execution time of realistic computations in the 0.1 s range. In this paper, we present recent works that aim at similar performances on a wider range of configurations. We adapted the physical model used by the CIVA platform to design and implement a new algorithm providing a fast ultrasonic field simulation that yields nearly interactive results for complex cases. The improvements over the CIVA pencil-tracing method include adaptive strategies for pencil subdivisions to achieve a good refinement of the sensor geometry while keeping a reasonable number of ray-tracing operations. Also, interpolation of the times of flight was used to avoid time consuming computations in the impulse response reconstruction stage. To achieve the best performance, our algorithm runs on multi-core superscalar CPUs and uses high performance specialized libraries such as Intel Embree for ray-tracing, Intel MKL for signal processing and Intel TBB for parallelization. We validated the simulation results by comparing them to the ones produced by CIVA on identical test configurations including mono-element and multiple-element transducers, homogeneous, meshed 3D CAD specimens, isotropic and anisotropic materials and wave paths that can involve several interactions with interfaces. We show performance results on complete simulations that achieve computation times in the 1s range.

  6. Effectiveness of duct sealing and duct insulation in multi-family buildings. Final report

    SciTech Connect

    Karins, N.H.; Tuluca, A.; Modera, M.

    1997-07-01

    This research investigated the cost-effectiveness of sealing and insulating the accessible portions of duct systems exposed to unconditioned areas in multifamily housing. Airflow and temperature measurements were performed in 25 apartments served by 10 systems a 9 multi-family properties. The measurements were performed before and after each retrofit, and included apartment airflow (supply and return), duct system temperatures, system fan flow and duct leakage area. The costs for each retrofit were recorded. The data were analyzed and used to develop a prototypical multifamily house. This prototype was used in energy simulations (DOE-2.1E) and air infiltration simulations (COMIS 2.1). The simulations were performed for two climates: New York City and Albany. In each climate, one simulation was performed assuming the basement was tight, and another assuming the basement was leaky. Simulation results and average retrofit costs were used to calculate cost-effectiveness. The results of the analysis indicate that sealing leaks of the accessible ductwork is cost-effective under all conditions simulated (simple payback was between 3 and 4 years). Insulating the accessible ductwork, however, is only cost-effective for buildings with leaky basement, in both climates (simple paybacks were less than 5 years). The simple payback period for insulating the ducts in buildings with tight basements was greater than 10 years, the threshold of cost-effectiveness for this research. 13 refs., 5 figs., 27 tabs.

  7. Simulation and Processing Seismic Data in Complex Geological Models

    NASA Astrophysics Data System (ADS)

    Forestieri da Gama Rodrigues, S.; Moreira Lupinacci, W.; Martins de Assis, C. A.

    2014-12-01

    Seismic simulations in complex geological models are interesting to verify some limitations of seismic data. In this project, different geological models were designed to analyze some difficulties encountered in the interpretation of seismic data. Another idea is these data become available for LENEP/UENF students to test new tools to assist in seismic data processing. The geological models were created considering some characteristics found in oil exploration. We simulated geological medium with volcanic intrusions, salt domes, fault, pinch out and layers more distante from surface (Kanao, 2012). We used the software Tesseral Pro to simulate the seismic acquisitions. The acquisition geometries simulated were of the type common offset, end-on and split-spread. (Figure 1) Data acquired with constant offset require less processing routines. The processing flow used with tools available in Seismic Unix package (for more details, see Pennington et al., 2005) was geometric spreading correction, deconvolution, attenuation correction and post-stack depth migration. In processing of the data acquired with end-on and split-spread geometries, we included velocity analysis and NMO correction routines. Although we analyze synthetic data and carefully applied each processing routine, we can observe some limitations of the seismic reflection in imaging thin layers, great surface depth layers, layers with low impedance contrast and faults.

  8. Real-time complex cognitive surgical simulator with testing.

    PubMed

    Oliker, Aaron; Cutting, Court B

    2009-01-01

    One of the greatest challenges facing surgical education is the inability to effectively test a surgeon's cognitive knowledge of a complex open surgery procedure. Cognitive knowledge is tested by paper, and more recently, computer-based and oral exams. Although these tools are used for testing in surgical education, they have been limited by providing a two-dimensional static representation of complex and dynamic, three-dimensional procedures.A three-dimensional interactive surgical simulator that will engage the surgeon, ask questions, test competency and provide feedback has the potential to revolutionize surgical education. Internet connectivity allows for rapid deployment of surgical modules, networked testing formats, data aggregation, comparative analysis and guided tutorials. Combined with the approval of a surgical society, this platform has the potential to set measurable quantitative surgical standards.

  9. Complexity analysis of simulations with analytic bond-order potentials

    NASA Astrophysics Data System (ADS)

    Teijeiro, Carlos; Hammerschmidt, Thomas; Seiser, Bernhard; Drautz, Ralf; Sutmann, Godehard

    2016-02-01

    The modeling of materials at the atomistic level with interatomic potentials requires a reliable description of different bonding situations and relevant system properties. For this purpose, analytic bond-order potentials (BOPs) provide a systematic and robust approximation to density functional theory (DFT) and tight binding (TB) calculations at reasonable computational cost. This paper presents a formal analysis of the computational complexity of analytic BOP simulations, based on a detailed assessment of the most computationally intensive parts. Different implementation algorithms are presented alongside with optimizations for efficient numerical processing. The theoretical complexity study is complemented by systematic benchmarks of the scalability of the algorithms with increasing system size and accuracy level of the BOP approximation. Both approaches demonstrate that the computation of atomic forces in analytic BOPs can be performed with a similar scaling as the computation of atomic energies.

  10. Black-box calibration for complex-system simulation.

    PubMed

    Forrester, Alexander I J

    2010-08-13

    Predicting or measuring the output of complex systems is an important and challenging part of many areas of science. If multiple observations are required for parameter studies and optimization, accurate, computationally intensive predictions or expensive experiments are intractable. This paper looks at the use of Gaussian-process-based correlations to correct simple computer models with sparse data from physical experiments or more complex computer models. In essence, physics-based computer codes and experiments are replaced by fast problem-specific statistics-based codes. Two aerodynamic design examples are presented. First, a cheap two-dimensional potential-flow solver is calibrated to represent the flow over the wing of an unmanned air vehicle. The rear wing of a racing car is then optimized using rear-wing simulations calibrated to include the effects of the flow over the whole car.

  11. Cornice Duct System

    SciTech Connect

    Wayne Place; Chuck Ladd

    2004-10-29

    SYNERGETICS, INC., has designed, developed, and tested an air handling duct system that integrates the air duct with the cornice trim of interior spaces. The device has the advantage that the normal thermal losses from ducts into unconditioned attics and crawl spaces can be totally eliminated by bringing the ducts internal to the conditioned space. The following report details work conducted in the second budget period to develop the Cornice Duct System into a viable product for use in a variety of residential or small commercial building settings. A full-scale prototype has been fabricated and tested in a laboratory test building at the Daylighting Facility at North Carolina State University., Based on the results of that testing, the prototype design as been refined, fabricated, installed, and extensively tested in a residential laboratory house. The testing indicates that the device gives substantially superior performance to a standard air distribution system in terms of energy performance and thermal comfort. Patent Number US 6,511,373 B2 has been granted on the version of the device installed and tested in the laboratory house. (A copy of that patent is attached.) Refinements to the device have been carried through two additional design iterations, with a particular focus on reducing installation time and cost and refining the air control system. These new designs have been fabricated and tested and show substantial promise. Based on these design and testing iterations, a final design is proposed as part of this document. That final design is the basis for a continuation in part currently being filed with the U.5, Patent office.

  12. Complexity of precipitation patterns: Comparison of simulation with experiment.

    PubMed

    Polezhaev, A. A.; Muller, S. C.

    1994-12-01

    Numerical simulations show that a simple model for the formation of Liesegang precipitation patterns, which takes into account the dependence of nucleation and particle growth kinetics on supersaturation, can explain not only simple patterns like parallel bands in a test tube or concentric rings in a petri dish, but also more complex structural features, such as dislocations, helices, "Saturn rings," or patterns formed in the case of equal initial concentrations of the source substances. The limits of application of the model are discussed. (c) 1994 American Institute of Physics.

  13. A comparative study of the differentiation and involution of the Mullerian duct and Wolffian duct in the male and female fetal mouse.

    PubMed

    Dyche, W J

    1979-11-01

    The present investigation has examined the ultrastructural differentiation of the genital ducts of both sexes of fetal mice. The emphasis of observations was placed on the phenomenon of morphogenetic cytolysis, particularly during the critical periods of Wolffian duct stabilization and Mullerian duct involution. Both developing and regressing genital ducts evidence extensive cytolysis. Autophagy appears to be the mechanism of morphogenetic changes in the developing male Wolffian duct. Autophagy, heterophagy, and degeneration in situ are all prominent cytolytic activities in female Wollfian duct involution. The developing female Mullerian duct undergoes extensive morphogenetic remodeling by the mechanisms of autophagy, heterophagy, and degeneration in situ. In the male Mullerian duct, autophagy, heterophagy, and degeneration in situ are also prominent. In addition, whole degenerated epithelial cells are extruded from the duct early in regression which may be realted to the transformation of periductal mesenchymal cells into an "epithelioid cell cuff" which does not form around the regressing Wolffian duct. The formation of this mesenchymal condensation surrounding the duct is also accompanied by the protrusion of Mullerian epithelial cell cytoplasm into the mesenchymal cells. These observations may evidence a complex epithelial-mesenchymal interaction occurring during male Mullerian duct involution.

  14. Molecular dynamics simulations of DNA-polycation complexes

    NASA Astrophysics Data System (ADS)

    Ziebarth, Jesse; Wang, Yongmei

    2008-03-01

    A necessary step in the preparation of DNA for use in gene therapy is the packaging of DNA with a vector that can condense DNA and provide protection from degrading enzymes. Because of the immunoresponses caused by viral vectors, there has been interest in developing synthetic gene therapy vectors, with polycations emerging as promising candidates. Molecular dynamics simulations of the DNA duplex CGCGAATTCGCG in the presence of 20 monomer long sequences of the polycations, poly-L-lysine (PLL) and polyethyleneimine (PEI), with explicit counterions and TIP3P water, are performed to provide insight into the structure and formation of DNA polyplexes. After an initial separation of approximately 50 å, the DNA and polycation come together and form a stable complex within 10 ns. The DNA does not undergo any major structural changes upon complexation and remains in the B-form. In the formed complex, the charged amine groups of the polycation mainly interact with DNA phosphate groups, and rarely occupy electronegative sites in either the major or minor grooves. Differences between complexation with PEI and PLL will be discussed.

  15. CHALLENGES IN STUDIES OF COMPLEX PHENOMENA VIA SIMULATION

    SciTech Connect

    Moore, L. M.

    2001-01-01

    Computer codes are being developed to model many complex phenomena. Use of these models to inform a process they are meant to simulate poses many challenges, including design of computer experiments and statistical analysis of simulation results. Often these computer simulations have relatively high dimensional input or output, so one of the first goals of experimentation is to reduce to a manageable subset of inputs that have greater potential impact on some one or few output summaries deemed of interest. Variance-based methods are useful for determining variables having substantive influence on the experimental results, but any structure of underlying relationships between inputs and outputs is also of interest. Design of computer experiments from which information can be obtained with reasonable efficiency is necessary. This paper considers these Challenges via illustration. A study is considered involving the performance of a simulation of a series of actuated traffic controls and vehicle detectors. In addition to inputs associated with control of the series of traffic signals, there are inputs associated with demand. Ideally, settings are sought for the control parameters that lead to good performance of the simulation across a range of realistic demand possibilities. Good performance of the simulation is based on how realistic is the resulting traffic flow as measured by such summaries as average time stopped or average travel time by vehicles entering the control area. Although the main goal of this study is to determine an 'optimal' set of control parameter values, simulation experiments are undertaken to generate data that allow possible capture of dynamics of interest and sensitivity of outputs to sets of input parameters. In the following background section, some more details, although still a simplified description in layman terms, of the computer model evaluation project is presented. In section 3, an initial, exploratory evaluation of the simulation

  16. Effect of flow on the acoustic resonances of an open-ended duct

    NASA Technical Reports Server (NTRS)

    Ingard, U.; Singhal, V. K.

    1975-01-01

    The effect of flow on the acoustic resonances of an open-ended, hard-walled duct is analyzed. The flow produces acoustic losses both in the interior of the duct and at the ends. Unless the duct is very long, typically 100 times the diameter, the losses at the ends dominate. At flow Mach numbers in excess of 0.4 the losses are so large that axial duct resonances are almost completely suppressed. The plane-wave Green's function for the duct with flow is expressed in terms of the (experimentally determined) pressure reflection coefficients at the ends of the duct, and the flow dependence of the complex eigenfrequencies of the duct is obtained. Some observations concerning the noise produced by the flow in the duct are also reported.

  17. Field theoretic simulations of the interfacial properties of complex coacervates

    NASA Astrophysics Data System (ADS)

    Riggleman, Robert; Fredrickson, Glenn

    2011-03-01

    Many biological processes and emerging technologies, such as wet adhesives and biosensors, rely on the association between oppositely charged polyelectrolytes. Such association is driven not only by the electrostatic interactions between the polyelectrolytes, but there is also a substantial entropy gain associated with counterion release upon complexation. In some cases, the association between oppositely charged polymers can lead to a solid precipitate while others can result in a fluid phase rich in polyelectrolytes (coacervate phase) coexisting with a polyelectrolyte-dilute solvent phase. For many of the applications seeking to exploit coacervation, characterization of the interface between the solvent phase and the coacervate is of paramount importance. In this talk, we will present the results of field-theoretic simulations for a coarse-grained polyelectrolyte model that exhibits complex coacervation. Our simulations sample the fully-fluctuating fields in three-dimensions and provide a detailed characterization of the interface between the solvent and the coacervate phase for symmetric polyelectrolytes (where both the polycations and the polyanions carry identical charge densities) as a function of salt concentration and strength of the electrostatic fields. Finally, we characterize the interfacial properties for a select set of asymmetric conditions.

  18. Building Blocks for Reliable Complex Nonlinear Numerical Simulations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Mansour, Nagi N. (Technical Monitor)

    2002-01-01

    This talk describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

  19. Building Blocks for Reliable Complex Nonlinear Numerical Simulations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    2005-01-01

    This chapter describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations.

  20. Building Blocks for Reliable Complex Nonlinear Numerical Simulations. Chapter 2

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Mansour, Nagi N. (Technical Monitor)

    2001-01-01

    This chapter describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

  1. FDTD simulations of the losses in complex electromagnetic cavities

    NASA Astrophysics Data System (ADS)

    Moglie, Franco; Bastianelli, Luca; Mariani Primiani, Valter; EMC Team

    The simulations of complex electromagnetic cavities like reverberation chambers (RC) require a massive parallel computer to accurately account the complex three dimensional geometry. A parallel finite-difference time-domain (FDTD) code optimized for a massive parallel computer could lose its efficiency if the losses are concentrated in some part of the computation volume. For example, the simulation of the finite conductivity of the cavity metallic walls requires a significant overcharge for the computer processors that handle the boundary part of the global computational domain. Our in-house parallel FDTD code replaces the volumetric losses in every cell of the grid instead of the Ohmic losses on the walls. In this contribution, we evaluate the difference in the field distribution inside the cavity due to this replacement. Moreover, we compare the common RC statistics like the number of stirrer uncorrelated positions and the field uniformity, and the resources required for the two methods are reported and discussed. Finally, the numerical results will be compared with the measurements of the RC in our laboratory with a volume of 60 m3 and plated steel walls in the frequency range 0.2-1.0 GHz, that includes the transition from the undermoded to the overmoded region. We acknowledge PRACE for awarding us access to resource FERMI based in Italy at CINECA.

  2. GPU-enabled molecular dynamics simulations of ankyrin kinase complex

    NASA Astrophysics Data System (ADS)

    Gautam, Vertika; Chong, Wei Lim; Wisitponchai, Tanchanok; Nimmanpipug, Piyarat; Zain, Sharifuddin M.; Rahman, Noorsaadah Abd.; Tayapiwatana, Chatchai; Lee, Vannajan Sanghiran

    2014-10-01

    The ankyrin repeat (AR) protein can be used as a versatile scaffold for protein-protein interactions. It has been found that the heterotrimeric complex between integrin-linked kinase (ILK), PINCH, and parvin is an essential signaling platform, serving as a convergence point for integrin and growth-factor signaling and regulating cell adhesion, spreading, and migration. Using ILK-AR with high affinity for the PINCH1 as our model system, we explored a structure-based computational protocol to probe and characterize binding affinity hot spots at protein-protein interfaces. In this study, the long time scale dynamics simulations with GPU accelerated molecular dynamics (MD) simulations in AMBER12 have been performed to locate the hot spots of protein-protein interaction by the analysis of the Molecular Mechanics-Poisson-Boltzmann Surface Area/Generalized Born Solvent Area (MM-PBSA/GBSA) of the MD trajectories. Our calculations suggest good binding affinity of the complex and also the residues critical in the binding.

  3. Numerical Simulations of High-Speed Flows Over Complex Geometries

    NASA Astrophysics Data System (ADS)

    Greene, Patrick Timothy

    The effects of surface roughness on the stability of hypersonic flow are of great importance to hypersonic vehicles. Surface roughness can greatly alter boundary-layer flow and cause transition to turbulence to occur much earlier compared to a smooth wall, which will result in a significant increase of wall heating and skin friction drag. The work presented in this dissertation was motivated by a desire to study the effects of isolated roughness elements on the stability of hypersonic boundary layers. A new code was developed which can perform high-order direct numerical simulations of high-speed flows over arbitrary geometries. A fifth-order hybrid weighted essentially non-oscillatory scheme was implemented to capture any steep gradients in the flow created by the geometries. The simulations are carried out on Cartesian grids with the geometries imposed by a third-order cut-cell method. A multi-zone refinement method is also implemented to provide extra resolution at locations with expected complex physics. The combination results in a globally fourth-order scheme. Results for two-dimensional and three-dimensional test cases show good agreement with previous results and will be presented. Results confirming the code's high order of convergence will also be shown. Two-dimensional simulations of flow over complex geometries will be presented to demonstrate the code's capabilities. Results for Mach 6 flow over a three-dimensional cylindrical roughness element will also be presented. The results will show that the code is a promising tool for the study of hypersonic roughness-induced transition.

  4. Numerical simulation of radiation fog in complex terrain

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Musson-Genon, L.; Carissimo, B.; Dupont, E.

    2009-09-01

    The interest for micro-scale modeling of the atmosphere is growing for environmental applications related, for example, to energy production, transport and urban development. The turbulence in the stable layers where pollutant dispersion is low and can lead to strong pollution events. This could be further complicated by the presence of clouds or fog and is specifically difficult in urban or industrial area due to the presence of buildings. In this context, radiation fog formation and dissipation over complex terrain were therefore investigated with a state-of-the-art model. This study is divided into two phases. The first phase is a pilot stage, which consist of employing a database from the ParisFog campaign which took place in the south of Paris during winter 2006-07 to assess the ability of the cloud model to reproduce the detailed structure of radiation fog. The second phase use the validated model for the study of influence of complex terrain on fog evolution. Special attention is given to the detailed and complete simulations and validation technique used is to compare the simulated results using the 3D cloud model of computational fluid dynamical software Code_Saturne with one of the best collected in situ data during the ParisFog campaign. Several dynamical, microphysical parameterizations and simulation conditions have been described. The resulting 3D cloud model runs at a horizontal resolution of 30 m and a vertical resolution comparable to the 1D model. First results look very promising and are able to reproduce the spatial distribution of fog. The analysis of the behavior of the different parameterized physical processes suggests that the subtle balance between the various processes is achieved.

  5. Complicated bile duct stones

    PubMed Central

    Roy, Ashwin; Martin, Derrick

    2013-01-01

    Common bile duct stones (CBDSs) are solid deposits that can either form within the gallbladder or migrate to the common bile duct (CBD), or form de novo in the biliary tree. In the USA around 15% of the population have gallstones and of these, 3% present with symptoms annually. Because of this, there have been major advancements in the management of gallstones and related conditions. Management is based on the patient's risk profile; young and healthy patients are likely to be recommended for surgery and elderly patients with comorbidities are usually recommended for endoscopic procedures. Imaging of gallstones has advanced in the last 30 years with endoscopic retrograde cholangiopancreatography evolving from a diagnostic to a therapeutic procedure in removing CBDSs. We present a complicated case of a patient with a CBDS and periampullary diverticulum and discuss the techniques used to diagnose and remove the stone from the biliary system. PMID:23946532

  6. Mediastinal thoracic duct cyst.

    PubMed Central

    Gowar, F J

    1978-01-01

    A case of mediastinal thoracic duct cyst is described; it is believed to be the first to be reported in Britain. Five surgically treated cases have been reported but in none was the diagnosis made before operation. Symptoms are caused by pressure of the cyst on the trachea and oesophagus and my be aggravted by eating a fatty meal. Differential diagnosis from other mediastinal tumours, especially bronchogenic cyst and neurofibroma, could perhaps be established before operation by lymphangiography. Images PMID:746509

  7. Rhinosporidiosis of parotid duct.

    PubMed

    Sivapathasundharam, B; Saraswathi, T R; Manjunath, K; Sriram, G

    2009-01-01

    Rhinosporidiosis is a benign chronic granulomatous infection caused by Rhinosporidium seeberi. Rhinosporidiosis is endemic in south Asia, notably in southern India and Sri Lanka. Majority of the cases have been reported to occur in upper respiratory sites, notably anterior nares, nasal cavity, nasopharynx, larynx and soft palate. Only two rare cases of involvement of parotid duct, have been reported in literature. Hence, this case will probably be the third to be reported.

  8. Numerical Simulations of Complex Three-Dimensional Viscous Flows

    NASA Astrophysics Data System (ADS)

    Steinthorsson, Erlendur

    Four issues related to accurate numerical simulations of three-dimensional, viscous, compressible flows in complex -shaped geometries are addressed. First, a new formulation of the "compressible" Navier-Stokes equations for rotating reference frames was developed, which can easily be implemented into existing computer codes. The equations developed have the same form as the governing equations for inertial reference frames except for source terms that account for the effects of the rotation of the reference frame. The governing equations were tested by simulating the flow of air through a coolant passage inside a radial turbine blade. Second, new techniques were developed to enhance control over grid-point distribution in algebraic grid generation. These techniques are (a) a modified way to control orthogonality of the grid at boundaries, (b) a new interpolation function based on tension splines that improves control over grid-line curvature, and (c) multidimensional stretching functions that allow arbitrary clustering of grid points. Also, compatibility conditions were identified, which must be satisfied by the data that define the geometry and control grid-point distribution. The new techniques were used to generate a grid system for a complex-shaped coolant passage geometry with U-bends and pin fins. Third, several iterative techniques were developed for reducing or eliminating approximate-factorization errors in implicit finite-difference and finite-volume methods. The convergence of the iteration processes was analyzed. Also analyzed was the stability of the techniques when used with the ADI three-factored scheme. The techniques were tested by applying them to stabilize and accelerate convergence in the ADI three-factored scheme for the linear advection equation. Finally, three flux-vector splitting schemes were tested in a simulation of complex, low Mach number, viscous flow. The artificial dissipation created by these schemes at low Mach numbers was analyzed

  9. Numerical Methods and Simulations of Complex Multiphase Flows

    NASA Astrophysics Data System (ADS)

    Brady, Peter

    Multiphase flows are an important part of many natural and technological phenomena such as ocean-air coupling (which is important for climate modeling) and the atomization of liquid fuel jets in combustion engines. The unique challenges of multiphase flow often make analytical solutions to the governing equations impossible and experimental investigations very difficult. Thus, high-fidelity numerical simulations can play a pivotal role in understanding these systems. This dissertation describes numerical methods developed for complex multiphase flows and the simulations performed using these methods. First, the issue of multiphase code verification is addressed. Code verification answers the question "Is this code solving the equations correctly?" The method of manufactured solutions (MMS) is a procedure for generating exact benchmark solutions which can test the most general capabilities of a code. The chief obstacle to applying MMS to multiphase flow lies in the discontinuous nature of the material properties at the interface. An extension of the MMS procedure to multiphase flow is presented, using an adaptive marching tetrahedron style algorithm to compute the source terms near the interface. Guidelines for the use of the MMS to help locate coding mistakes are also detailed. Three multiphase systems are then investigated: (1) the thermocapillary motion of three-dimensional and axisymmetric drops in a confined apparatus, (2) the flow of two immiscible fluids completely filling an enclosed cylinder and driven by the rotation of the bottom endwall, and (3) the atomization of a single drop subjected to a high shear turbulent flow. The systems are simulated numerically by solving the full multiphase Navier-Stokes equations coupled to the various equations of state and a level set interface tracking scheme based on the refined level set grid method. The codes have been parallelized using MPI in order to take advantage of today's very large parallel computational

  10. The Eemian climate simulated by two models of different complexities

    NASA Astrophysics Data System (ADS)

    Nikolova, Irina; Yin, Qiuzhen; Berger, Andre; Singh, Umesh; Karami, Pasha

    2013-04-01

    The Eemian period, also known as MIS-5, experienced warmer than today climate, reduction in ice sheets and important sea-level rise. These interesting features have made the Eemian appropriate to evaluate climate models when forced with astronomical and greenhouse gas forcings different from today. In this work, we present the simulated Eemian climate by two climate models of different complexities, LOVECLIM (LLN Earth system model of intermediate complexity) and CCSM3 (NCAR atmosphere-ocean general circulation model). Feedbacks from sea ice, vegetation, monsoon and ENSO phenomena are discussed to explain the regional similarities/dissimilarities in both models with respect to the pre-industrial (PI) climate. Significant warming (cooling) over almost all the continents during boreal summer (winter) leads to a largely increased (reduced) seasonal contrast in the northern (southern) hemisphere, mainly due to the much higher (lower) insolation received by the whole Earth in boreal summer (winter). The arctic is warmer than at PI through the whole year, resulting from its much higher summer insolation and its remnant effect in the following fall-winter through the interactions between atmosphere, ocean and sea ice. Regional discrepancies exist in the sea-ice formation zones between the two models. Excessive sea-ice formation in CCSM3 results in intense regional cooling. In both models intensified African monsoon and vegetation feedback are responsible for the cooling during summer in North Africa and on the Arabian Peninsula. Over India precipitation maximum is found further west, while in Africa the precipitation maximum migrates further north. Trees and grassland expand north in Sahel/Sahara, trees being more abundant in the results from LOVECLIM than from CCSM3. A mix of forest and grassland occupies continents and expand deep in the high northern latitudes in line with proxy records. Desert areas reduce significantly in Northern Hemisphere, but increase in North

  11. Primary salivary duct carcinoma arising from the Stensen duct.

    PubMed

    Noda, Kenji; Hirano, Takashi; Okamoto, Tomoyo; Suzuki, Masashi

    2016-09-01

    This report describes a salivary duct carcinoma (SDC) arising from the extraglandular portion of the Stensen duct. The patient was a 56-year-old man who presented with a palpable, elastic, hard mass without tenderness in the right cheek. Computed tomography revealed a tumor of the extraglandular portion of the Stensen duct. Supraomohyoid right neck dissection and total right parotidectomy were performed, and the histologic diagnosis was SDC of the Stensen duct. Postoperatively, the patient received no additional treatment. Neither recurrence nor metastasis was observed during 4 years of follow-up examination. SDC of the Stensen duct is extremely rare. To our knowledge, there is no report that describes primary SDC arising from that location. We also believe this is the first report that describes the clinical course of primary SDC arising from a Stensen duct. PMID:27657321

  12. MOLECULAR SIMULATION OF PHASE EQUILIBRIA FOR COMPLEX FLUIDS

    SciTech Connect

    Athanassios Z. Panagiotopoulos

    2009-09-09

    The general area of this project was the development and application of novel molecular simulation methods for prediction of thermodynamic and structural properties of complex polymeric, surfactant and ionic fluids. Over this project period, we have made considerable progress in developing novel algorithms to meet the computational challenges presented by the strong or long-range interactions in these systems and have generated data for well-defined mod-els that can be used to test theories and compare to experimental data. Overall, 42 archival papers and many invited and contributed presentations and lectures have been based on work supported by this project. 6 PhD, 1 M.S. and 2 postdoctoral students have been associated with this work, as listed in the body of the report.

  13. Stereoscopy for visual simulation of materials of complex appearance

    NASA Astrophysics Data System (ADS)

    da Graça, Fernando; Paljic, Alexis; Lafon-Pham, Dominique; Callet, Patrick

    2014-03-01

    The present work studies the role of stereoscopy on perceived surface aspect of computer generated complex materials. The objective is to investigate if, and how, the additional information conveyed by the binocular vision affects the observer judgment on the evaluation of flake density in an effect paint simulation. We have set up a heuristic flake model with a Voronoi: modelization of flakes. The model was implemented in our rendering engine using global illumination, ray tracing, with an off axis-frustum method for the calculation of stereo images. We conducted a user study based on a flake density discrimination task to determine perception thresholds (JNDs). Results show that stereoscopy slightly improves density perception. We propose an analysis methodology based on granulometry. This allows for a discussion of the results on the basis of scales of observation.

  14. Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations.

    PubMed

    Gong, Linchen; Zhou, Xin

    2009-08-01

    Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. The nondegenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of metastable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into nontransition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.

  15. Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations

    NASA Astrophysics Data System (ADS)

    Gong, Linchen; Zhou, Xin

    2009-08-01

    Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. The nondegenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of metastable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into nontransition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.

  16. Efficient stochastic simulations of complex reaction networks on surfaces.

    PubMed

    Barzel, Baruch; Biham, Ofer

    2007-10-14

    Surfaces serve as highly efficient catalysts for a vast variety of chemical reactions. Typically, such surface reactions involve billions of molecules which diffuse and react over macroscopic areas. Therefore, stochastic fluctuations are negligible and the reaction rates can be evaluated using rate equations, which are based on the mean-field approximation. However, in case that the surface is partitioned into a large number of disconnected microscopic domains, the number of reactants in each domain becomes small and it strongly fluctuates. This is, in fact, the situation in the interstellar medium, where some crucial reactions take place on the surfaces of microscopic dust grains. In this case rate equations fail and the simulation of surface reactions requires stochastic methods such as the master equation. However, in the case of complex reaction networks, the master equation becomes infeasible because the number of equations proliferates exponentially. To solve this problem, we introduce a stochastic method based on moment equations. In this method the number of equations is dramatically reduced to just one equation for each reactive species and one equation for each reaction. Moreover, the equations can be easily constructed using a diagrammatic approach. We demonstrate the method for a set of astrophysically relevant networks of increasing complexity. It is expected to be applicable in many other contexts in which problems that exhibit analogous structure appear, such as surface catalysis in nanoscale systems, aerosol chemistry in stratospheric clouds, and genetic networks in cells.

  17. Constant-complexity stochastic simulation algorithm with optimal binning

    SciTech Connect

    Sanft, Kevin R.; Othmer, Hans G.

    2015-08-21

    At the molecular level, biochemical processes are governed by random interactions between reactant molecules, and the dynamics of such systems are inherently stochastic. When the copy numbers of reactants are large, a deterministic description is adequate, but when they are small, such systems are often modeled as continuous-time Markov jump processes that can be described by the chemical master equation. Gillespie’s Stochastic Simulation Algorithm (SSA) generates exact trajectories of these systems, but the amount of computational work required for each step of the original SSA is proportional to the number of reaction channels, leading to computational complexity that scales linearly with the problem size. The original SSA is therefore inefficient for large problems, which has prompted the development of several alternative formulations with improved scaling properties. We describe an exact SSA that uses a table data structure with event time binning to achieve constant computational complexity with respect to the number of reaction channels for weakly coupled reaction networks. We present a novel adaptive binning strategy and discuss optimal algorithm parameters. We compare the computational efficiency of the algorithm to existing methods and demonstrate excellent scaling for large problems. This method is well suited for generating exact trajectories of large weakly coupled models, including those that can be described by the reaction-diffusion master equation that arises from spatially discretized reaction-diffusion processes.

  18. Constant-complexity stochastic simulation algorithm with optimal binning

    NASA Astrophysics Data System (ADS)

    Sanft, Kevin R.; Othmer, Hans G.

    2015-08-01

    At the molecular level, biochemical processes are governed by random interactions between reactant molecules, and the dynamics of such systems are inherently stochastic. When the copy numbers of reactants are large, a deterministic description is adequate, but when they are small, such systems are often modeled as continuous-time Markov jump processes that can be described by the chemical master equation. Gillespie's Stochastic Simulation Algorithm (SSA) generates exact trajectories of these systems, but the amount of computational work required for each step of the original SSA is proportional to the number of reaction channels, leading to computational complexity that scales linearly with the problem size. The original SSA is therefore inefficient for large problems, which has prompted the development of several alternative formulations with improved scaling properties. We describe an exact SSA that uses a table data structure with event time binning to achieve constant computational complexity with respect to the number of reaction channels for weakly coupled reaction networks. We present a novel adaptive binning strategy and discuss optimal algorithm parameters. We compare the computational efficiency of the algorithm to existing methods and demonstrate excellent scaling for large problems. This method is well suited for generating exact trajectories of large weakly coupled models, including those that can be described by the reaction-diffusion master equation that arises from spatially discretized reaction-diffusion processes.

  19. Modeling complexity in simulating pesticide fate in a rice paddy.

    PubMed

    Luo, Yuzhou; Spurlock, Frank; Gill, Sheryl; Goh, Kean S

    2012-12-01

    Modeling approaches for pesticide regulation are required to provide generic and conservative evaluations on pesticide fate and exposure based on limited data. This study investigates the modeling approach for pesticide simulation in a rice paddy, by developing a component-based modeling system and characterizing the dependence of pesticide concentrations on individual fate processes. The developed system covers the modeling complexity from a "base model" which considers only the essential processes of water management, water-sediment exchange, and aquatic dissipation, to a "full model" for all commonly simulated processes. Model capability and performance were demonstrated by case studies with 5 pesticides in 13 rice fields of the California's Sacramento Valley. With registrant-submitted dissipation half-lives, the base model conservatively estimated dissolved pesticide concentrations within one order of magnitude of measured data. The full model simulations were calibrated to characterize the key model parameters and processes varying with chemical properties and field conditions. Metabolism in water was identified as an important process in predicting pesticide fate in all tested rice fields. Relative contributions of metabolism, hydrolysis, direct aquatic photolysis, and volatilization to the overall pesticide dissipation were significantly correlated to the model sensitivities to the corresponding physicochemical properties and half-lives. While modeling results were sensitive to metabolism half-lives in water for all fields, significances of metabolism in sediment and water-sediment exchange were only observed for pesticides with pre-flooding applications or with rapid dissipation in sediment. Results suggest that, in addition to the development of regional modeling scenarios for rice production, the registrant-submitted maximum values for the aquatic dissipation half-lives could be used for evaluating pesticide for regulatory purposes.

  20. Global-Scale Hydrology: Simple Characterization of Complex Simulation

    NASA Technical Reports Server (NTRS)

    Koster, Randal D.

    1999-01-01

    Atmospheric general circulation models (AGCMS) are unique and valuable tools for the analysis of large-scale hydrology. AGCM simulations of climate provide tremendous amounts of hydrological data with a spatial and temporal coverage unmatched by observation systems. To the extent that the AGCM behaves realistically, these data can shed light on the nature of the real world's hydrological cycle. In the first part of the seminar, I will describe the hydrological cycle in a typical AGCM, with some emphasis on the validation of simulated precipitation against observations. The second part of the seminar will focus on a key goal in large-scale hydrology studies, namely the identification of simple, overarching controls on hydrological behavior hidden amidst the tremendous amounts of data produced by the highly complex AGCM parameterizations. In particular, I will show that a simple 50-year-old climatological relation (and a recent extension we made to it) successfully predicts, to first order, both the annual mean and the interannual variability of simulated evaporation and runoff fluxes. The seminar will conclude with an example of a practical application of global hydrology studies. The accurate prediction of weather statistics several months in advance would have tremendous societal benefits, and conventional wisdom today points at the use of coupled ocean-atmosphere-land models for such seasonal-to-interannual prediction. Understanding the hydrological cycle in AGCMs is critical to establishing the potential for such prediction. Our own studies show, among other things, that soil moisture retention can lead to significant precipitation predictability in many midlatitude and tropical regions.

  1. Designing Better Scaffolding in Teaching Complex Systems with Graphical Simulations

    NASA Astrophysics Data System (ADS)

    Li, Na

    Complex systems are an important topic in science education today, but they are usually difficult for secondary-level students to learn. Although graphic simulations have many advantages in teaching complex systems, scaffolding is a critical factor for effective learning. This dissertation study was conducted around two complementary research questions on scaffolding: (1) How can we chunk and sequence learning activities in teaching complex systems? (2) How can we help students make connections among system levels across learning activities (level bridging)? With a sample of 123 seventh-graders, this study employed a 3x2 experimental design that factored sequencing methods (independent variable 1; three levels) with level-bridging scaffolding (independent variable 2; two levels) and compared the effectiveness of each combination. The study measured two dependent variables: (1) knowledge integration (i.e., integrating and connecting content-specific normative concepts and providing coherent scientific explanations); (2) understanding of the deep causal structure (i.e., being able to grasp and transfer the causal knowledge of a complex system). The study used a computer-based simulation environment as the research platform to teach the ideal gas law as a system. The ideal gas law is an emergent chemical system that has three levels: (1) experiential macro level (EM) (e.g., an aerosol can explodes when it is thrown into the fire); (2) abstract macro level (AM) (i.e., the relationships among temperature, pressure and volume); (3) micro level (Mi) (i.e., molecular activity). The sequencing methods of these levels were manipulated by changing the order in which they were delivered with three possibilities: (1) EM-AM-Mi; (2) Mi-AM-EM; (3) AM-Mi-EM. The level-bridging scaffolding variable was manipulated on two aspects: (1) inserting inter-level questions among learning activities; (2) two simulations dynamically linked in the final learning activity. Addressing the first

  2. Noise reduction of spiral ducts.

    PubMed

    Lapka, Wojciech; Cempel, Czesław

    2007-01-01

    The paper presents noise reduction (NR) of spiral ducts as a result of computational modeling of acoustic wave propagation. Three-dimensional models were created with the finite element method in COMSOL Multiphysics version 3.3. Nine models of spiral ducts with 1-9 spiral leads were considered. Time-harmonic analysis was used to predict NR, which was shown in spectral and interval frequency bands. Spiral duct performance can be seen as a comparison of NR before and after a change from a circular to a spiral duct.

  3. Simulating Ecological Complexity Using the Example of Pesticides in Ecosystems.

    ERIC Educational Resources Information Center

    Muir, Patricia S.; McCune, Bruce

    1993-01-01

    Describes a simulation exercise developed for an introductory biology course for nonmajors. The simulation focuses on the control of western spruce budworms in forests of the western United States. A nonlinear, multivariate simulation model is used. (PR)

  4. LISP based simulation generators for modeling complex space processes

    NASA Technical Reports Server (NTRS)

    Tseng, Fan T.; Schroer, Bernard J.; Dwan, Wen-Shing

    1987-01-01

    The development of a simulation assistant for modeling discrete event processes is presented. Included are an overview of the system, a description of the simulation generators, and a sample process generated using the simulation assistant.

  5. Use of the Environmental Simulation Program (ESP) to Simulate Complex Waste Treatment Processes

    SciTech Connect

    MacLean, G. T.; Ho, Q. T.; Berger, S. R. K.

    2003-02-26

    The Environmental Simulation Program is a process simulator designed for aqueous based chemical processes. ESP, which is produced by OLI Systems, Inc., utilizes sophisticated activity coefficient models and predictive equations that result in the ability to simulate very complex electrolyte systems (OLI, 2002). The software comes with databanks of regressed parameters for a large number of aqueous, vapor, and solid species covering most of the elements. ESP has been used extensively at the U. S. Department of Energy Hanford Site to predict nuclear waste slurry vapor-liquid-solid equilibrium. It has and is being used to model leaching and washing of nuclear waste sludges, evaporation of nuclear waste solutions, crystallization of salts, precipitation of plutonium and other metals from waste solutions, and other processing of dilute and concentrated aqueous solutions, sludges, and slurries. The software is also used extensively to rationalize the characterization of nuclear wastes using limited data from analyses of waste samples. The OLI provided databanks suffer from a legacy interaction model that limits the accuracy when neutral solutes are important. Also, the nitrate-nitrite systems typically found in nuclear wastes are not properly parameterized in ESP databases because of the existence of sodium nitrate and nitrite ion pairs. Properties databanks for ESP have been developed at Flour Federal Services that eliminate the legacy model and provide more accurate simulation results than the OLI supplied databases for such concentrated solutions and slurries.

  6. Coupling Between Mesospheric and Lower-Thermospheric Ducted Gravity Waves

    NASA Astrophysics Data System (ADS)

    Snively, J. B.; Walterscheid, R. L.; Hickey, M. P.

    2011-12-01

    The structure of the mesosphere and lower thermosphere (MLT) region is at times able to support ducted gravity wave propagation in a dual duct system: a lower-thermospheric thermal duct (LTD) that is always present, and an upper-mesospheric thermal duct that forms from an upper-mesospheric inversion layer (MIL). The combined effects of temperature and wind structure (sometimes to the extent of causing "Doppler" ducting, where wind is the Doppler shift becomes the dominant trapping mechanism) may lead to strongly-resonant ducted wave modes that can be easily forced to large amplitude. These modes may be initially excited by mechanisms such as gravity wave breaking or nonlinear interaction at duct altitudes [e.g., Snively and Pasko, JGR, 113, A06303, 2008], or via upward propagating linear waves which tunnel through the lower duct boundaries. In the latter case, excitation to large amplitudes is favored if the wave frequency and wavenumber closely match a duct resonance mode. Even waves that are not fully resonant may tunnel effectively between ducts, leading to dissipation as the waves ascend vertically [e.g., Snively and Taylor, AGU FM, SA54A-04, 2008]. Here we investigate cases where resonant duct modes are shared between the LTD and MIL [e.g., Walterscheid and Hickey, JGR, 114, D19109, 2009], allowing strong waves in the MIL to effectively excite even stronger waves in the LTD. Using steady-state linear and nonlinear time-dependent models in combination, we examine the coupling between MIL and LTD modes, and the generation and evolution of the large amplitude ducted wave modes. The linear model is first used to identify resonance modes, and the nonlinear model is then used to investigate the evolution of waves, from moderate-amplitude quasi-linear waves to large-amplitude nonlinear waves approaching the onset of breaking. We find that waves forced in one duct can profoundly affect the other, especially under resonant conditions where large amplitudes may be

  7. Intrahepatic Transposition of Bile Ducts

    PubMed Central

    Delić, Jasmin; Savković, Admedina; Isaković, Eldar; Marković, Sergije; Bajtarevic, Alma; Denjalić, Amir

    2012-01-01

    Objective. To describe the intrahepatic bile duct transposition (anatomical variation occurring in intrahepatic ducts) and to determine the frequency of this variation. Material and Methods. The researches were performed randomly on 100 livers of adults, both sexes. Main research methods were anatomical macrodissection. As a criterion for determination of variations in some parts of bile tree, we used the classification of Segmentatio hepatis according to Couinaud (1957) according to Terminologia Anatomica, Thieme Stuugart: Federative Committee on Anatomical Terminology, 1988. Results. Intrahepatic transposition of bile ducts was found in two cases (2%), out of total examined cases (100): right-left transposition (right segmental bile duct, originating from the segment VIII, joins the left liver duct-ductus hepaticus sinister) and left-right intrahepatic transposition (left segmental bile duct originating from the segment IV ends in right liver duct-ductus hepaticus dexter). Conclusion. Safety and success in liver transplantation to great extent depends on knowledge of anatomy and some common embryological anomalies in bile tree. Variations in bile tree were found in 24–43% of cases, out of which 1–22% are the variations of intrahepatic bile ducts. Therefore, good knowledge on ductal anatomy enables good planning, safe performance of therapeutic and operative procedures, and decreases the risk of intraoperative and postoperative complications. PMID:22550601

  8. Hydrodynamic Modeling, Optimization and Performance Assessment for Ducted and Non-ducted Tidal Turbines

    NASA Astrophysics Data System (ADS)

    Shives, Michael Robert

    This thesis examines methods for designing and analyzing kinetic turbines based on blade element momentum (BEM) theory and computational fluid dynamics (CFD). The underlying goal of the work was to assess the potential augmentation of power production associated with enclosing the turbine in an expanding duct. Thus, a comparison of the potential performance of ducted and non-ducted turbines was carried out. This required defining optimal turbine performance for both concepts. BEM is the typical tool used for turbine optimization and is very well established in the context of wind turbine design. BEM was suitable for conventional turbines, but could not account for the influence of ducts, and no established methodology for designing ducted turbines could be found in the literature. Thus, methods were established to design and analyze ducted turbines based on an extended version of BEM (with CFD-derived coefficients), and based on CFD simulation. Additional complications arise in designing tidal turbines because traditional techniques for kinetic turbine design have been established for wind turbines, which are similar in their principle of operation but are driven by flows with inherently different boundary conditions than tidal currents. The major difference is that tidal flows are bounded by the ocean floor, the water surface and channel walls. Thus, analytical and CFD-based methods were established to account for the effects of these boundaries (called blockage effects) on the optimal design and performance of turbines. Additionally, tidal flows are driven by changes in the water surface height in the ocean and their velocity is limited by viscous effects. Turbines introduced into a tidal flow increase the total drag in the system and reduce the total flow in a region (e.g. a tidal channel). An analytical method to account for this was taken from the field of tidal resource assessment, and along with the methods to account for ducts and blockage effects, was

  9. Subsonic Flows through S-Ducts with Flow Control

    NASA Astrophysics Data System (ADS)

    Chen, Yi

    An inlet duct of an aircraft connects the air intake mounted on the fuselage to the engine within the aircraft body. The ideal outflow quality of the duct is steady, uniform and of high total pressure. Recently compact S-shaped inlet ducts are drawing more attention in the design of UAVs with short propulsion system. Compact ducts usually involve strong streamwise adverse pressure gradient and transverse secondary flow, leading to large-scale harmful vortical structures in the outflow. To improve the outflow quality modern flow control techniques have to be applied. Before designing successful flow control methods a solid understanding of the baseline flow field with the duct is crucial. In this work the fundamental mechanism of how the three dimensional flow topology evolves when the relevant parameters such as the duct geometry and boundary layer thickness are varied, is studied carefully. Two distinct secondary-flow patterns are identified. For the first time the sensitivity of the flow topology to the inflow boundary layer thickness in long ducts is clearly addressed. The interaction between the transverse motion induced by the transverse pressure gradient and the streamwise separation is revealed as the crucial reason for the various flow patterns existing in short ducts. A non-symmetric flow pattern is identified for the first time in both experiments and simulations in short ducts in which the intensity of the streamwise separation and the transverse invasion are in the same order of magnitude. A theory of energy accumulation and solution bifurcation is used to give a reasonable explanation for this non-symmetry. After gaining the knowledge of where and how the harmful vortical structures are generated several flow control techniques are tested to achieve a better outflow quality. The analysis of the flow control cases also provides a deeper insight into the behavior of the three-dimensional flow within the ducts. The conventional separation control method

  10. PMR Graphite Engine Duct Development

    NASA Technical Reports Server (NTRS)

    Stotler, C. L.; Yokel, S. A.

    1989-01-01

    The objective was to demonstrate the cost and weight advantages that could be obtained by utilizing the graphite/PMR15 material system to replace titanium in selected turbofan engine applications. The first component to be selected as a basis for evaluation was the outer bypass duct of the General Electric F404 engine. The operating environment of this duct was defined and then an extensive mechanical and physical property test program was conducted using material made by processing techniques which were also established by this program. Based on these properties, design concepts to fabricate a composite version of the duct were established and two complete ducts fabricated. One of these ducts was proof pressure tested and then run successfully on a factory test engine for over 1900 hours. The second duct was static tested to 210 percent design limit load without failure. An improved design was then developed which utilized integral composite end flanges. A complete duct was fabricated and successfully proof pressure tested. The net results of this effort showed that a composite version of the outer duct would be 14 percent lighter and 30 percent less expensive that the titanium duct. The other type of structure chosen for investigation was the F404 fan stator assembly, including the fan stator vanes. It was concluded that it was feasible to utilize composite materials for this type structure but that the requirements imposed by replacing an existing metal design resulted in an inefficient composite design. It was concluded that if composites were to be effectively used in this type structure, the design must be tailored for composite application from the outset.

  11. Basic tips for duct design

    SciTech Connect

    Evans, R.A.; Tsal, R.J.

    1996-07-01

    During the last few years, ASHRAE Journal and other trade publications have presented lucid descriptions of the basic physics of airflow in ductwork, pressure drop and methods of sizing and optimization (Brooks 1995, Tsal et al. 1988a, Williams 1995). What is missing is a practical means for numerically modeling HVAC duct systems. This article is centered on the performance, economics and modeling of duct systems. Specific subjects examined include duct shape, fitting performance, leakage and appropriate oversizing. Computer modeling is discussed to provide a better grasp as to how it can be used as a practical design tool.

  12. Computer Simulation of Complex Polar and Polarizable Systems

    NASA Astrophysics Data System (ADS)

    Lu, Dongsheng

    In this monograph, some interesting topics in the study of complex polar and polarizable systems have been presented. These include the structures and energetics of model polar Stockmayer (Lennard-Jones + point dipole) clusters, ion solvation in model polar clusters, a qualitative theory of solvation energetics, polarization fluctuations and vertical ionization energy, and finally a preliminary study on variational calculation of non-adiabatic polarizations. Model polar clusters exhibit spontaneous breaking of orientational symmetry in a wide range of temperatures. The form of the orientational anisotropy reflects the tendency of polar particles to form chains of dipoles in head-to-tail arrangement. It persists through temperatures characteristic of solid-liquid coexistence for reduced dipole strength mu ^*^2=1, and to about twice the range of solid-liquid coexistence temperatures for mu ^*^2=3. As a charged ion is introduced into the polar cluster, the circulating pattern is converted to another distinct pattern by the ion. The extent to which the cluster is re-ordered depends upon the relative magnitude of ionic strength and solvent polarity. Qualitative agreement with dielectric continuum theory is recovered for large clusters, as expected. Deviations from dielectric continuum theory are found for small clusters and compared to a previous theoretical prediction of those deviations. The ion solvation free energy surface in the ion solvation process and the solvent reorganization free energy surface in the vertical detachment process can be mapped out in simulations in the context of a qualitative theory. In this theory, a single collective coordinate that couples to the solute charge is identified and the two free energy surfaces are related by a Legendre transformation. Two types of deviations from linear response theory are found from comparisons of various free energy entities. Dielectric saturation leads to a sub-linear response, while the general trend that

  13. Examining Factors that Affect Performance in Complex Simulation Environments

    ERIC Educational Resources Information Center

    Mayrath, Michael Charles

    2009-01-01

    This study examined the effects of manipulating the modality (text-only, voice-only, voice+text) of a tutorial and restriction (restricted vs. unrestricted) of a simulation's interface on retention and transfer of tutorial content. The tutorial prepared novice students to use Packet Tracer, a simulation developed by Cisco that teaches network…

  14. A non-local computational boundary condition for duct acoustics

    NASA Technical Reports Server (NTRS)

    Zorumski, William E.; Watson, Willie R.; Hodge, Steve L.

    1994-01-01

    A non-local boundary condition is formulated for acoustic waves in ducts without flow. The ducts are two dimensional with constant area, but with variable impedance wall lining. Extension of the formulation to three dimensional and variable area ducts is straightforward in principle, but requires significantly more computation. The boundary condition simulates a nonreflecting wave field in an infinite duct. It is implemented by a constant matrix operator which is applied at the boundary of the computational domain. An efficient computational solution scheme is developed which allows calculations for high frequencies and long duct lengths. This computational solution utilizes the boundary condition to limit the computational space while preserving the radiation boundary condition. The boundary condition is tested for several sources. It is demonstrated that the boundary condition can be applied close to the sound sources, rendering the computational domain small. Computational solutions with the new non-local boundary condition are shown to be consistent with the known solutions for nonreflecting wavefields in an infinite uniform duct.

  15. Stabilization procedures for near-wall full Reynolds stress closures in complex 3-D CFD simulations

    SciTech Connect

    Kunz, R.F.; Siebert, B.W.

    1996-06-01

    Near-wall full Reynolds stress models (FRSMs) were implemented in an implicit, incompressible full Navier-Stokes algorithm. The method was applied to flow in a 3-D duct with significant curvature induced secondary motions as well as 2-D and 3-D turbine cascade flows. FRSM computation of such flows, provides several numerical challenges germane to the very highly clustered near-wall meshes required, and to the incorporation of FRSMs themselves. Several stabilization procedures have been deployed within the scheme, which enable convergent solutions to large scale flow simulations of engineering interest. This paper summarizes the numerical strategies employed. it is shown that near-wall FRSM convergence rates commensurate with those of two-equation models are obtained.

  16. Locating Anomalies in Complex Data Sets Using Visualization and Simulation

    NASA Technical Reports Server (NTRS)

    Panetta, Karen

    2001-01-01

    The research goals are to create a simulation framework that can accept any combination of models written at the gate or behavioral level. The framework provides the ability to fault simulate and create scenarios of experiments using concurrent simulation. In order to meet these goals we have had to fulfill the following requirements. The ability to accept models written in VHDL, Verilog or the C languages. The ability to propagate faults through any model type. The ability to create experiment scenarios efficiently without generating every possible combination of variables. The ability to accept adversity of fault models beyond the single stuck-at model. Major development has been done to develop a parser that can accept models written in various languages. This work has generated considerable attention from other universities and industry for its flexibility and usefulness. The parser uses LEXX and YACC to parse Verilog and C. We have also utilized our industrial partnership with Alternative System's Inc. to import vhdl into our simulator. For multilevel simulation, we needed to modify the simulator architecture to accept models that contained multiple outputs. This enabled us to accept behavioral components. The next major accomplishment was the addition of "functional fault models". Functional fault models change the behavior of a gate or model. For example, a bridging fault can make an OR gate behave like an AND gate. This has applications beyond fault simulation. This modeling flexibility will make the simulator more useful for doing verification and model comparison. For instance, two or more versions of an ALU can be comparatively simulated in a single execution. The results will show where and how the models differed so that the performance and correctness of the models may be evaluated. A considerable amount of time has been dedicated to validating the simulator performance on larger models provided by industry and other universities.

  17. Articulated transition duct in turbomachine

    SciTech Connect

    Flanagan, James Scott; McMahan, Kevin Weston; LeBegue, Jeffrey Scott; Pentecost, Ronnie Ray

    2014-04-29

    Turbine systems are provided. A turbine system includes a transition duct comprising an inlet, an outlet, and a duct passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of the transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The duct passage includes an upstream portion and a downstream portion. The upstream portion extends from the inlet between an inlet end and an aft end. The downstream portion extends from the outlet between an outlet end and a head end. The turbine system further includes a joint coupling the aft end of the upstream portion and the head end of the downstream portion together. The joint is configured to allow movement of the upstream portion and the downstream portion relative to each other about or along at least one axis.

  18. Wave reflections from duct terminations.

    PubMed

    Selamet, A; Ji, Z L; Kach, R A

    2001-04-01

    The reflection coefficients and inertial end corrections of several duct terminations, including finite length duct extensions perpendicular to an infinite wall, as well as at a number of angles, curved interface surfaces, and annular cavities, are determined and analyzed in the absence of flow by employing the boundary element method. Predictions for the classical unflanged and flanged circular ducts show good agreement with analytical and computational results available in the literature. The predictions for curved interface surfaces (bellmouth or horn) are also consistent with the available experimental data. In view of its high reflection coefficient, the duct termination with an annular cavity may be suggested for the suppression of noise radiation in a specific frequency band or for an effective wave reflection from the termination. PMID:11325101

  19. Flexible Borescope For Inspecting Ducts

    NASA Technical Reports Server (NTRS)

    Shinozaki, Keith; Armstrong, Mike P.; Urquidi, Ron

    1995-01-01

    Borescope and associated equipment developed specifically for use in optical inspection of inside of flexible joints in rocket-engine fuel duct. Apparatus includes assembly, characterized as "mouse/canoe," at sensing end of 10-ft borescope cable. Borescope tip rides in mouse/canoe. The mouse/canoe made laterally compressible, to facilitate movement past constrictions and provides fixed distance from inspection point permitting accurate description in duct inspected.

  20. Duct Leakage Repeatability Testing

    SciTech Connect

    Walker, Iain; Sherman, Max

    2014-01-01

    Duct leakage often needs to be measured to demonstrate compliance with requirements or to determine energy or Indoor Air Quality (IAQ) impacts. Testing is often done using standards such as ASTM E1554 (ASTM 2013) or California Title 24 (California Energy Commission 2013 & 2013b), but there are several choices of methods available within the accepted standards. Determining which method to use or not use requires an evaluation of those methods in the context of the particular needs. Three factors that are important considerations are the cost of the measurement, the accuracy of the measurement and the repeatability of the measurement. The purpose of this report is to evaluate the repeatability of the three most significant measurement techniques using data from the literature and recently obtained field data. We will also briefly discuss the first two factors. The main question to be answered by this study is to determine if differences in the repeatability of these tests methods is sufficient to indicate that any of these methods is so poor that it should be excluded from consideration as an allowed procedure in codes and standards.

  1. Observationally constrained modeling of sound in curved ocean internal waves: examination of deep ducting and surface ducting at short range.

    PubMed

    Duda, Timothy F; Lin, Ying-Tsong; Reeder, D Benjamin

    2011-09-01

    A study of 400 Hz sound focusing and ducting effects in a packet of curved nonlinear internal waves in shallow water is presented. Sound propagation roughly along the crests of the waves is simulated with a three-dimensional parabolic equation computational code, and the results are compared to measured propagation along fixed 3 and 6 km source/receiver paths. The measurements were made on the shelf of the South China Sea northeast of Tung-Sha Island. Construction of the time-varying three-dimensional sound-speed fields used in the modeling simulations was guided by environmental data collected concurrently with the acoustic data. Computed three-dimensional propagation results compare well with field observations. The simulations allow identification of time-dependent sound forward scattering and ducting processes within the curved internal gravity waves. Strong acoustic intensity enhancement was observed during passage of high-amplitude nonlinear waves over the source/receiver paths, and is replicated in the model. The waves were typical of the region (35 m vertical displacement). Two types of ducting are found in the model, which occur asynchronously. One type is three-dimensional modal trapping in deep ducts within the wave crests (shallow thermocline zones). The second type is surface ducting within the wave troughs (deep thermocline zones).

  2. STEPS: Modeling and Simulating Complex Reaction-Diffusion Systems with Python.

    PubMed

    Wils, Stefan; De Schutter, Erik

    2009-01-01

    We describe how the use of the Python language improved the user interface of the program STEPS. STEPS is a simulation platform for modeling and stochastic simulation of coupled reaction-diffusion systems with complex 3-dimensional boundary conditions. Setting up such models is a complicated process that consists of many phases. Initial versions of STEPS relied on a static input format that did not cleanly separate these phases, limiting modelers in how they could control the simulation and becoming increasingly complex as new features and new simulation algorithms were added. We solved all of these problems by tightly integrating STEPS with Python, using SWIG to expose our existing simulation code. PMID:19623245

  3. Laminar flow in twisted ducts

    NASA Astrophysics Data System (ADS)

    Kheshgi, Haroon S.

    1993-11-01

    Fully developed flow of an incompressible Newtonian fluid through a duct in which the orientation of the cross section is twisted about an axis parallel to an imposed pressure gradient is analyzed here with the aid of the penalty/Galerkin/finite element method. When the axis of twist is located within the duct, flow approaches limits at low and high torsion, the spatial frequency τ by which the duct is twisted. For small torsion, flow is nearly rectilinear and solutions approach previous asymptotic results for an elliptical cross section. For large torsion, flow exhibits an internal layer structure: a rotating circular-cylinder core with a nearly parabolic axial velocity profile, an internal layer of thickness τ-1 along the perimeter of the largest circular cylinder that can be inscribed in the duct, and nearly quiescent flow outside of the circular cylinder. The maximum rate of swirl in the core of a square duct is found to be at moderate torsion. The primary effect of inertia is an increase in pressure with distance from the axis, due to centrifugal acceleration. When the duct is offset from the axis of twist, inertia leads to one, two, or three primary vortices without apparent bifurcation of steady states, although stability of steady flows is lost beyond detected Hopf points.

  4. Challenges in Integrating a Complex Systems Computer Simulation in Class: An Educational Design Research

    ERIC Educational Resources Information Center

    Loke, Swee-Kin; Al-Sallami, Hesham S.; Wright, Daniel F. B.; McDonald, Jenny; Jadhav, Sheetal; Duffull, Stephen B.

    2012-01-01

    Complex systems are typically difficult for students to understand and computer simulations offer a promising way forward. However, integrating such simulations into conventional classes presents numerous challenges. Framed within an educational design research, we studied the use of an in-house built simulation of the coagulation network in four…

  5. Radiation of sound from unflanged cylindrical ducts

    NASA Technical Reports Server (NTRS)

    Hartharan, S. L.; Bayliss, A.

    1983-01-01

    Calculations of sound radiated from unflanged cylindrical ducts are presented. The numerical simulation models the problem of an aero-engine inlet. The time dependent linearized Euler equations are solved from a state of rest until a harmonic solution is attained. A fourth order accurate finite difference scheme is used and solutions are obtained from a fully vectorized Cyber-203 computer program. Cases of both plane waves and spin modes are treated. Spin modes model the sound generated by a turbofan engine. Boundary conditions for both plane waves and spin modes are treated. Solutions obtained are compared with experiments conducted at NASA Langley Research Center.

  6. Anatomy of the nipple and breast ducts.

    PubMed

    Zucca-Matthes, Gustavo; Urban, Cícero; Vallejo, André

    2016-02-01

    Over time, variations of mastectomy came up and started allowing the oncological safety and the possibility of an immediate breast reconstruction. Nipple sparing mastectomy (NSM) procedures have strongly increased in frequency and have become one of the best alternatives to treat breast cancer, also improving overall aesthetic outcomes and the achievement of contralateral breast symmetry. The nipple areola-complex (NAC) must be considered the identity of the breast concerning self-esteem of patients. This paper will remind the main anatomical topics around the nipple and breast ducts. PMID:26855906

  7. Complex simulation system infrastructure supporting composability and performance

    NASA Astrophysics Data System (ADS)

    Dorsch, Matthew; Hannibal, Barbara; Skowronski, Victor; Wallace, Jeffrey

    2004-08-01

    The increased emphasis on the need for composability in simulations has led to architectures with server simulations that provide a service to several other simulations. One such architecture was the Joint Synthetic Battlespace (JSB) Spring Experiment 2002 architecture, which included a Common Synthetic Environment (CSE) server for atmospheric effects. The intent of using a CSE was to provide a standard model for all atmospheric effects. The common model would assist in the evaluation of sensor systems by removing any bias due to different environmental effects models. When the CSE server was proposed, it became apparent that the number of requests for environmental effect calculations might overwhelm the server, or cause excessive network activity. This paper examines the ability of the current architecture to scale operational levels. The paper also proposes modifications to the current architecture that can enhance the scalability of the architecture without impairing its composability.

  8. Substructure synthesis method for simulating large molecular complexes

    PubMed Central

    Ming, Dengming; Kong, Yifei; Wu, Yinghao; Ma, Jianpeng

    2003-01-01

    This paper reports a computational method for describing the conformational flexibility of very large biomolecular complexes using a reduced number of degrees of freedom. It is called the substructure synthesis method, and the basic concept is to treat the motions of a given structure as a collection of those of an assemblage of substructures. The choice of substructures is arbitrary and sometimes quite natural, such as domains, subunits, or even large segments of biomolecular complexes. To start, a group of low-frequency substructure modes is determined, for instance by normal mode analysis, to represent the motions of the substructure. Next, a desired number of substructures are joined together by a set of constraints to enforce geometric compatibility at the interface of adjacent substructures, and the modes for the assembled structure can then be synthesized from the substructure modes by applying the Rayleigh–Ritz principle. Such a procedure is computationally much more desirable than solving the full eigenvalue problem for the whole assembled structure. Furthermore, to show the applicability to biomolecular complexes, the method is used to study F-actin, a large filamentous molecular complex involved in many cellular functions. The results demonstrate that the method is capable of studying the motions of very large molecular complexes that are otherwise completely beyond the reach of any conventional methods. PMID:12518058

  9. A Computer Simulated Experiment in Complex Order Kinetics

    ERIC Educational Resources Information Center

    Merrill, J. C.; And Others

    1975-01-01

    Describes a computer simulation experiment in which physical chemistry students can determine all of the kinetic parameters of a reaction, such as order of the reaction with respect to each reagent, forward and reverse rate constants for the overall reaction, and forward and reverse activation energies. (MLH)

  10. Stress Training and Simulator Complexity: Why Sometimes More Is Less

    ERIC Educational Resources Information Center

    Tichon, Jennifer G.; Wallis, Guy M.

    2010-01-01

    Through repeated practice under conditions similar to those in real-world settings, simulator training prepares an individual to maintain effective performance under stressful work conditions. Interfaces offering high fidelity and immersion can more closely reproduce real-world experiences and are generally believed to result in better learning…

  11. Observations and laboratory simulations of tornadoes in complex topographical regions

    NASA Astrophysics Data System (ADS)

    Karstens, Christopher Daniel

    Aerial photos taken along the damage paths of the Joplin, MO, and Tuscaloosa-Birmingham, AL, tornadoes of 2011 captured and preserved several unique patterns of damage. In particular, a few distinct tree-fall patterns were noted along the Tuscaloosa-Birmingham tornado track that appeared highly influenced by the underlying topography. One such region was the focus of a damage survey and motivated laboratory vortex simulations with a 3-D foam representation of the underlying topography, in addition to simulations performed with idealized 2D topographic features, using Iowa State University's tornado simulator. The purpose of this dissertation is to explore various aspects related to the interaction of a tornado or a tornado-like vortex with its underlying topography. Three topics are examined: 1) Analysis of tornado-induced tree-fall using aerial photography from the Joplin, MO, and Tuscaloosa-Birmingham, AL, tornadoes of 2011, 2) Laboratory investigation of topographical influences on a simulated tornado-like vortex, and 3) On the use of non-standard EF-scale damage indicators to categorize tornadoes.

  12. Learning to manage complexity through simulation: students' challenges and possible strategies.

    PubMed

    Gormley, Gerard J; Fenwick, Tara

    2016-06-01

    Many have called for medical students to learn how to manage complexity in healthcare. This study examines the nuances of students' challenges in coping with a complex simulation learning activity, using concepts from complexity theory, and suggests strategies to help them better understand and manage complexity.Wearing video glasses, participants took part in a simulation ward-based exercise that incorporated characteristics of complexity. Video footage was used to elicit interviews, which were transcribed. Using complexity theory as a theoretical lens, an iterative approach was taken to identify the challenges that participants faced and possible coping strategies using both interview transcripts and video footage.Students' challenges in coping with clinical complexity included being: a) unprepared for 'diving in', b) caught in an escalating system, c) captured by the patient, and d) unable to assert boundaries of acceptable practice.Many characteristics of complexity can be recreated in a ward-based simulation learning activity, affording learners an embodied and immersive experience of these complexity challenges. Possible strategies for managing complexity themes include: a) taking time to size up the system, b) attuning to what emerges, c) reducing complexity, d) boundary practices, and e) working with uncertainty. This study signals pedagogical opportunities for recognizing and dealing with complexity. PMID:27246964

  13. Fan Performance From Duct Rake Instrumentation on a 1.294 Pressure Ratio, 725 ft/sec Tip Speed Turbofan Simulator Using Vaned Passage Casing Treatment

    NASA Technical Reports Server (NTRS)

    Fite, E. Brian

    2006-01-01

    A 1.294 pressure ratio, 725 ft/sec tip speed, variable pitch low noise fan was designed and tested in the NASA Glenn 9- by 15-foot Wind Tunnel. The design included a casing treatment that used recirculation to extend the fan stall line and provide an acceptable operating range. Overall aerodynamic experimental results are presented for this low tip speed, low noise fan without casing treatment as well as using several variants of the casing treatment that moved the air extraction and insertion axial locations. Measurements were made to assess effects on performance, operability, and noise. An unusual instability was discovered near the design operating line and is documented in the fan operating range. Measurements were made to compare stall margin improvements as well as measure the performance impact of the casing treatments. Experimental results in the presence of simulated inlet distortion, via screens, are presented for the baseline and recirculation casing treatment configurations. Estimates are made for the quantity of recirculation weight flow based on limited instrumentation in the recirculation system along with discussion of results and conclusions

  14. Laparoscopic common bile duct exploration.

    PubMed

    Vecchio, Rosario; MacFadyen, Bruce V

    2002-04-01

    In recent years, laparoscopic common bile duct exploration has become the procedure of choice in the management of choledocholithiasis in several laparoscopic centers. The increasing interest for this laparoscopic approach is due to the development of instrumentation and technique, allowing the procedure to be performed safely, and it is also the result of the revised role of endoscopic retrograde cholangiopancreatography, which has been questioned because of its cost, risk of complications and effectiveness. Many surgeons, however, are still not familiar with this technique. In this article we discuss the technique and results of laparoscopic common bile duct exploration. Both the laparoscopic transcystic approach and choledochotomy are discussed, together with the results given in the literature. When one considers the costs, morbidity, mortality and the time required before the patient can return to work, it would appear that laparoscopic cholecystectomy with common bile duct exploration is more favorable than open surgery or laparoscopic cholecystectomy with preoperative or postoperative endoscopic sphincterotomy. However, the technique requires advanced laparoscopic skills, including suturing, knot tying, the use of a choledochoscope, guidewire, dilators and balloon stone extractor. Although laparoscopic common bile duct exploration appears to be the most cost-effective method to treat common bile duct stones, it should be emphasized that this procedure is very challenging, and it should be performed by well-trained laparoscopic surgeons with experience in biliary surgery. PMID:11981684

  15. SIMULATING BIOCHEMICAL SIGNALING NETWORKS IN COMPLEX MOVING GEOMETRIES.

    PubMed

    Strychalski, Wanda; Adalsteinsson, David; Elston, Timothy C

    2010-01-01

    Signaling networks regulate cellular responses to environmental stimuli through cascades of protein interactions. External signals can trigger cells to polarize and move in a specific direction. During migration, spatially localized activity of proteins is maintained. To investigate the effects of morphological changes on intracellular signaling, we developed a numerical scheme consisting of a cut cell finite volume spatial discretization coupled with level set methods to simulate the resulting advection-reaction-diffusion system. We then apply the method to several biochemical reaction networks in changing geometries. We found that a Turing instability can develop exclusively by cell deformations that maintain constant area. For a Turing system with a geometry-dependent single or double peak solution, simulations in a dynamically changing geometry suggest that a single peak solution is the only stable one, independent of the oscillation frequency. The method is also applied to a model of a signaling network in a migrating fibroblast. PMID:24086102

  16. Integrating Multibody Simulation and CFD: toward Complex Multidisciplinary Design Optimization

    NASA Astrophysics Data System (ADS)

    Pieri, Stefano; Poloni, Carlo; Mühlmeier, Martin

    This paper describes the use of integrated multidisciplinary analysis and optimization of a race car model on a predefined circuit. The objective is the definition of the most efficient geometric configuration that can guarantee the lowest lap time. In order to carry out this study it has been necessary to interface the design optimization software modeFRONTIER with the following softwares: CATIA v5, a three dimensional CAD software, used for the definition of the parametric geometry; A.D.A.M.S./Motorsport, a multi-body dynamic simulation software; IcemCFD, a mesh generator, for the automatic generation of the CFD grid; CFX, a Navier-Stokes code, for the fluid-dynamic forces prediction. The process integration gives the possibility to compute, for each geometrical configuration, a set of aerodynamic coefficients that are then used in the multiboby simulation for the computation of the lap time. Finally an automatic optimization procedure is started and the lap-time minimized. The whole process is executed on a Linux cluster running CFD simulations in parallel.

  17. Visual Analytics for Complex Engineering Systems: Hybrid Visual Steering of Simulation Ensembles.

    PubMed

    Matković, Krešimir; Gračanin, Denis; Splechtna, Rainer; Jelović, Mario; Stehno, Benedikt; Hauser, Helwig; Purgathofer, Werner

    2014-12-01

    In this paper we propose a novel approach to hybrid visual steering of simulation ensembles. A simulation ensemble is a collection of simulation runs of the same simulation model using different sets of control parameters. Complex engineering systems have very large parameter spaces so a naïve sampling can result in prohibitively large simulation ensembles. Interactive steering of simulation ensembles provides the means to select relevant points in a multi-dimensional parameter space (design of experiment). Interactive steering efficiently reduces the number of simulation runs needed by coupling simulation and visualization and allowing a user to request new simulations on the fly. As system complexity grows, a pure interactive solution is not always sufficient. The new approach of hybrid steering combines interactive visual steering with automatic optimization. Hybrid steering allows a domain expert to interactively (in a visualization) select data points in an iterative manner, approximate the values in a continuous region of the simulation space (by regression) and automatically find the "best" points in this continuous region based on the specified constraints and objectives (by optimization). We argue that with the full spectrum of optimization options, the steering process can be improved substantially. We describe an integrated system consisting of a simulation, a visualization, and an optimization component. We also describe typical tasks and propose an interactive analysis workflow for complex engineering systems. We demonstrate our approach on a case study from automotive industry, the optimization of a hydraulic circuit in a high pressure common rail Diesel injection system.

  18. Simulating and mapping spatial complexity using multi-scale techniques

    USGS Publications Warehouse

    De Cola, L.

    1994-01-01

    A central problem in spatial analysis is the mapping of data for complex spatial fields using relatively simple data structures, such as those of a conventional GIS. This complexity can be measured using such indices as multi-scale variance, which reflects spatial autocorrelation, and multi-fractal dimension, which characterizes the values of fields. These indices are computed for three spatial processes: Gaussian noise, a simple mathematical function, and data for a random walk. Fractal analysis is then used to produce a vegetation map of the central region of California based on a satellite image. This analysis suggests that real world data lie on a continuum between the simple and the random, and that a major GIS challenge is the scientific representation and understanding of rapidly changing multi-scale fields. -Author

  19. A methodology towards virtualisation-based high performance simulation platform supporting multidisciplinary design of complex products

    NASA Astrophysics Data System (ADS)

    Ren, Lei; Zhang, Lin; Tao, Fei; (Luke) Zhang, Xiaolong; Luo, Yongliang; Zhang, Yabin

    2012-08-01

    Multidisciplinary design of complex products leads to an increasing demand for high performance simulation (HPS) platforms. One great challenge is how to achieve high efficient utilisation of large-scale simulation resources in distributed and heterogeneous environments. This article reports a virtualisation-based methodology to realise a HPS platform. This research is driven by the issues concerning large-scale simulation resources deployment and complex simulation environment construction, efficient and transparent utilisation of fine-grained simulation resources and high reliable simulation with fault tolerance. A framework of virtualisation-based simulation platform (VSIM) is first proposed. Then the article investigates and discusses key approaches in VSIM, including simulation resources modelling, a method to automatically deploying simulation resources for dynamic construction of system environment, and a live migration mechanism in case of faults in run-time simulation. Furthermore, the proposed methodology is applied to a multidisciplinary design system for aircraft virtual prototyping and some experiments are conducted. The experimental results show that the proposed methodology can (1) significantly improve the utilisation of fine-grained simulation resources, (2) result in a great reduction in deployment time and an increased flexibility for simulation environment construction and (3)achieve fault tolerant simulation.

  20. Heuristic Identification of Biological Architectures for Simulating Complex Hierarchical Genetic Interactions

    PubMed Central

    Moore, Jason H; Amos, Ryan; Kiralis, Jeff; Andrews, Peter C

    2015-01-01

    Simulation plays an essential role in the development of new computational and statistical methods for the genetic analysis of complex traits. Most simulations start with a statistical model using methods such as linear or logistic regression that specify the relationship between genotype and phenotype. This is appealing due to its simplicity and because these statistical methods are commonly used in genetic analysis. It is our working hypothesis that simulations need to move beyond simple statistical models to more realistically represent the biological complexity of genetic architecture. The goal of the present study was to develop a prototype genotype–phenotype simulation method and software that are capable of simulating complex genetic effects within the context of a hierarchical biology-based framework. Specifically, our goal is to simulate multilocus epistasis or gene–gene interaction where the genetic variants are organized within the framework of one or more genes, their regulatory regions and other regulatory loci. We introduce here the Heuristic Identification of Biological Architectures for simulating Complex Hierarchical Interactions (HIBACHI) method and prototype software for simulating data in this manner. This approach combines a biological hierarchy, a flexible mathematical framework, a liability threshold model for defining disease endpoints, and a heuristic search strategy for identifying high-order epistatic models of disease susceptibility. We provide several simulation examples using genetic models exhibiting independent main effects and three-way epistatic effects. PMID:25395175

  1. 22. A closeup interior view of the duct work and ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    22. A close-up interior view of the duct work and mechanical equipment used in the delivery of the grain to the upper level grain conveyor system for Elevator and Silo Complex B (1932). - Quaker Oats Cereal Factory, Southeast corner of Broadway & Mill Streets, Akron, Summit County, OH

  2. 24. AIRCONDITIONING DUCT, WINCH CONTROL BOX, AND SPEAKER AT STATION ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    24. AIR-CONDITIONING DUCT, WINCH CONTROL BOX, AND SPEAKER AT STATION 85.5 OF MST. FOLDED-UP PLATFORM ON RIGHT OF PHOTO. - Vandenberg Air Force Base, Space Launch Complex 3, Launch Pad 3 East, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  3. 29. DETAIL OF OUTLET DUCTS FOR MST AIRCONDITIONING SYSTEM IN ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    29. DETAIL OF OUTLET DUCTS FOR MST AIR-CONDITIONING SYSTEM IN NORTHWEST CORNER OF SLC-3W MST STATION 70.5 (LOWEST PAYLOAD SERVICE STATION). NOTE RING ATTACHMENT FOR PERSONNEL SAFETY HARNESS IN LEFT FOREGROUND. - Vandenberg Air Force Base, Space Launch Complex 3, Launch Pad 3 West, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  4. ATP release, generation and hydrolysis in exocrine pancreatic duct cells.

    PubMed

    Kowal, J M; Yegutkin, G G; Novak, I

    2015-12-01

    Extracellular adenosine triphosphate (ATP) regulates pancreatic duct function via P2Y and P2X receptors. It is well known that ATP is released from upstream pancreatic acinar cells. The ATP homeostasis in pancreatic ducts, which secrete bicarbonate-rich fluid, has not yet been examined. First, our aim was to reveal whether pancreatic duct cells release ATP locally and whether they enzymatically modify extracellular nucleotides/sides. Second, we wished to explore which physiological and pathophysiological factors may be important in these processes. Using a human pancreatic duct cell line, Capan-1, and online luminescence measurement, we detected fast ATP release in response to pH changes, bile acid, mechanical stress and hypo-osmotic stress. ATP release following hypo-osmotic stress was sensitive to drugs affecting exocytosis, pannexin-1, connexins, maxi-anion channels and transient receptor potential cation channel subfamily V member 4 (TRPV4) channels, and corresponding transcripts were expressed in duct cells. Direct stimulation of intracellular Ca(2+) and cAMP signalling and ethanol application had negligible effects on ATP release. The released ATP was sequentially dephosphorylated through ecto-nucleoside triphosphate diphosphohydrolase (NTPDase2) and ecto-5'-nucleotidase/CD73 reactions, with respective generation of adenosine diphosphate (ADP) and adenosine and their maintenance in the extracellular medium at basal levels. In addition, Capan-1 cells express counteracting adenylate kinase (AK1) and nucleoside diphosphate kinase (NDPK) enzymes (NME1, 2), which contribute to metabolism and regeneration of extracellular ATP and other nucleotides (ADP, uridine diphosphate (UDP) and uridine triphosphate (UTP)). In conclusion, we illustrate a complex regulation of extracellular purine homeostasis in a pancreatic duct cell model involving: ATP release by several mechanisms and subsequent nucleotide breakdown and ATP regeneration via counteracting nucleotide

  5. ATP release, generation and hydrolysis in exocrine pancreatic duct cells.

    PubMed

    Kowal, J M; Yegutkin, G G; Novak, I

    2015-12-01

    Extracellular adenosine triphosphate (ATP) regulates pancreatic duct function via P2Y and P2X receptors. It is well known that ATP is released from upstream pancreatic acinar cells. The ATP homeostasis in pancreatic ducts, which secrete bicarbonate-rich fluid, has not yet been examined. First, our aim was to reveal whether pancreatic duct cells release ATP locally and whether they enzymatically modify extracellular nucleotides/sides. Second, we wished to explore which physiological and pathophysiological factors may be important in these processes. Using a human pancreatic duct cell line, Capan-1, and online luminescence measurement, we detected fast ATP release in response to pH changes, bile acid, mechanical stress and hypo-osmotic stress. ATP release following hypo-osmotic stress was sensitive to drugs affecting exocytosis, pannexin-1, connexins, maxi-anion channels and transient receptor potential cation channel subfamily V member 4 (TRPV4) channels, and corresponding transcripts were expressed in duct cells. Direct stimulation of intracellular Ca(2+) and cAMP signalling and ethanol application had negligible effects on ATP release. The released ATP was sequentially dephosphorylated through ecto-nucleoside triphosphate diphosphohydrolase (NTPDase2) and ecto-5'-nucleotidase/CD73 reactions, with respective generation of adenosine diphosphate (ADP) and adenosine and their maintenance in the extracellular medium at basal levels. In addition, Capan-1 cells express counteracting adenylate kinase (AK1) and nucleoside diphosphate kinase (NDPK) enzymes (NME1, 2), which contribute to metabolism and regeneration of extracellular ATP and other nucleotides (ADP, uridine diphosphate (UDP) and uridine triphosphate (UTP)). In conclusion, we illustrate a complex regulation of extracellular purine homeostasis in a pancreatic duct cell model involving: ATP release by several mechanisms and subsequent nucleotide breakdown and ATP regeneration via counteracting nucleotide

  6. An isolated nasolacrimal duct osteoma.

    PubMed

    Kim, Joo Yeon; Kwon, Jae Hwan

    2013-07-01

    Osteomas of the nose and paranasal sinus are common benign tumors that can extend to surrounding structures and result in orbital or intracranial involvement. Presenting symptoms include facial pain, headache, cerebral symptoms, ocular symptoms, and so on, depending on the location and size of the tumor. They commonly occur within the frontal, ethmoid, maxillary, and sphenoid sinuses; however, there are rare cases of reported osteomas in the nasal cavity, turbinate, or orbit. Our case report describes a patient with nasolacrimal duct osteoma who presented with ipsilateral ocular pain, epiphora, and medial canthal swelling. We performed intranasal dacryocystorhinostomy using a nasal endoscope and removed the lacrimal duct osteoma. This report describes symptoms and management of an isolated nasolacrimal duct stone with a review of the literature.

  7. Computational simulations of copper complexes relevant to Alzheimer's disease

    NASA Astrophysics Data System (ADS)

    Alí-Torres, Jorge; Marechal, Jean-Didier; Mirats, Andrea; Rodríguez-Rodríguez, Cristina; Rodríguez-Santiago, Luis; Sodupe, Mariona

    2014-10-01

    Metal cations such as Cu2+ have been shown to induce amyloid aggregation and formation of reactive oxygen species. Elucidation of the structural features of Cu2+-Aβ is thus, essential to understand their role in the aggregation of Aβ, formation of ROS and to rationally design new chelators with potential therapeutic applications. Present contribution reviews our computational studies in this field. First, computational strategies used to determine three dimensional structures for Cu2+Aβ(1-16) and the redox properties of these complexes will be discussed and second, we will summarize our recent studies on Cu2+ chelators.

  8. [Postoperative handling in biliodigestive derivation by iatrogenic bile duct injury].

    PubMed

    Domínguez, I; Mercado, M A

    2008-01-01

    Bile duct injury is a severe complication related to cholecystectomy, impacting in the long-term quality of life and functional status. Bile duct repair is the first-line treatment for complex injuries. During short-term and long-term postoperative care, it is important to bear in mind the diagnostic tools, both laboratory and imaging, that will be useful to evaluate a possible surgical complication and to plan an adequate therapeutic strategy. In addition, post-surgical classification describes patients according to their complications and clinical course. In this review we describe the principal issues of postoperative care after bile duct repair, highlighting the diagnosis, severity classification and therapeutic approach of acute cholangitis.

  9. General Information about Extrahepatic Bile Duct Cancer

    MedlinePlus

    ... Bile Duct Cancer Treatment (PDQ®)–Patient Version General Information About Bile Duct Cancer Go to Health Professional ... the PDQ Adult Treatment Editorial Board . Clinical Trial Information A clinical trial is a study to answer ...

  10. Numerical simulation of laminar reacting flows with complex chemistry

    SciTech Connect

    Day, Marcus S.; Bell, John B.

    1999-12-01

    We present an adaptive algorithm for low Mach number reacting flows with complex chemistry. Our approach uses a form of the low Mach number equations that discretely conserves both mass and energy. The discretization methodology is based on a robust projection formulation that accommodates large density contrasts. The algorithm uses an operator-split treatment of stiff reaction terms and includes effects of differential diffusion. The basic computational approach is embedded in an adaptive projection framework that uses structured hierarchical grids with subcycling in time that preserves the discrete conservation properties of the underlying single-grid algorithm. We present numerical examples illustrating the performance of the method on both premixed and non-premixed flames.

  11. Automatic Assessment of Complex Task Performance in Games and Simulations. CRESST Report 775

    ERIC Educational Resources Information Center

    Iseli, Markus R.; Koenig, Alan D.; Lee, John J.; Wainess, Richard

    2010-01-01

    Assessment of complex task performance is crucial to evaluating personnel in critical job functions such as Navy damage control operations aboard ships. Games and simulations can be instrumental in this process, as they can present a broad range of complex scenarios without involving harm to people or property. However, "automatic" performance…

  12. Viscous flow computations for elliptical two-duct version of the SSME hot gas manifold

    NASA Technical Reports Server (NTRS)

    Roger, R. P.

    1986-01-01

    The objective of the effort was to numerically simulate viscous subsonic flow in a proposed elliptical two-duct version of the fuel side Hot Gas Manifold (HGM) for the Space Shuttle Main Engine (SSME). The numerical results were to complement both water flow and air flow experiments in the two-duct geometry performed at NASA-MSFC and Rocketdyne. The three-dimensional character of the HGM consists of two essentially different geometries. The first part of the construction is a concentric shell duct structure which channels the gases from a turbine exit into the second part comprised of two cylindrically shaped transfer ducts. The initial concentric shell portion can be further subdivided into a turnaround section and a bowl section. The turnaround duct (TAD) changes the direction of the mean flow by 180 degress from a smaller radius to a larger radius duct which discharges into the bowl. The cylindrical transfer ducts are attached to the bowl on one side thus providing a plane of symmetry midway between the two. Centerline flow distance from the TAD inlet to the transfer duct exit is approximately two feet. Details of the approach used to numerically simulate laminar or turbulent flow in the HGM geometry are presented. Computational results are presented and discussed.

  13. Effect of motion cues during complex curved approach and landing tasks: A piloted simulation study

    NASA Technical Reports Server (NTRS)

    Scanlon, Charles H.

    1987-01-01

    A piloted simulation study was conducted to examine the effect of motion cues using a high fidelity simulation of commercial aircraft during the performance of complex approach and landing tasks in the Microwave Landing System (MLS) signal environment. The data from these tests indicate that in a high complexity MLS approach task with moderate turbulence and wind, the pilot uses motion cues to improve path tracking performance. No significant differences in tracking accuracy were noted for the low and medium complexity tasks, regardless of the presence of motion cues. Higher control input rates were measured for all tasks when motion was used. Pilot eye scan, as measured by instrument dwell time, was faster when motion cues were used regardless of the complexity of the approach tasks. Pilot comments indicated a preference for motion. With motion cues, pilots appeared to work harder in all levels of task complexity and to improve tracking performance in the most complex approach task.

  14. Technology Solutions Case Study: New Insights for Improving the Designs of Flexible Duct Junction Boxes

    SciTech Connect

    2014-01-01

    In this project, IBACOS explored the relationships between pressure and physical configurations of flexible duct junction boxes by using computational fluid dynamics simulations to predict individual box parameters and total system pressure, thereby ensuring improved HVAC performance.

  15. Genetic Simulation Tools for Post-Genome Wide Association Studies of Complex Diseases

    PubMed Central

    Amos, Christopher I.; Bafna, Vineet; Hauser, Elizabeth R.; Hernandez, Ryan D.; Li, Chun; Liberles, David A.; McAllister, Kimberly; Moore, Jason H.; Paltoo, Dina N.; Papanicolaou, George J.; Peng, Bo; Ritchie, Marylyn D.; Rosenfeld, Gabriel; Witte, John S.

    2014-01-01

    Genetic simulation programs are used to model data under specified assumptions to facilitate the understanding and study of complex genetic systems. Standardized data sets generated using genetic simulation are essential for the development and application of novel analytical tools in genetic epidemiology studies. With continuing advances in high-throughput genomic technologies and generation and analysis of larger, more complex data sets, there is a need for updating current approaches in genetic simulation modeling. To provide a forum to address current and emerging challenges in this area, the National Cancer Institute (NCI) sponsored a workshop, entitled “Genetic Simulation Tools for Post-Genome Wide Association Studies of Complex Diseases” at the National Institutes of Health (NIH) in Bethesda, Maryland on March 11-12, 2014. The goals of the workshop were to: (i) identify opportunities, challenges and resource needs for the development and application of genetic simulation models; (ii) improve the integration of tools for modeling and analysis of simulated data; and (iii) foster collaborations to facilitate development and applications of genetic simulation. During the course of the meeting the group identified challenges and opportunities for the science of simulation, software and methods development, and collaboration. This paper summarizes key discussions at the meeting, and highlights important challenges and opportunities to advance the field of genetic simulation. PMID:25371374

  16. Genetic simulation tools for post-genome wide association studies of complex diseases.

    PubMed

    Chen, Huann-Sheng; Hutter, Carolyn M; Mechanic, Leah E; Amos, Christopher I; Bafna, Vineet; Hauser, Elizabeth R; Hernandez, Ryan D; Li, Chun; Liberles, David A; McAllister, Kimberly; Moore, Jason H; Paltoo, Dina N; Papanicolaou, George J; Peng, Bo; Ritchie, Marylyn D; Rosenfeld, Gabriel; Witte, John S; Gillanders, Elizabeth M; Feuer, Eric J

    2015-01-01

    Genetic simulation programs are used to model data under specified assumptions to facilitate the understanding and study of complex genetic systems. Standardized data sets generated using genetic simulation are essential for the development and application of novel analytical tools in genetic epidemiology studies. With continuing advances in high-throughput genomic technologies and generation and analysis of larger, more complex data sets, there is a need for updating current approaches in genetic simulation modeling. To provide a forum to address current and emerging challenges in this area, the National Cancer Institute (NCI) sponsored a workshop, entitled "Genetic Simulation Tools for Post-Genome Wide Association Studies of Complex Diseases" at the National Institutes of Health (NIH) in Bethesda, Maryland on March 11-12, 2014. The goals of the workshop were to (1) identify opportunities, challenges, and resource needs for the development and application of genetic simulation models; (2) improve the integration of tools for modeling and analysis of simulated data; and (3) foster collaborations to facilitate development and applications of genetic simulation. During the course of the meeting, the group identified challenges and opportunities for the science of simulation, software and methods development, and collaboration. This paper summarizes key discussions at the meeting, and highlights important challenges and opportunities to advance the field of genetic simulation.

  17. Simulation-based parameter estimation for complex models: a breast cancer natural history modelling illustration.

    PubMed

    Chia, Yen Lin; Salzman, Peter; Plevritis, Sylvia K; Glynn, Peter W

    2004-12-01

    Simulation-based parameter estimation offers a powerful means of estimating parameters in complex stochastic models. We illustrate the application of these ideas in the setting of a natural history model for breast cancer. Our model assumes that the tumor growth process follows a geometric Brownian motion; parameters are estimated from the SEER registry. Our discussion focuses on the use of simulation for computing the maximum likelihood estimator for this class of models. The analysis shows that simulation provides a straightforward means of computing such estimators for models of substantial complexity.

  18. Enhancing Complex System Performance Using Discrete-Event Simulation

    SciTech Connect

    Allgood, Glenn O; Olama, Mohammed M; Lake, Joe E

    2010-01-01

    In this paper, we utilize discrete-event simulation (DES) merged with human factors analysis to provide the venue within which the separation and deconfliction of the system/human operating principles can occur. A concrete example is presented to illustrate the performance enhancement gains for an aviation cargo flow and security inspection system achieved through the development and use of a process DES. The overall performance of the system is computed, analyzed, and optimized for the different system dynamics. Various performance measures are considered such as system capacity, residual capacity, and total number of pallets waiting for inspection in the queue. These metrics are performance indicators of the system's ability to service current needs and respond to additional requests. We studied and analyzed different scenarios by changing various model parameters such as the number of pieces per pallet ratio, number of inspectors and cargo handling personnel, number of forklifts, number and types of detection systems, inspection modality distribution, alarm rate, and cargo closeout time. The increased physical understanding resulting from execution of the queuing model utilizing these vetted performance measures identified effective ways to meet inspection requirements while maintaining or reducing overall operational cost and eliminating any shipping delays associated with any proposed changes in inspection requirements. With this understanding effective operational strategies can be developed to optimally use personnel while still maintaining plant efficiency, reducing process interruptions, and holding or reducing costs.

  19. Common and Uncommon Anatomical Variants of Intrahepatic Bile Ducts in Magnetic Resonance Cholangiopancreatography and its Clinical Implication

    PubMed Central

    Sarawagi, Radha; Sundar, Shyam; Raghuvanshi, Sameer; Gupta, Sanjeev Kumar; Jayaraman, Gopal

    2016-01-01

    Summary Background Preoperative knowledge of intrahepatic bile duct (IHD) anatomy is critical for planning liver resections, liver transplantations and complex biliary reconstructive surgery. The purpose of our study was to demonstrate the imaging features of various anatomical variants of IHD using magnetic resonance cholangio-pancreatography (MRCP) and their prevalence in our population. Material/Methods This observational clinical evaluation study included 224 patients who were referred for MRCP. MRCP was performed in a 1.5-Tesla magnet (Philips) with SSH MRCP 3DHR and SSHMRCP rad protocol. A senior radiologist assessed the biliary passage for anatomical variations. Results The branching pattern of the right hepatic duct (RHD) was typical in 55.3% of subjects. The most common variant was right posterior sectoral duct (RPSD) draining into the left hepatic duct (LHD) in 27.6% of subjects. Trifurcation pattern was noted in 9.3% of subjects. In 4% of subjects, RPSD was draining into the common hepatic duct (CHD) and in 0.8% of subjects into the cystic duct. Other variants were noted in 2.6% of subjects. In 4.9% of cases there was an accessory duct. The most common type of LHD branching pattern was a common trunk of segment 2 and 3 ducts joining the segment 4 duct in 67.8% of subjects. In 23.2% of subjects, segment 2 duct united with the common trunk of segment 3 and 4 and in 3.4% of subjects segment 2, 3, and 4 ducts united together to form LHD. Other uncommon branching patterns of LHD were seen in 4.9% of subjects. Conclusions Intrahepatic bile duct anatomy is complex with many common and uncommon variations. MRCP is a reliable non-invasive imaging method for demonstration of bile duct morphology, which is useful to plan complex surgeries and to prevent iatrogenic injuries. PMID:27298653

  20. Vitellointestinal Duct Anomalies in Infancy

    PubMed Central

    Kadian, Yogender Singh; Verma, Anjali; Rattan, Kamal Nain; Kajal, Pardeep

    2016-01-01

    Background: Vitellointestinal duct (VID) or omphalomesenteric duct anomalies are secondary to the persistence of the embryonic vitelline duct, which normally obliterates by weeks 5–9 of intrauterine life. Methods: This is a retrospective analysis of a total of 16 patients of symptomatic remnants of vitellointestinal duct from period of Jan 2009 to May 2013. Results: Male to female ratio (M:F) was 4.3:1 and mean age of presentation was 2 months and their mode of presentation was: patent VID in 9 (56.25%) patients, umbilical cyst in 2(12.25%), umbilical granuloma in 2 (12.25%), and Meckel diverticulum as content of hernia sac in obstructed umbilical hernia in 1 (6.25%) patient. Two patients with umbilical fistula had severe electrolyte disturbance and died without surgical intervention. Conclusion: Persistent VID may have varied presentations in infancy. High output umbilical fistula and excessive bowel prolapse demand urgent surgical intervention to avoid morbidity and mortality. PMID:27433448

  1. Arc Reflector For Welding Ducts

    NASA Technical Reports Server (NTRS)

    Gilbert, Jeffrey L.

    1990-01-01

    Arc-light reflector for through-the-torch welding vision system designed expressly for use in welding ducts of small diameter. Cylindrical reflector positioned to reflect light diffusely from welding arc onto nearby surface of workpiece for most advantageous viewing along axis of welding torch.

  2. Design and performance of duct acoustic treatment

    NASA Technical Reports Server (NTRS)

    Motsinger, R. E.; Kraft, R. E.

    1991-01-01

    The procedure for designing acoustic treatment panels used to line the walls of aircraft engine ducts and for estimating the resulting suppression of turbofan engine duct noise is discussed. This procedure is intended to be used for estimating noise suppression of existing designs or for designing new acoustic treatment panels and duct configurations to achieve desired suppression levels.

  3. Classification and management of bile duct injuries.

    PubMed

    Mercado, Miguel Angel; Domínguez, Ismael

    2011-04-27

    To review the classification and general guidelines for treatment of bile duct injury patients and their long term results. In a 20-year period, 510 complex circumferential injuries have been referred to our team for repair at the Instituto Nacional de Ciencias Médicas y Nutrición "Salvador Zubirán" hospital in Mexico City and 198 elsewhere (private practice). The records at the third level Academic University Hospital were analyzed and divided into three periods of time: GI-1990-99 (33 cases), GII- 2000-2004 (139 cases) and GIII- 2004-2008 (140 cases). All patients were treated with a Roux en Y hepatojejunostomy. A decrease in using transanastomotic stents was observed (78% vs 2%, P = 0.0001). Partial segment IV and V resection was more frequently carried out (45% vs 75%, P = 0.2) (to obtain a high bilioenteric anastomosis). Operative mortality (3% vs 0.7%, P = 0.09), postoperative cholangitis (54% vs 13%, P = 0.0001), anastomosis strictures (30% vs 5%, P = 0.0001), short and long term complications and need for reoperation (surgical or radiological) (45% vs 11%, P = 0.0001) were significantly less in the last period. The authors concluded that transition to a high volume center has improved long term results for bile duct injury repair. Even interested and tertiary care centers have a learning curve.

  4. Qualitative and Quantitative Protein Complex Prediction Through Proteome-Wide Simulations.

    PubMed

    Rizzetto, Simone; Priami, Corrado; Csikász-Nagy, Attila

    2015-10-01

    Despite recent progress in proteomics most protein complexes are still unknown. Identification of these complexes will help us understand cellular regulatory mechanisms and support development of new drugs. Therefore it is really important to establish detailed information about the composition and the abundance of protein complexes but existing algorithms can only give qualitative predictions. Herein, we propose a new approach based on stochastic simulations of protein complex formation that integrates multi-source data--such as protein abundances, domain-domain interactions and functional annotations--to predict alternative forms of protein complexes together with their abundances. This method, called SiComPre (Simulation based Complex Prediction), achieves better qualitative prediction of yeast and human protein complexes than existing methods and is the first to predict protein complex abundances. Furthermore, we show that SiComPre can be used to predict complexome changes upon drug treatment with the example of bortezomib. SiComPre is the first method to produce quantitative predictions on the abundance of molecular complexes while performing the best qualitative predictions. With new data on tissue specific protein complexes becoming available SiComPre will be able to predict qualitative and quantitative differences in the complexome in various tissue types and under various conditions.

  5. Promoting Conceptual Change for Complex Systems Understanding: Outcomes of an Agent-Based Participatory Simulation

    NASA Astrophysics Data System (ADS)

    Rates, Christopher A.; Mulvey, Bridget K.; Feldon, David F.

    2016-08-01

    Components of complex systems apply across multiple subject areas, and teaching these components may help students build unifying conceptual links. Students, however, often have difficulty learning these components, and limited research exists to understand what types of interventions may best help improve understanding. We investigated 32 high school students' understandings of complex systems components and whether an agent-based simulation could improve their understandings. Pretest and posttest essays were coded for changes in six components to determine whether students showed more expert thinking about the complex system of the Chesapeake Bay watershed. Results showed significant improvement for the components Emergence ( r = .26, p = .03), Order ( r = .37, p = .002), and Tradeoffs ( r = .44, p = .001). Implications include that the experiential nature of the simulation has the potential to support conceptual change for some complex systems components, presenting a promising option for complex systems instruction.

  6. Inference, simulation, modeling, and analysis of complex networks, with special emphasis on complex networks in systems biology

    NASA Astrophysics Data System (ADS)

    Christensen, Claire Petra

    Across diverse fields ranging from physics to biology, sociology, and economics, the technological advances of the past decade have engendered an unprecedented explosion of data on highly complex systems with thousands, if not millions of interacting components. These systems exist at many scales of size and complexity, and it is becoming ever-more apparent that they are, in fact, universal, arising in every field of study. Moreover, they share fundamental properties---chief among these, that the individual interactions of their constituent parts may be well-understood, but the characteristic behaviour produced by the confluence of these interactions---by these complex networks---is unpredictable; in a nutshell, the whole is more than the sum of its parts. There is, perhaps, no better illustration of this concept than the discoveries being made regarding complex networks in the biological sciences. In particular, though the sequencing of the human genome in 2003 was a remarkable feat, scientists understand that the "cellular-level blueprints" for the human being are cellular-level parts lists, but they say nothing (explicitly) about cellular-level processes. The challenge of modern molecular biology is to understand these processes in terms of the networks of parts---in terms of the interactions among proteins, enzymes, genes, and metabolites---as it is these processes that ultimately differentiate animate from inanimate, giving rise to life! It is the goal of systems biology---an umbrella field encapsulating everything from molecular biology to epidemiology in social systems---to understand processes in terms of fundamental networks of core biological parts, be they proteins or people. By virtue of the fact that there are literally countless complex systems, not to mention tools and techniques used to infer, simulate, analyze, and model these systems, it is impossible to give a truly comprehensive account of the history and study of complex systems. The author

  7. The Detection of Radiated Modes from Ducted Fan Engines

    NASA Technical Reports Server (NTRS)

    Farassat, F.; Nark, Douglas M.; Thomas, Russell H.

    2001-01-01

    The bypass duct of an aircraft engine is a low-pass filter allowing some spinning modes to radiate outside the duct. The knowledge of the radiated modes can help in noise reduction, as well as the diagnosis of noise generation mechanisms inside the duct. We propose a nonintrusive technique using a circular microphone array outside the engine measuring the complex noise spectrum on an arc of a circle. The array is placed at various axial distances from the inlet or the exhaust of the engine. Using a model of noise radiation from the duct, an overdetermined system of linear equations is constructed for the complex amplitudes of the radial modes for a fixed circumferential mode. This system of linear equations is generally singular, indicating that the problem is illposed. Tikhonov regularization is employed to solve this system of equations for the unknown amplitudes of the radiated modes. An application of our mode detection technique using measured acoustic data from a circular microphone array is presented. We show that this technique can reliably detect radiated modes with the possible exception of modes very close to cut-off.

  8. Coexistence of multiple omphalomesenteric duct anomalies.

    PubMed

    Ioannidis, Orestis; Paraskevas, George; Kakoutis, Emmanouil; Kotronis, Anastasios; Papadimitriou, Nikos; Chatzopoulos, Stavros; Makrantonakis, Apostolos

    2012-08-01

    The omphalomesenteric duct is an embryonic structure which connects the yolk sac to the midgut. The omphalomesenteric duct attenuates between the 5th and 9th week of gestation. Failure of the omphalomesenteric duct involution, either partial or complete, results in various omphalomesenteric duct remnants including Meckel's diverticulum, patent vitelline duct, fibrous band, sinus tract, umbilical polyp and cyst. Omphalomesenteric duct remnants are present in 2% of the population but related diseases have seldom been reported in adults. The simultaneous presence of sinus tract, omphalomesenteric cyst, fibrous ligament and Meckel's diverticulum has, according to authors' knowledge, never been reported. We present a case of a 23 years old male with persisting umbilical discharge for 2 years in whom there was coexistence of the above mentioned anomalies of the omphalomesenteric duct.

  9. Performance and Flowfield Measurements on a 10-inch Ducted Rotor VTOL UAV

    NASA Technical Reports Server (NTRS)

    Martin, Preston; Tung, Chee

    2004-01-01

    A ducted fan VTOL UAV with a 10-inch diameter rotor was tested in the US Army 7-by 10-Foot Wind Tunnel. The test conditions covered a range of angle of attack from 0 to 110 degrees to the freestream. The tunnel velocity was varied from 0 (simulating a hover condition) to 128 ft/sec in propeller mode. A six-component internal balance measured the aerodynamic loads for a range of model configurations. including the isolated rotor, the isolated duct, and the full configuration of the duct and rotor. For some conditions, hotwire velocity surveys were conducted along the inner and outer surface of the duct and across the downstream wake. In addition, fluorescent oil flow visualization allowed the flow separation patterns inside and outside of the duct to be mapped for a few test conditions. Two different duct shapes were tested to determine the performance effects of leading edge radius. For each duct, a range of rotor tip gap from 1%R to 4.5%R was tested to determine the performance penalty in hover and axial flight. Measured results are presented in terms of hover performance, hover performance in a crosswind, and high angle of attack performance in propeller mode. In each case, the effects of both tip gap and duct leading edge radius are illustrated using measurements. Some of the hover performance issues were also studied using a simple analytical method, and the results agreed with the measurements.

  10. Experimental and Numerical Study on Performance of Ducted Hydrokinetic Turbines with Pre-Swirl Stator Blades.

    NASA Astrophysics Data System (ADS)

    Gish, Andrew

    2015-11-01

    Ducts (also called shrouds) have been shown to improve performance of hydrokinetic turbines in some situations, bringing the power coefficient (Cp) closer to the Betz limit. Here we investigate optimization of the duct design as well as the addition of stator blades upstream of the turbine rotor to introduce pre-swirl in the flow. A small scale three-bladed turbine was tested in a towing tank. Three cases (bare turbine, with duct, and with duct and stators) were tested over a range of flow speeds. Important parameters include duct cross-sectional shape, blade-duct gap, stator cross-sectional shape, and stator angle. For each test, Cp was evaluated as a function of tip speed ratio (TSR). Experimental results were compared with numerical simulations. Results indicate that ducts and stators can improve performance at slower flow speeds and lower the stall speed compared to a bare turbine, but may degrade performance at higher speeds. Ongoing efforts to optimize duct and stator configurations will be discussed.

  11. Tear-ducts in wine

    NASA Astrophysics Data System (ADS)

    Bush, John W. M.

    1999-11-01

    We examine the radial spoke pattern evident in the meniscus region in glasses of strong alcoholic beverages exhibiting the `tears-in-wine' phenomenon. We demonstrate that the pattern results from ridge-like elevations of the free surface which are supported by evaporatively-driven Marangoni convection in the meniscus region. Vortices associated with the convective motions are aligned in the radial direction by the surface tension gradient responsible for the generation of tears. The radial flow is focussed into the ridges, which thus serve as the principal conduits of fluid for the tears; consequently, we refer to the ridges as `tear-ducts'. The phenomenon is examined experimentally, and a numerical model of evaporatively-driven Marangoni convection is developed which reproduces the salient features of the tear-duct phenomenon.

  12. HAARP-Induced Ionospheric Ducts

    SciTech Connect

    Milikh, Gennady; Vartanyan, Aram

    2011-01-04

    It is well known that strong electron heating by a powerful HF-facility can lead to the formation of electron and ion density perturbations that stretch along the magnetic field line. Those density perturbations can serve as ducts for ELF waves, both of natural and artificial origin. This paper presents observations of the plasma density perturbations caused by the HF-heating of the ionosphere by the HAARP facility. The low orbit satellite DEMETER was used as a diagnostic tool to measure the electron and ion temperature and density along the satellite orbit overflying close to the magnetic zenith of the HF-heater. Those observations will be then checked against the theoretical model of duct formation due to HF-heating of the ionosphere. The model is based on the modified SAMI2 code, and is validated by comparison with well documented experiments.

  13. Applications of the COG multiparticle Monte Carlo transport code to simulated imaging of complex objects

    SciTech Connect

    Buck, R M; Hall, J M

    1999-06-01

    COG is a major multiparticle simulation code in the LLNL Monte Carlo radiation transport toolkit. It was designed to solve deep-penetration radiation shielding problems in arbitrarily complex 3D geometries, involving coupled transport of photons, neutrons, and electrons. COG was written to provide as much accuracy as the underlying cross-sections will allow, and has a number of variance-reduction features to speed computations. Recently COG has been applied to the simulation of high- resolution radiographs of complex objects and the evaluation of contraband detection schemes. In this paper we will give a brief description of the capabilities of the COG transport code and show several examples of neutron and gamma-ray imaging simulations. Keywords: Monte Carlo, radiation transport, simulated radiography, nonintrusive inspection, neutron imaging.

  14. Numerical study of acoustic instability in a partly lined flow duct using the full linearized Navier-Stokes equations

    NASA Astrophysics Data System (ADS)

    Xin, Bo; Sun, Dakun; Jing, Xiaodong; Sun, Xiaofeng

    2016-07-01

    Lined ducts are extensively applied to suppress noise emission from aero-engines and other turbomachines. The complex noise/flow interaction in a lined duct possibly leads to acoustic instability in certain conditions. To investigate the instability, the full linearized Navier-Stokes equations with eddy viscosity considered are solved in frequency domain using a Galerkin finite element method to compute the sound transmission in shear flow in the lined duct as well as the flow perturbation over the impedance wall. A good agreement between the numerical predictions and the published experimental results is obtained for the sound transmission, showing that a transmission peak occurs around the resonant frequency of the acoustic liner in the presence of shear flow. The eddy viscosity is an important influential factor that plays the roles of both providing destabilizing and making coupling between the acoustic and flow motions over the acoustic liner. Moreover, it is shown from the numerical investigation that the occurrence of the sound amplification and the magnitude of transmission coefficient are closely related to the realistic velocity profile, and we find it essential that the actual variation of the velocity profile in the axial direction over the liner surface be included in the computation. The simulation results of the periodic flow patterns possess the proper features of the convective instability over the liner, as observed in Marx et al.'s experiment. A quantitative comparison between numerical and experimental results of amplitude and phase of the instability is performed. The corresponding eigenvalues achieve great agreement.

  15. Ducted propeller design and analysis

    SciTech Connect

    Weir, R.J.

    1987-10-01

    The theory and implementation of the design of a ducted propeller blade are presented and discussed. Straightener (anti-torque) vane design is also discussed. Comparisons are made to an existing propeller design and the results and performance of two example propeller blades are given. The inflow velocity at the propeller plane is given special attention and two dimensionless parameters independent of RPM are discussed. Errors in off-design performance are also investigated. 11 refs., 26 figs.

  16. Duct leakage impacts on VAV system performance in California large commercial buildings

    SciTech Connect

    Wray, Craig P.; Matson, Nance E.

    2003-10-01

    The purpose of this study is to evaluate the variability of duct leakage impacts on air distribution system performance for typical large commercial buildings in California. Specifically, a hybrid DOE-2/TRNSYS sequential simulation approach was used to model the energy use of a low-pressure terminal-reheat variable-air-volume (VAV) HVAC system with six duct leakage configurations (tight to leaky) in nine prototypical large office buildings (representing three construction eras in three California climates where these types of buildings are common). Combined fan power for the variable-speed-controlled supply and return fans at design conditions was assumed to be 0.8 W/cfm. Based on our analyses of the 54 simulation cases, the increase in annual fan energy is estimated to be 40 to 50% for a system with a total leakage of 19% at design conditions compared to a tight system with 5% leakage. Annual cooling plant energy also increases by about 7 to 10%, but reheat energy decreases (about 3 to 10%). In combination, the increase in total annual HVAC site energy is 2 to 14%. The total HVAC site energy use includes supply and return fan electricity consumption, chiller and cooling tower electricity consumption, boiler electricity consumption, and boiler natural gas consumption. Using year 2000 average commercial sector energy prices for California ($0.0986/kWh and $7.71/Million Btu), the energy increases result in 9 to 18% ($7,400 to $9,500) increases in HVAC system annual operating costs. Normalized by duct surface area, the increases in annual operating costs are 0.14 to 0.18 $/ft{sup 2}. Using a suggested one-time duct sealing cost of $0.20 per square foot of duct surface area, these results indicate that sealing leaky ducts in VAV systems has a simple payback period of about 1.3 years. Even with total leakage rates as low as 10%, duct sealing is still cost effective. This suggests that duct sealing should be considered at least for VAV systems with 10% or more total duct

  17. Determination of thermodynamic values of acidic dissociation constants and complexation constants of profens and their utilization for optimization of separation conditions by Simul 5 Complex.

    PubMed

    Riesová, Martina; Svobodová, Jana; Ušelová, Kateřina; Tošner, Zdeněk; Zusková, Iva; Gaš, Bohuslav

    2014-10-17

    In this paper we determine acid dissociation constants, limiting ionic mobilities, complexation constants with β-cyclodextrin or heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin, and mobilities of resulting complexes of profens, using capillary zone electrophoresis and affinity capillary electrophoresis. Complexation parameters are determined for both neutral and fully charged forms of profens and further corrected for actual ionic strength and variable viscosity in order to obtain thermodynamic values of complexation constants. The accuracy of obtained complexation parameters is verified by multidimensional nonlinear regression of affinity capillary electrophoretic data, which provides the acid dissociation and complexation parameters within one set of measurements, and by NMR technique. A good agreement among all discussed methods was obtained. Determined complexation parameters were used as input parameters for simulations of electrophoretic separation of profens by Simul 5 Complex. An excellent agreement of experimental and simulated results was achieved in terms of positions, shapes, and amplitudes of analyte peaks, confirming the applicability of Simul 5 Complex to complex systems, and accuracy of obtained physical-chemical constants. Simultaneously, we were able to demonstrate the influence of electromigration dispersion on the separation efficiency, which is not possible using the common theoretical approaches, and predict the electromigration order reversals of profen peaks. We have shown that determined acid dissociation and complexation parameters in combination with tool Simul 5 Complex software can be used for optimization of separation conditions in capillary electrophoresis.

  18. Conformational Contribution to Thermodynamics of Binding in Protein-Peptide Complexes through Microscopic Simulation

    PubMed Central

    Das, Amit; Chakrabarti, J.; Ghosh, Mahua

    2013-01-01

    We extract the thermodynamics of conformational changes in biomacromolecular complexes from the distributions of the dihedral angles of the macromolecules. These distributions are obtained from the equilibrium configurations generated via all-atom molecular dynamics simulations. The conformational thermodynamics data we obtained for calmodulin-peptide complexes using our methodology corroborate well with the experimentally observed conformational and binding entropies. The conformational free-energy changes and their contributions for different peptide-binding regions of calmodulin are evaluated microscopically. PMID:23528087

  19. Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems.

    PubMed

    Pan, Albert C; Weinreich, Thomas M; Piana, Stefano; Shaw, David E

    2016-03-01

    Molecular dynamics (MD) simulations can describe protein motions in atomic detail, but transitions between protein conformational states sometimes take place on time scales that are infeasible or very expensive to reach by direct simulation. Enhanced sampling methods, the aim of which is to increase the sampling efficiency of MD simulations, have thus been extensively employed. The effectiveness of such methods when applied to complex biological systems like proteins, however, has been difficult to establish because even enhanced sampling simulations of such systems do not typically reach time scales at which convergence is extensive enough to reliably quantify sampling efficiency. Here, we obtain sufficiently converged simulations of three proteins to evaluate the performance of simulated tempering, a member of a widely used class of enhanced sampling methods that use elevated temperature to accelerate sampling. Simulated tempering simulations with individual lengths of up to 100 μs were compared to (previously published) conventional MD simulations with individual lengths of up to 1 ms. With two proteins, BPTI and ubiquitin, we evaluated the efficiency of sampling of conformational states near the native state, and for the third, the villin headpiece, we examined the rate of folding and unfolding. Our comparisons demonstrate that simulated tempering can consistently achieve a substantial sampling speedup of an order of magnitude or more relative to conventional MD.

  20. Research on the laser transmission characteristics simulation and comprehensive test in complex channel environment

    NASA Astrophysics Data System (ADS)

    Fu, Qiang; Liu, Jianhua; Wang, Xiaoman; Jiang, Huilin; Liu, Zhi

    2014-12-01

    The laser transmission characteristics affected in the complex channel environment, which limits the performance of laser equipment and engineering application severely. The article aim at the influence of laser transmission in atmospheric and seawater channels, summarizes the foreign researching work of the simulation and comprehensive test regarding to the laser transmission characteristics in complex environment. And researched the theory of atmospheric turbulence effect, water attenuation features, and put forward the corresponding theoretical model. And researched the simulate technology of atmospheric channel and sea water channel, put forward the analog device plan, adopt the similar theory of flowing to simulate the atmosphere turbulence .When the flowing has the same condition of geometric limits including the same Reynolds, they must be similar to each other in the motivation despite of the difference in the size, speed, and intrinsic quality. On this basis, set up a device for complex channel simulation and comprehensive testing, the overall design of the structure of the device, Hot and Cold Air Convection Simulation of Atmospheric Turbulence, mainly consists of cell body, heating systems, cooling systems, automatic control system. he simulator provides platform and method for the basic research of laser transmission characteristics in the domestic.

  1. Modeling particle loss in ventilation ducts

    SciTech Connect

    Sippola, Mark R.; Nazaroff, William W.

    2003-04-01

    Empirical equations were developed and applied to predict losses of 0.01-100 {micro}m airborne particles making a single pass through 120 different ventilation duct runs typical of those found in mid-sized office buildings. For all duct runs, losses were negligible for submicron particles and nearly complete for particles larger than 50 {micro}m. The 50th percentile cut-point diameters were 15 {micro}m in supply runs and 25 {micro}m in return runs. Losses in supply duct runs were higher than in return duct runs, mostly because internal insulation was present in portions of supply duct runs, but absent from return duct runs. Single-pass equations for particle loss in duct runs were combined with models for predicting ventilation system filtration efficiency and particle deposition to indoor surfaces to evaluate the fates of particles of indoor and outdoor origin in an archetypal mechanically ventilated building. Results suggest that duct losses are a minor influence for determining indoor concentrations for most particle sizes. Losses in ducts were of a comparable magnitude to indoor surface losses for most particle sizes. For outdoor air drawn into an unfiltered ventilation system, most particles smaller than 1 {micro}m are exhausted from the building. Large particles deposit within the building, mostly in supply ducts or on indoor surfaces. When filters are present, most particles are either filtered or exhausted. The fates of particles generated indoors follow similar trends as outdoor particles drawn into the building.

  2. Formation of Complex Amino Acid Precursors in Simulated Primitive Atmosphere and Their Alteration under Simulated Submarine Hydrothermal Conditions

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kensei; Kurihara, Hironari; Hirako, Tomoaki; Obayashi, Yumiko; Kaneko, Takeo; Takano, Yoshinori; Yoshimura, Yoshitaka

    Since late 1970's a great number of submarine hydrothermal systems (SHSs) has been dis-covered, and they are considered possible sites of chemical evolution and generation of life on the Earth since their discovery in late 1970s. A number of experiments simulating the con-ditions of SHSs were conducted, and abiotic production and polymerization of amino acids were reported. Free amino acids were frequently used as starting materials to examine possible organic reactions in the simulation experiments. In our early studies, not free amino acids but complex amino acids precursors with large molecular weights were formed abiotically from simulated primitive Earth atmosphere (a mixture of CO, N2 and H2 O) (Takano et al., 2004). Such complex organics (hereafter referred as to CNWs) should have been delivered to SHSs in Primitive Ocean, where they were subjected to further alteration. We examined possible alteration of the complex organics in high-temperature high-pressure environments by the su-percritical water flow reactor (SCWFR) (Islam et al.. 2003) and an autoclave. CNWs were quite hydrophilic compounds whose molecular weights were ca. 3000. After heating 573 K for 2 min in the SCWFR, aggregates of organics were formed, which were separated from aque-ous solution with a Nucleopore filter (pore size: 200 nm). We propose the following scenario of chemical evolution: (1) Complex organics including amino acid precursors were formed in primitive atmosphere and/or extraterrestrial environments, (ii) they were delivered to primor-dial SHSs, (iii) hydrothermal alteration occurred in SHSs to give organic aggregates, (iv) quite primitive molecular systems with subtle biological functions were generated in the competition among such aggregates. References: Islam, Md. N., Kaneko, T., and Kobayashi, K (2003). Reactions of Amino Acids with a Newly ConstructedSupercritical Water Flow Reactor Simulating Submarine Hydrothermal Systems. Bull. Chem. Soc. Jpn., 76, 1171. Takano, Y

  3. A novel multiblock immersed boundary method for large eddy simulation of complex arterial hemodynamics

    NASA Astrophysics Data System (ADS)

    Anupindi, Kameswararao; Delorme, Yann; Shetty, Dinesh A.; Frankel, Steven H.

    2013-12-01

    Computational fluid dynamics (CFD) simulations are becoming a reliable tool to understand hemodynamics, disease progression in pathological blood vessels and to predict medical device performance. Immersed boundary method (IBM) emerged as an attractive methodology because of its ability to efficiently handle complex moving and rotating geometries on structured grids. However, its application to study blood flow in complex, branching, patient-specific anatomies is scarce. This is because of the dominance of grid nodes in the exterior of the fluid domain over the useful grid nodes in the interior, rendering an inevitable memory and computational overhead. In order to alleviate this problem, we propose a novel multiblock based IBM that preserves the simplicity and effectiveness of the IBM on structured Cartesian meshes and enables handling of complex, anatomical geometries at a reduced memory overhead by minimizing the grid nodes in the exterior of the fluid domain. As pathological and medical device hemodynamics often involve complex, unsteady transitional or turbulent flow fields, a scale resolving turbulence model such as large eddy simulation (LES) is used in the present work. The proposed solver (here after referred as WenoHemo), is developed by enhancing an existing in-house high-order incompressible flow solver that was previously validated for its numerics and several LES models by Shetty et al. (2010) [33]. In the present work, WenoHemo is systematically validated for additional numerics introduced, such as IBM and the multiblock approach, by simulating laminar flow over a sphere and laminar flow over a backward facing step respectively. Then, we validate the entire solver methodology by simulating laminar and transitional flow in abdominal aortic aneurysm (AAA). Finally, we perform blood flow simulations in the challenging clinically relevant thoracic aortic aneurysm (TAA), to gain insights into the type of fluid flow patterns that exist in pathological

  4. Lipid Clustering Correlates with Membrane Curvature as Revealed by Molecular Simulations of Complex Lipid Bilayers

    PubMed Central

    Koldsø, Heidi; Shorthouse, David; Hélie, Jean; Sansom, Mark S. P.

    2014-01-01

    Cell membranes are complex multicomponent systems, which are highly heterogeneous in the lipid distribution and composition. To date, most molecular simulations have focussed on relatively simple lipid compositions, helping to inform our understanding of in vitro experimental studies. Here we describe on simulations of complex asymmetric plasma membrane model, which contains seven different lipids species including the glycolipid GM3 in the outer leaflet and the anionic lipid, phosphatidylinositol 4,5-bisphophate (PIP2), in the inner leaflet. Plasma membrane models consisting of 1500 lipids and resembling the in vivo composition were constructed and simulations were run for 5 µs. In these simulations the most striking feature was the formation of nano-clusters of GM3 within the outer leaflet. In simulations of protein interactions within a plasma membrane model, GM3, PIP2, and cholesterol all formed favorable interactions with the model α-helical protein. A larger scale simulation of a model plasma membrane containing 6000 lipid molecules revealed correlations between curvature of the bilayer surface and clustering of lipid molecules. In particular, the concave (when viewed from the extracellular side) regions of the bilayer surface were locally enriched in GM3. In summary, these simulations explore the nanoscale dynamics of model bilayers which mimic the in vivo lipid composition of mammalian plasma membranes, revealing emergent nanoscale membrane organization which may be coupled both to fluctuations in local membrane geometry and to interactions with proteins. PMID:25340788

  5. Investigation of hydrodynamics and heat transfer at liquid metal downflow in a rectangular duct in a coplanar magnetic field

    NASA Astrophysics Data System (ADS)

    Poddubnyi, I. I.; Razuvanov, N. G.

    2016-02-01

    Hydrodynamics and heat transfer in a liquid metal downflow in a rectangular duct with an aspect ratio of approximately 3/1 in a coplanar magnetic field (MF) are studied upon inhomogeneous (one-sided) heating of the duct. The flow in the heat-transfer duct of the cooling system of a liquid-metal blanket module of the tokamak-type thermonuclear reactor is modeled. Experiments were carried out at the mercury magnetohydrodynamic (MHD) test facility, which is a part of the MHD-complex of Moscow Power Engineering Institute-Joint Institute for High Temperatures of the Russian Academy of Sciences. A probe technique is used for measurements in the flow. The studies are performed within the following ranges of regime parameters: Reynolds numbers Re = 10000-55000, Hartmann numbers Ha = 0-800, and Grashof numbers Grq = 0-6 × 108. Averaged profiles of velocity, temperature, temperature fluctuations of the flow, and duct wall temperature are presented for two typical flow regimes. Detailed measurements are performed in the duct cross-section distant from the heating beginning in the region of homogeneous MF. MF leads to the turbulent transport suppression, owing to which the temperature on the heated wall increases. A considerable influence of the heat-gravitational counter-convection, the interaction of which with the external MF leads in some regimes to the appearance and development of instabilities in the laminarized flow, is revealed under the downflow conditions. Generation of large-scale secondary vortices with the axis parallel to the MF induction causes temperature fluctuations of the abnormal intensity that considerably exceeds the level of turbulent fluctuations. Such temperature fluctuations easily penetrate into the duct wall and can lead to the fatigue breakdown of thermonuclear reactor cooling paths. Ranges of unallowable regime parameters are determined and the boundary in coordinates Gr-Re is presented, where this effect is revealed or vanishes. The numerical

  6. Node retraction during patterning of the urinary collecting duct system.

    PubMed

    Lindström, Nils O; Chang, C-Hong; Valerius, M Todd; Hohenstein, Peter; Davies, Jamie A

    2015-01-01

    This report presents a novel mechanism for remodelling a branched epithelial tree. The mouse renal collecting duct develops by growth and repeated branching of an initially unbranched ureteric bud: this mechanism initially produces an almost fractal form with young branches connected to the centre of the kidney via a sequence of nodes (branch points) distributed widely throughout the developing organ. The collecting ducts of a mature kidney have a different form: from the nephrons in the renal cortex, long, straight lengths of collecting duct run almost parallel to one another through the renal medulla, and open together to the renal pelvis. Here we present time-lapse studies of E11.5 kidneys growing in culture: after about 5 days, the collecting duct trees show evidence of 'node retraction', in which the node of a 'Y'-shaped branch moves downwards, shortening the stalk of the 'Y', lengthening its arms and narrowing their divergence angle so that the 'Y' becomes a 'V'. Computer simulation suggests that node retraction can transform a spread tree, like that of an early kidney, into one with long, almost-parallel medullary rays similar to those seen in a mature real kidney. PMID:25292187

  7. Inference, simulation, modeling, and analysis of complex networks, with special emphasis on complex networks in systems biology

    NASA Astrophysics Data System (ADS)

    Christensen, Claire Petra

    Across diverse fields ranging from physics to biology, sociology, and economics, the technological advances of the past decade have engendered an unprecedented explosion of data on highly complex systems with thousands, if not millions of interacting components. These systems exist at many scales of size and complexity, and it is becoming ever-more apparent that they are, in fact, universal, arising in every field of study. Moreover, they share fundamental properties---chief among these, that the individual interactions of their constituent parts may be well-understood, but the characteristic behaviour produced by the confluence of these interactions---by these complex networks---is unpredictable; in a nutshell, the whole is more than the sum of its parts. There is, perhaps, no better illustration of this concept than the discoveries being made regarding complex networks in the biological sciences. In particular, though the sequencing of the human genome in 2003 was a remarkable feat, scientists understand that the "cellular-level blueprints" for the human being are cellular-level parts lists, but they say nothing (explicitly) about cellular-level processes. The challenge of modern molecular biology is to understand these processes in terms of the networks of parts---in terms of the interactions among proteins, enzymes, genes, and metabolites---as it is these processes that ultimately differentiate animate from inanimate, giving rise to life! It is the goal of systems biology---an umbrella field encapsulating everything from molecular biology to epidemiology in social systems---to understand processes in terms of fundamental networks of core biological parts, be they proteins or people. By virtue of the fact that there are literally countless complex systems, not to mention tools and techniques used to infer, simulate, analyze, and model these systems, it is impossible to give a truly comprehensive account of the history and study of complex systems. The author

  8. Perturbations From Ducts on the Modes of Acoustic Thermometers

    PubMed Central

    Gillis, K. A.; Lin, H.; Moldover, M. R.

    2009-01-01

    We examine the perturbations of the modes of an acoustic thermometer caused by circular ducts used either for gas flow or as acoustic waveguides coupled to remote transducers. We calculate the acoustic admittance of circular ducts using a model based on transmission line theory. The admittance is used to calculate the perturbations to the resonance frequencies and half-widths of the modes of spherical and cylindrical acoustic resonators as functions of the duct’s radius, length, and the locations of the transducers along the duct's length. To verify the model, we measured the complex acoustic admittances of a series of circular tubes as a function of length between 200 Hz and 10 kHz using a three-port acoustic coupler. The absolute magnitude of the specific acoustic admittance is approximately one. For a 1.4 mm inside-diameter, 1.4 m long tube, the root mean square difference between the measured and modeled specific admittances (both real and imaginary parts) over this frequency range was 0.018. We conclude by presenting design considerations for ducts connected to acoustic thermometers. PMID:27504227

  9. Compressive sensing based spinning mode detections by in-duct microphone arrays

    NASA Astrophysics Data System (ADS)

    Yu, Wenjun; Huang, Xun

    2016-05-01

    This paper presents a compressive sensing based experimental method for detecting spinning modes of sound waves propagating inside a cylindrical duct system. This method requires fewer dynamic pressure sensors than the number required by the Shannon-Nyquist sampling theorem so long as the incident waves are sparse in spinning modes. In this work, the proposed new method is firstly validated by preparing some of the numerical simulations with representative set-ups. Then, a duct acoustic testing rig with a spinning mode synthesiser and an in-duct microphone array is built to experimentally demonstrate the new approach. Both the numerical simulations and the experiment results are satisfactory, even when the practical issue of the background noise pollution is taken into account. The approach is beneficial for sensory array tests of silent aeroengines in particular and some other engineering systems with duct acoustics in general.

  10. Compressive sensing based spinning mode detections by in-duct microphone arrays

    NASA Astrophysics Data System (ADS)

    Yu, Wenjun; Huang, Xun

    2016-05-01

    This paper presents a compressive sensing based experimental method for detecting spinning modes of sound waves propagating inside a cylindrical duct system. This method requires fewer dynamic pressure sensors than the number required by the Shannon–Nyquist sampling theorem so long as the incident waves are sparse in spinning modes. In this work, the proposed new method is firstly validated by preparing some of the numerical simulations with representative set-ups. Then, a duct acoustic testing rig with a spinning mode synthesiser and an in-duct microphone array is built to experimentally demonstrate the new approach. Both the numerical simulations and the experiment results are satisfactory, even when the practical issue of the background noise pollution is taken into account. The approach is beneficial for sensory array tests of silent aeroengines in particular and some other engineering systems with duct acoustics in general.

  11. QM/MM MD simulations of La(III)-phosphopeptide complexes.

    PubMed

    Messner, Christoph B; Bonn, Günther K; Hofer, Thomas S

    2015-01-01

    Several bioanalytical enrichment techniques are based on the interactions of phosphopeptides with Ln(III) ions. In order to gain an improved understanding of these complexes and the respective ion-peptide interactions, hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations of La(III) coordinating to the phosphopeptide VPQLEIVPNSpAEER were conducted. Simulations of di- as well as monoanionic phosphate groups were carried out. The La(III) ion and its first hydration layer, including the sidechain of the phosphoserine residue were treated quantum mechanically at RI-MP2/triple zeta level, whereas the remaining part of the system was treated with classical potentials. The simulation of the dianionic phosphopeptide revealed a 9-fold coordinated La(III) ion, with the phosphopeptide binding bi- as well as monodentate. The mean residence times (τ) of the first shell water molecules were 82 ps and 37 ps for the bi- and monodentate complexes, respectively, which is much higher compared to free La(III) in aqueous solution (τ=17 ps). The simulation of the monoanionic La(III)-phosphopeptide complex revealed a bidentate coordination throughout the 80 ps sampling period. An intramolecular hydrogen bond between the hydrogen of the phosphate group and the backbone was observed and a τ value of 14 ps was obtained, which is much lower as for the dianionic complex.

  12. Simulation of Lamb wave propagation for the characterization of complex structures.

    PubMed

    Agostini, Valentina; Delsanto, Pier Paolo; Genesio, Ivan; Olivero, Dimitri

    2003-04-01

    Reliable numerical simulation techniques represent a very valuable tool for analysis. For this purpose we investigated the applicability of the local interaction simulation approach (LISA) to the study of the propagation of Lamb waves in complex structures. The LISA allows very fast and flexible simulations, especially in conjunction with parallel processing, and it is particularly useful for complex (heterogeneous, anisotropic, attenuative, and/or nonlinear) media. We present simulations performed on a glass fiber reinforced plate, initially undamaged and then with a hole passing through its thickness (passing-by hole). In order to give a validation of the method, the results are compared with experimental data. Then we analyze the interaction of Lamb waves with notches, delaminations, and complex structures. In the first case the discontinuity due to a notch generates mode conversion, which may be used to predict the defect shape and size. In the case of a single delamination, the most striking "signature" is a time-shift delay, which may be observed in the temporal evolution of the signal recorded by a receiver. We also present some results obtained on a geometrically complex structure. Due to the inherent discontinuities, a wealth of propagation mechanisms are observed, which can be exploited for the purpose of quantitative nondestructive evaluation (NDE).

  13. Appreciating the Complexity of Project Management Execution: Using Simulation in the Classroom

    ERIC Educational Resources Information Center

    Hartman, Nathan S.; Watts, Charles A.; Treleven, Mark D.

    2013-01-01

    As the popularity and importance of project management increase, so does the need for well-prepared project managers. This article discusses our experiences using a project management simulation in undergraduate and MBA classes to help students better grasp the complexity of project management. This approach gives students hands-on experience with…

  14. Toward a Common Structure in Demographic Educational Modeling and Simulation: A Complex Systems Approach

    ERIC Educational Resources Information Center

    Guevara, Porfirio

    2014-01-01

    This article identifies elements and connections that seem to be relevant to explain persistent aggregate behavioral patterns in educational systems when using complex dynamical systems modeling and simulation approaches. Several studies have shown what factors are at play in educational fields, but confusion still remains about the underlying…

  15. Solute transport with equilibrium aqueous complexation and either sorption or ion exchange: Simulation methodology and applications

    USGS Publications Warehouse

    Lewis, F.M.; Voss, C.I.; Rubin, J.

    1987-01-01

    Methodologies that account for specific types of chemical reactions in the simulation of solute transport can be developed so they are compatible with solution algorithms employed in existing transport codes. This enables the simulation of reactive transport in complex multidimensional flow regimes, and provides a means for existing codes to account for some of the fundamental chemical processes that occur among transported solutes. Two equilibrium-controlled reaction systems demonstrate a methodology for accommodating chemical interaction into models of solute transport. One system involves the sorption of a given chemical species, as well as two aqueous complexations in which the sorbing species is a participant. The other reaction set involves binary ion exchange coupled with aqueous complexation involving one of the exchanging species. The methodology accommodates these reaction systems through the addition of nonlinear terms to the transport equations for the sorbing species. Example simulation results show (1) the effect equilibrium chemical parameters have on the spatial distributions of concentration for complexing solutes; (2) that an interrelationship exists between mechanical dispersion and the various reaction processes; (3) that dispersive parameters of the porous media cannot be determined from reactive concentration distributions unless the reaction is accounted for or the influence of the reaction is negligible; (4) how the concentration of a chemical species may be significantly affected by its participation in an aqueous complex with a second species which also sorbs; and (5) that these coupled chemical processes influencing reactive transport can be demonstrated in two-dimensional flow regimes. ?? 1987.

  16. Managing complexity in simulations of land surface and near-surface processes

    DOE PAGES

    Coon, Ethan T.; Moulton, J. David; Painter, Scott L.

    2016-01-12

    Increasing computing power and the growing role of simulation in Earth systems science have led to an increase in the number and complexity of processes in modern simulators. We present a multiphysics framework that specifies interfaces for coupled processes and automates weak and strong coupling strategies to manage this complexity. Process management is enabled by viewing the system of equations as a tree, where individual equations are associated with leaf nodes and coupling strategies with internal nodes. A dynamically generated dependency graph connects a variable to its dependencies, streamlining and automating model evaluation, easing model development, and ensuring models aremore » modular and flexible. Additionally, the dependency graph is used to ensure that data requirements are consistent between all processes in a given simulation. Here we discuss the design and implementation of these concepts within the Arcos framework, and demonstrate their use for verification testing and hypothesis evaluation in numerical experiments.« less

  17. Simulation of complex glazing products; from optical data measurements to model based predictive controls

    SciTech Connect

    Kohler, Christian

    2012-08-01

    Complex glazing systems such as venetian blinds, fritted glass and woven shades require more detailed optical and thermal input data for their components than specular non light-redirecting glazing systems. Various methods for measuring these data sets are described in this paper. These data sets are used in multiple simulation tools to model the thermal and optical properties of complex glazing systems. The output from these tools can be used to generate simplified rating values or as an input to other simulation tools such as whole building annual energy programs, or lighting analysis tools. I also describe some of the challenges of creating a rating system for these products and which factors affect this rating. A potential future direction of simulation and building operations is model based predictive controls, where detailed computer models are run in real-time, receiving data for an actual building and providing control input to building elements such as shades.

  18. Ramjet bypass duct and preburner configuration

    NASA Technical Reports Server (NTRS)

    Orlando, Robert J. (Inventor)

    1994-01-01

    A combined turbofan and ramjet aircraft engine includes a forward bypass duct which allows the engine to operate more efficiently during the turbofan mode of operation. By mounting a ramjet preburner in the forward duct and isolating this duct from the turbofan bypass air, a transition from turbofan operation to ramjet operation can take place at lower flight Mach numbers without incurring pressure losses or blockage in the turbofan bypass air.

  19. 14 CFR 25.1103 - Induction system ducts and air duct systems.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... units must be fireproof within the auxiliary power unit fire zone. (c) Each duct connected to components... induction system duct must be fireproof for a sufficient distance upstream of the auxiliary power...

  20. 14 CFR 25.1103 - Induction system ducts and air duct systems.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... units must be fireproof within the auxiliary power unit fire zone. (c) Each duct connected to components... induction system duct must be fireproof for a sufficient distance upstream of the auxiliary power...

  1. 14 CFR 25.1103 - Induction system ducts and air duct systems.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... units must be fireproof within the auxiliary power unit fire zone. (c) Each duct connected to components... induction system duct must be fireproof for a sufficient distance upstream of the auxiliary power...

  2. 14 CFR 25.1103 - Induction system ducts and air duct systems.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... units must be fireproof within the auxiliary power unit fire zone. (c) Each duct connected to components... induction system duct must be fireproof for a sufficient distance upstream of the auxiliary power...

  3. 14 CFR 25.1103 - Induction system ducts and air duct systems.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... units must be fireproof within the auxiliary power unit fire zone. (c) Each duct connected to components... induction system duct must be fireproof for a sufficient distance upstream of the auxiliary power...

  4. Direct computer simulation of ferredoxin and FNR complex formation in solution

    NASA Astrophysics Data System (ADS)

    Kovalenko, I. B.; Diakonova, A. N.; Abaturova, A. M.; Riznichenko, G. Yu; Rubin, A. B.

    2010-06-01

    Ferredoxin reduced by Photosystem I in light serves as an electron donor for the reduction of NADP+ to NADPH, and this reaction is catalyzed by enzyme ferredoxin:NADP+-reductase (FNR). Kinetics and mechanisms of this reaction have been extensively studied experimentally by site-specific mutagenesis, laser flash photolysis and stopped-flow methods. We have applied a method of multiparticle computer simulation to study the effects of electrostatic interactions upon the reaction rate of Fd-FNR complex formation. Using the model we calculated rate constants of Fd-FNR complex formation for the wild-type proteins and some mutant forms of FNR at different values of ionic strength. Simulation revealed that electrostatic interactions play an important role in Fd-FNR complex formation and define its specificity.

  5. Circumportal pancreas with retroportal main pancreatic duct.

    PubMed

    Hashimoto, Yasushi; Ross, Andrew S; Traverso, L William

    2009-08-01

    There have been 6 cases of circumportal pancreas reported, and 2 of them had the main pancreatic duct in a retroportal dorsal portion. This extremely uncommon anomaly is asymptomatic and therefore incidentally discovered. For the surgeon, it is important to discover this during pancreatic resection so the pancreatic duct can be closed and fistula is avoided. We describe the third case where a circumportal pancreas had its main pancreatic duct passing under the portal vein. The duct was identified and ligated. A fistula did not occur.

  6. Generator stator core vent duct spacer posts

    DOEpatents

    Griffith, John Wesley; Tong, Wei

    2003-06-24

    Generator stator cores are constructed by stacking many layers of magnetic laminations. Ventilation ducts may be inserted between these layers by inserting spacers into the core stack. The ventilation ducts allow for the passage of cooling gas through the core during operation. The spacers or spacer posts are positioned between groups of the magnetic laminations to define the ventilation ducts. The spacer posts are secured with longitudinal axes thereof substantially parallel to the core axis. With this structure, core tightness can be assured while maximizing ventilation duct cross section for gas flow and minimizing magnetic loss in the spacers.

  7. Lightweight Forms for Epoxy/Aramid Ducts

    NASA Technical Reports Server (NTRS)

    Mix, E. W.; Anderson, A. N.; Bedford, Donald L., Sr.

    1986-01-01

    Aluminum mandrels easy to remove. Lightweight aluminum mandrel for shaping epoxy/aramid ducts simplifies and speeds production. In new process, glass-reinforced epoxy/aramid cloth wrapped on aluminum mandrel. Stainless-steel flanges and other hardware fitted on duct and held by simple tooling. Entire assembly placed in oven to cure epoxy. After curing, assembly placed in alkaline bath dissolves aluminum mandrel in about 4 hours. Epoxy/aramid shell ready for use as duct. Aluminum mandrel used to make ducts of various inside diameters up to 6 in. Standard aluminum forms used. Conventional tube-bending equipment produces requisite curves in mandrels.

  8. Unsteady flow simulations around complex geometries using stationary or rotating unstructured grids

    NASA Astrophysics Data System (ADS)

    Sezer-Uzol, Nilay

    In this research, the computational analysis of three-dimensional, unsteady, separated, vortical flows around complex geometries is studied by using stationary or moving unstructured grids. Two main engineering problems are investigated. The first problem is the unsteady simulation of a ship airwake, where helicopter operations become even more challenging, by using stationary unstructured grids. The second problem is the unsteady simulation of wind turbine rotor flow fields by using moving unstructured grids which are rotating with the whole three-dimensional rigid rotor geometry. The three dimensional, unsteady, parallel, unstructured, finite volume flow solver, PUMA2, is used for the computational fluid dynamics (CFD) simulations considered in this research. The code is modified to have a moving grid capability to perform three-dimensional, time-dependent rotor simulations. An instantaneous log-law wall model for Large Eddy Simulations is also implemented in PUMA2 to investigate the very large Reynolds number flow fields of rotating blades. To verify the code modifications, several sample test cases are also considered. In addition, interdisciplinary studies, which are aiming to provide new tools and insights to the aerospace and wind energy scientific communities, are done during this research by focusing on the coupling of ship airwake CFD simulations with the helicopter flight dynamics and control analysis, the coupling of wind turbine rotor CFD simulations with the aeroacoustic analysis, and the analysis of these time-dependent and large-scale CFD simulations with the help of a computational monitoring, steering and visualization tool, POSSE.

  9. Volterra representation enables modeling of complex synaptic nonlinear dynamics in large-scale simulations

    PubMed Central

    Hu, Eric Y.; Bouteiller, Jean-Marie C.; Song, Dong; Baudry, Michel; Berger, Theodore W.

    2015-01-01

    Chemical synapses are comprised of a wide collection of intricate signaling pathways involving complex dynamics. These mechanisms are often reduced to simple spikes or exponential representations in order to enable computer simulations at higher spatial levels of complexity. However, these representations cannot capture important nonlinear dynamics found in synaptic transmission. Here, we propose an input-output (IO) synapse model capable of generating complex nonlinear dynamics while maintaining low computational complexity. This IO synapse model is an extension of a detailed mechanistic glutamatergic synapse model capable of capturing the input-output relationships of the mechanistic model using the Volterra functional power series. We demonstrate that the IO synapse model is able to successfully track the nonlinear dynamics of the synapse up to the third order with high accuracy. We also evaluate the accuracy of the IO synapse model at different input frequencies and compared its performance with that of kinetic models in compartmental neuron models. Our results demonstrate that the IO synapse model is capable of efficiently replicating complex nonlinear dynamics that were represented in the original mechanistic model and provide a method to replicate complex and diverse synaptic transmission within neuron network simulations. PMID:26441622

  10. Flow through rotating rectangular ducts

    NASA Astrophysics Data System (ADS)

    Nandakumar, K.; Raszillier, H.; Durst, F.

    1991-05-01

    The bifurcation structure of two-dimensional, pressure-driven flows through a rectangular duct that is rotating about an axis perpendicular to its own is examined at a fixed Ekman number (Ek=ν/b2Ω) of 0.01. The solution structure for flow through a square duct (aspect ratio γ=1) is determined for Rossby numbers (Ro=U/bΩ) in the range of 0-5 using a computational scheme based on the arclength continuation method. The structure is much more complicated than reported earlier by Kheshgi and Scriven [Phys. Fluids 28, 2968 (1985)]. The primary branch with two limit points in Rossby number and a hysteresis behavior between the two- and four-cell flow structure that was computed by Kheshgi and Scriven is confirmed. An additional symmetric solution branch, which is disconnected from the primary branch (or rather connected via an asymmetric solution branch), is found. This has a two-cell flow structure at one end, a four-cell flow structure at the other and three limit points are located on the path. Two asymmetric solution branches emanating from symmetry breaking bifurcation points are also found for a square duct. Thus even within a Rossby number range of 0-5 a much richer solutions structure is found with up to five solutions at Ro=5. An eigenvalue calculation indicates that all two-dimensional solutions develop some form of unstable mode by the time Ro is increased to 5.0. In particular, the four-cell solution becomes unstable to asymmetric perturbations as found in a related problem of flow through a curved duct. The paths of the singular points are tracked with respect to variation in the aspect ratio using the fold following algorithm. A transcritical point is found at an aspect ratio of 0.815 and below which the four-cell solution is no longer on the primary branch. When the channel cross section is tilted even slightly (1°) with respect to the axis of rotation, the bifurcation points unfold and the two-cell solution evolves smoothly as Rossby number is

  11. Experimental verification of effect of horizontal inhomogeneity of evaporation duct on electromagnetic wave propagation

    NASA Astrophysics Data System (ADS)

    Shi, Yang; Kun-De, Yang; Yi-Xin, Yang; Yuan-Liang, Ma

    2015-04-01

    The evaporation duct which forms above the ocean surface has a significant influence on electromagnetic wave propagation above 2 GHz over the ocean. The effects of horizontal inhomogeneity of evaporation duct on electromagnetic wave propagation are investigated, both in numerical simulation and experimental observation methods, in this paper. Firstly, the features of the horizontal inhomogeneity of the evaporation duct are discussed. Then, two typical inhomogeneous cases are simulated and compared with the homogeneous case. The result shows that path loss is significantly higher than that in the homogeneous case when the evaporation duct height (EDH) at the receiver is lower than that at the transmitter. It is also concluded that the horizontal inhomogeneity of the evaporation duct has a significant influence when the EDH is low or when the electromagnetic wave frequency is lower than 13 GHz. Finally, experimental data collected on a 149-km long propagation path in the South China Sea in 2013 are used to verify the conclusion. The experimental results are consistent with the simulation results. The horizontal inhomogeneity of evaporation duct should be considered when modeling electromagnetic wave propagation over the ocean. Project supported by the National Natural Science Foundation of China (Grant No. 11174235) and the Fundamental Research Funds for the Central Universities (Grant No. 3102014JC02010301).

  12. 14 CFR 29.1103 - Induction systems ducts and air duct systems.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...-extinguishing system is required must be at least— (1) Fireproof, if it passes through any firewall; or (2) Fire resistant, for other ducts, except that ducts for auxiliary power units must be fireproof within the auxiliary power unit fire zone. (e) Each auxiliary power unit induction system duct must be fireproof for...

  13. 14 CFR 29.1103 - Induction systems ducts and air duct systems.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...-extinguishing system is required must be at least— (1) Fireproof, if it passes through any firewall; or (2) Fire resistant, for other ducts, except that ducts for auxiliary power units must be fireproof within the auxiliary power unit fire zone. (e) Each auxiliary power unit induction system duct must be fireproof for...

  14. 14 CFR 29.1103 - Induction systems ducts and air duct systems.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...-extinguishing system is required must be at least— (1) Fireproof, if it passes through any firewall; or (2) Fire resistant, for other ducts, except that ducts for auxiliary power units must be fireproof within the auxiliary power unit fire zone. (e) Each auxiliary power unit induction system duct must be fireproof for...

  15. 14 CFR 29.1103 - Induction systems ducts and air duct systems.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...-extinguishing system is required must be at least— (1) Fireproof, if it passes through any firewall; or (2) Fire resistant, for other ducts, except that ducts for auxiliary power units must be fireproof within the auxiliary power unit fire zone. (e) Each auxiliary power unit induction system duct must be fireproof for...

  16. 14 CFR 29.1103 - Induction systems ducts and air duct systems.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...-extinguishing system is required must be at least— (1) Fireproof, if it passes through any firewall; or (2) Fire resistant, for other ducts, except that ducts for auxiliary power units must be fireproof within the auxiliary power unit fire zone. (e) Each auxiliary power unit induction system duct must be fireproof for...

  17. Chapter 3: Atomistic Simulation of Lignocellulosic Biomass and Associated Cellulosomal Protein Complexes

    SciTech Connect

    Petridis, L.; Xu, J.; Crowley, M. F.; Smith, J. C.; Cheng, X.

    2010-01-01

    Computer simulations have been performed to obtain an atomic-level understanding of lignocellulose structure and the assembly of its associated cellulosomal protein complexes. First, a CHARMM molecular mechanics force field for lignin is derived and validated by performing a molecular dynamics simulation of a crystal of a lignin fragment molecule and comparing simulation-derived structural features with experimental results. Together with the existing force field for polysaccharides, this work provides the basis for full simulations of lignocellulose. Second, the underlying molecular mechanism governing the assembly of various cellulosomal modules is investigated by performing a novel free-energy calculation of the cohesin-dockerin dissociation. Our calculation indicates a free-energy barrier of {approx}17 kcal/mol and further reveals a stepwise dissociation pathway involving both the central {beta}-sheet interface and its adjacent solvent-exposed loop/turn regions clustered at both ends of the {beta}-barrel structure.

  18. Numerical simulation of swirling flow in complex hydroturbine draft tube using unsteady statistical turbulence models

    SciTech Connect

    Paik, Joongcheol; Sotiropoulos, Fotis; Sale, Michael J

    2005-06-01

    A numerical method is developed for carrying out unsteady Reynolds-averaged Navier-Stokes (URANS) simulations and detached-eddy simulations (DESs) in complex 3D geometries. The method is applied to simulate incompressible swirling flow in a typical hydroturbine draft tube, which consists of a strongly curved 90 degree elbow and two piers. The governing equations are solved with a second-order-accurate, finite-volume, dual-time-stepping artificial compressibility approach for a Reynolds number of 1.1 million on a mesh with 1.8 million nodes. The geometrical complexities of the draft tube are handled using domain decomposition with overset (chimera) grids. Numerical simulations show that unsteady statistical turbulence models can capture very complex 3D flow phenomena dominated by geometry-induced, large-scale instabilities and unsteady coherent structures such as the onset of vortex breakdown and the formation of the unsteady rope vortex downstream of the turbine runner. Both URANS and DES appear to yield the general shape and magnitude of mean velocity profiles in reasonable agreement with measurements. Significant discrepancies among the DES and URANS predictions of the turbulence statistics are also observed in the straight downstream diffuser.

  19. Monte Carlo simulations of flexible polyanions complexing with whey proteins at their isoelectric point

    NASA Astrophysics Data System (ADS)

    de Vries, R.

    2004-02-01

    Electrostatic complexation of flexible polyanions with the whey proteins α-lactalbumin and β-lactoglobulin is studied using Monte Carlo simulations. The proteins are considered at their respective isoelectric points. Discrete charges on the model polyelectrolytes and proteins interact through Debye-Hückel potentials. Protein excluded volume is taken into account through a coarse-grained model of the protein shape. Consistent with experimental results, it is found that α-lactalbumin complexes much more strongly than β-lactoglobulin. For α-lactalbumin, strong complexation is due to localized binding to a single large positive "charge patch," whereas for β-lactoglobulin, weak complexation is due to diffuse binding to multiple smaller charge patches.

  20. Radiated noise of ducted fans

    NASA Technical Reports Server (NTRS)

    Eversman, Walter

    1992-01-01

    The differences in the radiated acoustic fields of ducted and unducted propellers of the same thrust operating under similar conditions are investigated. An FEM model is created for the generation, propagation, and radiation of steady, rotor alone noise and exit guide vane interaction noise of a ducted fan. For a specified number of blades, angular mode harmonic, and rotor angular velocity, the acoustic field is described in a cylindrical coordinate system reduced to only the axial and radial directions. It is found that, contrary to the usual understanding of the Tyler and Sofrin (1962) result, supersonic tip speed rotor noise can be cut off if the tip Mach number is only slightly in excess of unity and if the number of blades is relatively small. If there are many blades, the fundamental angular mode number is large, and the Tyler and Sofrin result for thin annuli becomes more relevant. Shrouding of subsonic tip speed propellers is a very effective means of controlling rotor alone noise.

  1. Radiated noise of ducted fans

    NASA Astrophysics Data System (ADS)

    Eversman, Walter

    The differences in the radiated acoustic fields of ducted and unducted propellers of the same thrust operating under similar conditions are investigated. An FEM model is created for the generation, propagation, and radiation of steady, rotor alone noise and exit guide vane interaction noise of a ducted fan. For a specified number of blades, angular mode harmonic, and rotor angular velocity, the acoustic field is described in a cylindrical coordinate system reduced to only the axial and radial directions. It is found that, contrary to the usual understanding of the Tyler and Sofrin (1962) result, supersonic tip speed rotor noise can be cut off if the tip Mach number is only slightly in excess of unity and if the number of blades is relatively small. If there are many blades, the fundamental angular mode number is large, and the Tyler and Sofrin result for thin annuli becomes more relevant. Shrouding of subsonic tip speed propellers is a very effective means of controlling rotor alone noise.

  2. Pancreatographic investigation of pancreatic duct system and pancreaticobiliary malformation

    PubMed Central

    Kamisawa, Terumi; Okamoto, Atsutake

    2008-01-01

    To clarify the anatomy of the pancreatic duct system and to investigate its embryology, we reviewed 256 pancreatograms with normal pancreatic head, 81 with pancreas divisum and 74 with pancreaticobiliary maljunction. Accessory pancreatograms were divided into two patterns. The long-type accessory pancreatic duct forms a straight line and joins the main pancreatic duct at the neck portion of the pancreas. The short-type accessory pancreatic duct joins the main pancreatic duct near its first inferior branch. The short-type accessory pancreatic duct is less likely to have a long inferior branch arising from the accessory pancreatic duct. The length of the accessory pancreatic duct from the orifice to the first long inferior branch was similar in the short- and long-type accessory pancreatic ducts. The first long inferior branch from the long-type accessory pancreatic duct passes though the main pancreatic duct near the origin of the inferior branch from the main pancreatic duct. Immunohistochemically, in the short-type accessory pancreatic duct, the main pancreatic duct between the junction with the short-type accessory pancreatic duct and the neck portion was located in the ventral pancreas. The long-type accessory pancreatic duct represents a continuation of the main duct of the dorsal pancreatic bud. The short-type accessory pancreatic duct is probably formed by the proximal main duct of the dorsal pancreatic bud and its long inferior branch. PMID:18194203

  3. Flexible simulation framework to couple processes in complex 3D models for subsurface utilization assessment

    NASA Astrophysics Data System (ADS)

    Kempka, Thomas; Nakaten, Benjamin; De Lucia, Marco; Nakaten, Natalie; Otto, Christopher; Pohl, Maik; Tillner, Elena; Kühn, Michael

    2016-04-01

    Utilization of the geological subsurface for production and storage of hydrocarbons, chemical energy and heat as well as for waste disposal requires the quantification and mitigation of environmental impacts as well as the improvement of georesources utilization in terms of efficiency and sustainability. The development of tools for coupled process simulations is essential to tackle these challenges, since reliable assessments are only feasible by integrative numerical computations. Coupled processes at reservoir to regional scale determine the behaviour of reservoirs, faults and caprocks, generally demanding for complex 3D geological models to be considered besides available monitoring and experimenting data in coupled numerical simulations. We have been developing a flexible numerical simulation framework that provides efficient workflows for integrating the required data and software packages to carry out coupled process simulations considering, e.g., multiphase fluid flow, geomechanics, geochemistry and heat. Simulation results are stored in structured data formats to allow for an integrated 3D visualization and result interpretation as well as data archiving and its provision to collaborators. The main benefits in using the flexible simulation framework are the integration of data geological and grid data from any third party software package as well as data export to generic 3D visualization tools and archiving formats. The coupling of the required process simulators in time and space is feasible, while different spatial dimensions in the coupled simulations can be integrated, e.g., 0D batch with 3D dynamic simulations. User interaction is established via high-level programming languages, while computational efficiency is achieved by using low-level programming languages. We present three case studies on the assessment of geological subsurface utilization based on different process coupling approaches and numerical simulations.

  4. Complex System for Ground-Based and Accelerated Simulation of Six Extremal Space Factors (KIFK)

    NASA Astrophysics Data System (ADS)

    Abraimov, V. V.; Kolybaev, L. K.; Verkhovtseva, E. T.; Nekludov, I. M.; Rybalko, V. F.; Borts, B. V.

    This work was aimed at 1. Development and construction of a complex SF simulator for simultaneous and accelerated simulation of six SF (unparalleled in the GUS and ESA countries): artificial Sun radiation (200..2500 nm) + VUV radiation (5..200 nm) + proton (p+) and electron (e-) radiation (50..200 keV) + vacuum (10-6 Torr) + thermocycling (4.2..400 K). 2.Development of new physical techniques of accelerated laboratory simulation of the basic space factors adequate to natural factors influencing materials, components, units and scale models of spacecraft. In our opinion, this work solves a number of topical problems of ground-based simulation of space factors. 1.Simultaneous impact of six SF on spacecraft materials and models. 2.Simulation of the complete electromagnetic solar radiation (including VUV) spectrum in the wavelength range 5..2500 nm. 3.Accelerated simulation of the electron and proton flows of the Earth's radiation belts (the energy 50..200 keV, intensity 1012 particle/cm2s), i.e. with the acceleration coefficient 500..1000. 4.Accelerated simulation of the VUV component of the Sun's spectrum with the maximum intensity 3000 erg/cm2s) (i.e., the acceleration coefficient 300) 5.Simultaneous thermocycling of test objects in a wide range of temperatures 4.2..400 K in the vacuum of 10-6 Torr.

  5. Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II

    PubMed Central

    Mulholland, Sam; Turpin, Eleanor R.; Bonev, Boyan B.; Hirst, Jonathan D.

    2016-01-01

    Lanthionine antibiotics are an important class of naturally-occurring antimicrobial peptides. The best-known, nisin, is a commercial food preservative. However, structural and mechanistic details on nisin-lipid II membrane complexes are currently lacking. Recently, we have developed empirical force-field parameters to model lantibiotics. Docking and molecular dynamics (MD) simulations have been used to study the nisin2:lipid II complex in bacterial membranes, which has been put forward as the building block of nisin/lipid II binary membrane pores. An Ile1Trp mutation of the N-terminus of nisin has been modelled and docked onto lipid II models; the computed binding affinity increased compared to wild-type. Wild-type nisin was also docked onto three different lipid II structures and a stable 2:1 nisin:lipid II complex formed. This complex was inserted into a membrane. Six independent MD simulations revealed key interactions in the complex, specifically the N-terminal engagement of nisin with lipid II at the pyrophosphate and C-terminus of the pentapeptide chain. Nisin2 inserts into the membrane and we propose this as the first step in pore formation, mediated by the nisin N-terminus–lipid II pentapeptide hydrogen bond. The lipid II undecaprenyl chain adopted different conformations in the presence of nisin, which may also have implications for pore formation. PMID:26888784

  6. Lagrangian and arbitrary Lagrangian Eulerian simulations of complex roll-forming processes

    NASA Astrophysics Data System (ADS)

    Crutzen, Yanick; Boman, Romain; Papeleux, Luc; Ponthot, Jean-Philippe

    2016-04-01

    The Arbitrary Lagrangian Eulerian (ALE) formalism is a breakthrough technique in the numerical simulation of the continuous-type roll-forming process. In contrast to the classical Lagrangian approach, the ALE formalism can compute the hopefully stationary state for the entire mill length with definitely effortless set-up tasks thanks to a nearly-stationary mesh. In this paper, advantages of ALE and Lagrangian formalisms are extensively discussed for simulating such continuous-type processes. Through a highly complex industrial application, the ease of use of ALE modelling is illustrated with the in-house code METAFOR. ALE and Lagrangian results are in good agreement with each other.

  7. Solving complex maintenance planning optimization problems using stochastic simulation and multi-criteria fuzzy decision making

    NASA Astrophysics Data System (ADS)

    Tahvili, Sahar; Österberg, Jonas; Silvestrov, Sergei; Biteus, Jonas

    2014-12-01

    One of the most important factors in the operations of many cooperations today is to maximize profit and one important tool to that effect is the optimization of maintenance activities. Maintenance activities is at the largest level divided into two major areas, corrective maintenance (CM) and preventive maintenance (PM). When optimizing maintenance activities, by a maintenance plan or policy, we seek to find the best activities to perform at each point in time, be it PM or CM. We explore the use of stochastic simulation, genetic algorithms and other tools for solving complex maintenance planning optimization problems in terms of a suggested framework model based on discrete event simulation.

  8. A mathematical model for dynamic simulation of anaerobic digestion of complex substrates: Focusing on ammonia inhibition

    SciTech Connect

    Angelidaki, I.; Ellegaard, L.; Ahring, B.K. )

    1993-06-20

    A mathematical model for anaerobic degradation of complex organic material, such as manure, has been developed. The model includes an enzymatic hydrolytic step and four bacterial steps and involves 12 chemical compounds. The model focuses on ammonia inhibition and includes a detailed description of pH and temperature characteristics in order to accurately simulate free ammonia concentration. Free ammonia and acetate constitute the primary modulating factors in the model. The model has been applied for the simulation of digestion of cattle manure in continuously stirred tank reactors (CSTRs), and results compare favorably with experimental data.

  9. Solving complex maintenance planning optimization problems using stochastic simulation and multi-criteria fuzzy decision making

    SciTech Connect

    Tahvili, Sahar; Österberg, Jonas; Silvestrov, Sergei; Biteus, Jonas

    2014-12-10

    One of the most important factors in the operations of many cooperations today is to maximize profit and one important tool to that effect is the optimization of maintenance activities. Maintenance activities is at the largest level divided into two major areas, corrective maintenance (CM) and preventive maintenance (PM). When optimizing maintenance activities, by a maintenance plan or policy, we seek to find the best activities to perform at each point in time, be it PM or CM. We explore the use of stochastic simulation, genetic algorithms and other tools for solving complex maintenance planning optimization problems in terms of a suggested framework model based on discrete event simulation.

  10. A Project Management Approach to Using Simulation for Cost Estimation on Large, Complex Software Development Projects

    NASA Technical Reports Server (NTRS)

    Mizell, Carolyn; Malone, Linda

    2007-01-01

    It is very difficult for project managers to develop accurate cost and schedule estimates for large, complex software development projects. None of the approaches or tools available today can estimate the true cost of software with any high degree of accuracy early in a project. This paper provides an approach that utilizes a software development process simulation model that considers and conveys the level of uncertainty that exists when developing an initial estimate. A NASA project will be analyzed using simulation and data from the Software Engineering Laboratory to show the benefits of such an approach.

  11. What's New in Bile Duct Cancer Research and Treatment?

    MedlinePlus

    ... Topic Additional resources for bile duct cancer What’s new in bile duct cancer research and treatment? Bile ... is tumor blood vessels. Bile duct tumors need new blood vessels to grow beyond a certain size. ...

  12. Measure Guideline: Sealing and Insulating of Ducts in Existing Homes

    SciTech Connect

    Aldrich, R.; Puttagunta, S.

    2011-12-01

    This document begins with a discussion on potential cost and performance benefits of duct sealing and insulating. It continues with a review of typical duct materials and components and the overall procedures for assessing and improving the duct system.

  13. Measure Guideline. Sealing and Insulating Ducts in Existing Homes

    SciTech Connect

    Aldrich, R.; Puttagunta, S.

    2011-12-01

    This document begins with a discussion on potential cost and performance benefits of duct sealing and insulating. It continues with a review of typical duct materials and components and the overall procedures for assessing and improving the duct system.

  14. Do We Know What Causes Bile Duct Cancer?

    MedlinePlus

    ... duct cancer be prevented? Do we know what causes bile duct cancer? We don’t know the exact cause of ... to top » Guide Topics What Is Bile Duct Cancer? Causes, Risk Factors, and Prevention Early Detection, Diagnosis, and ...

  15. Hydrogen storage in C3Ti complex using quantum chemical methods and molecular dynamics simulations.

    PubMed

    Kalamse, Vijayanand; Wadnerkar, Nitin; Chaudhari, Ajay

    2012-06-01

    The hydrogen storage capacity of C(3)Ti and C(3)Ti(+) complex was studied using second order Møller-Plesset (MP2) and density functional theory (DFT) methods with different exchange and correlation functionals. Four and five H(2) molecules can be adsorbed on C(3)Ti and C(3)Ti(+) complex respectively at all the levels of theory used. This corresponds to the gravimetric H(2) uptake capacity of 8.77 and 10.73 wt % for the former and the latter respectively. The nature of interactions between different molecules in H(2) adsorbed complexes is also studied using many-body analysis approach. In the case of C(3)Ti(4H(2)) complex, total five-body interactions is negligible whereas for C(3)Ti(+)(5H(2)) relaxation energy is negligible. All the many-body energies have significant contribution to the binding energy of a respective complex. Atom-centered density matrix propagation molecular dynamics simulations were carried out using different methods to confirm whether H(2) molecules remain adsorbed on C(3)Ti and C(3)Ti(+) complex at room temperature. Adsorption Gibbs free energies show that four and five H(2) molecule adsorption on C(3)Ti and C(3)Ti(+) at room temperature is energetically favorable and unfavorable respectively using MP2 as well as DFT methods used here. H(2) adsorption is thermodynamically favorable over a wide range of temperature on the C(3)Ti than C(3)Ti(+)complex.

  16. Extracorporeal shockwave lithotripsy of pancreatic duct stones.

    PubMed

    Rawat, B; Fache, J S; Burhenne, H J

    1992-01-01

    Encouraging results with extracorporeal shockwave lithotripsy (ESWL) for pancreatic duct stones have been reported from Europe. We present our experience with the first two North American patients, treated with excellent results in one and limited clinical improvement in the other patient at 1 year follow-up. Targeting of pancreatic duct stones was achieved with either fluoroscopy or ultrasound.

  17. Future Treatment of Common Bile Duct Stones.

    PubMed

    Johnson; Hunter

    1997-03-01

    Management options for patients found to have common bile duct stones have expanded as a function of improved instrumentation and radiographic support. Technological advances initially lead to increased costs but eventually result in improved quality for patients. Controversy exists for patients with either soft clinical findings or stones found at the time of laparoscopic cholecystectomy. As laparoscopic common duct exploration becomes more widespread the need for perioperative ERCP will likely decrease; however, this will depend on the experience of the surgeons at a given institution. Common bile duct stones found at the time of laparoscopic cholecystectomy can be approached in a variety of different ways. The most commonly used methods are laparoscopic transcystic common bile duct exploration, laparoscopic choledochotomy with common bile duct exploration, open common bile duct exploration, laparoscopic antegrade sphincterotomy, and postoperative ERCP. In the future, the treatment goal of biliary lithiasis will be to accomplish cholecystectomy and removal of bile duct stones in a single stage. Advances in fiberoptic technology will make transcystic duct exploration more effective, but it is likely that sphincterotomy (antegrade or retrograde) will be used preferentially for the distally impacted stone.

  18. Double-duct liquid metal magnetohydrodynamic engine

    DOEpatents

    Haaland, Carsten M.

    1995-01-01

    An internal combustion, liquid metal (LM) magnetohydrodynamic (MHD) engine and an alternating current (AC) magnetohydrodynamic generator, are used in combination to provide useful AC electric energy output. The engine design has-four pistons and a double duct configuration, with each duct containing sodium potassium liquid metal confined between free pistons located at either end of the duct. The liquid metal is forced to flow back and forth in the duct by the movement of the pistons, which are alternatively driven by an internal combustion process. In the MHD generator, the two LM-MHD ducts pass in close proximity through a Hartmann duct with output transformer. AC power is produced by operating the engine with the liquid metal in the two generator ducts always flowing in counter directions. The amount of liquid metal maintained in the ducts may be varied. This provides a variable stroke length for the pistons. The engine/generator provides variable AC power at variable frequencies that correspond to the power demands of the vehicular propulsion. Also the engine should maintain nearly constant efficiency throughout the range of power usage. Automobiles and trucks could be powered by the invention, with no transmission or power converter devices being required.

  19. Double-duct liquid metal magnetohydrodynamic engine

    DOEpatents

    Haaland, Carsten M.

    1997-01-01

    An internal combustion, liquid metal (LM) magnetohydrodynamic (MHD) engine and an alternating current (AC) magnetohydrodynamic generator, are used in combination to provide useful AC electric energy output. The engine design has four pistons and a double duct configuration, with each duct containing sodium potassium liquid metal confined between free pistons located at either end of the duct. The liquid metal is forced to flow back and forth in the duct by the movement of the pistons, which are alternatively driven by an internal combustion process. In the MHD generator, the two LM-MHD ducts pass in close proximity through a Hartmann duct with output transformer. AC power is produced by operating the engine with the liquid metal in the two generator ducts always flowing in counter directions. The amount of liquid metal maintained in the ducts may be varied. This provides a variable stroke length for the pistons. The engine/generator provides variable AC power at variable frequencies that correspond to the power demands of the vehicular propulsion. Also the engine should maintain nearly constant efficiency throughout the range of power usage. Automobiles and trucks could be powered by the invention, with no transmission or power converter devices being required.

  20. 46 CFR 116.610 - Ventilation ducts.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... materials are not allowed within ventilation ducts. However, metal piping and electrical wiring installed in a metal protective enclosure may be installed within ventilation ducts, provided that the piping or... prevent corrosion; (4) Fire dampers must be capable of manual operation from outside the space served,...

  1. Borescope Device Takes Impressions In Ducts

    NASA Technical Reports Server (NTRS)

    Walter, Richard F.; Turner, Laura J.

    1990-01-01

    Maneuverable device built around borescope equipped to make impression molds of welded joints in interior surfaces of ducts. Molds then examined to determine degress of mismatch in welds. Inserted in duct, and color-coded handles on ends of cables used to articulate head to maneuver around corners. Use of device fairly easy and requires little training.

  2. Deposition Velocities of Non-Newtonian Slurries in Pipelines: Complex Simulant Testing

    SciTech Connect

    Poloski, Adam P.; Bonebrake, Michael L.; Casella, Andrew M.; Johnson, Michael D.; Toth, James J.; Adkins, Harold E.; Chun, Jaehun; Denslow, Kayte M.; Luna, Maria; Tingey, Joel M.

    2009-07-01

    ) was performed at each yield stress condition. Unlike the previous simulant, the sizes and densities of the particles that can deposit in the piping are a result of the simulant precipitation process; there is expected to be a complex mixture of particles of various sizes and densities that make it difficult to predict a stability map. The objective of the testing is to observe whether behavior consistent with the stability-map concept occurs in complex simulants with mixtures of different sizes and densities.

  3. Simulations reveal that the HIV-1 gp120-CD4 complex dissociates via complex pathways and is a potential target of the polyamidoamine (PAMAM) dendrimer

    NASA Astrophysics Data System (ADS)

    Nandy, Bidisha; Bindu, D. Hima; Dixit, Narendra M.; Maiti, Prabal K.

    2013-07-01

    The polyamidoamine (PAMAM) dendrimer prevents HIV-1 entry into target cells in vitro. Its mechanism of action, however, remains unclear and precludes the design of potent dendrimers targeting HIV-1 entry. We employed steered molecular dynamics simulations to examine whether the HIV-1 gp120-CD4 complex is a target of PAMAM. Our simulations mimicked single molecule force spectroscopy studies of the unbinding of the gp120-CD4 complex under the influence of a controlled external force. We found that the complex dissociates via complex pathways and defies the standard classification of adhesion molecules as catch and slip bonds. When the force loading rate was large, the complex behaved as a slip bond, weakening gradually. When the loading rate was small, the complex initially strengthened, akin to a catch bond, but eventually dissociated over shorter separations than with large loading rates. PAMAM docked to gp120 and destabilized the gp120-CD4 complex. The rupture force of the complex was lowered by PAMAM. PAMAM disrupted salt bridges and hydrogen bonds across the gp120-CD4 interface and altered the hydration pattern of the hydrophobic cavity in the interface. In addition, intriguingly, PAMAM suppressed the distinction in the dissociation pathways of the complex between the small and large loading rate regimes. Taken together, our simulations reveal that PAMAM targets the gp120-CD4 complex at two levels: it weakens the complex and also alters its dissociation pathway, potentially inhibiting HIV-1 entry.

  4. Fabrication process of a high temperature polymer matrix engine duct

    NASA Technical Reports Server (NTRS)

    Pratt, R. D.; Wilson, A. J.

    1985-01-01

    The process that was used in the molding of an advanced composite outer by-pass duct planned for the F404 engine is discussed. This duct was developed as a potential replacement for the existing titanium duct in order to reduce both the weight and cost of the duct. The composite duct is now going into the manufacturing technology portion of the program. The duct is fabricated using graphite cloth impregnated with the PMR-15 matrix system.

  5. Multi-cavity complex controller with vector simulator for TESLA technology linear accelerator

    NASA Astrophysics Data System (ADS)

    Czarski, Tomasz; Pozniak, Krzysztof T.; Romaniuk, Ryszard S.; Szewinski, Jaroslaw

    2008-01-01

    A digital control, as the main part of the Low Level RF system, for superconducting cavities of a linear accelerator is presented. The FPGA based controller, supported by MATLAB system, was developed to investigate a novel firmware implementation. The complex control algorithm based on the non-linear system identification is the proposal verified by the preliminary experimental results. The general idea is implemented as the Multi-Cavity Complex Controller (MCC) and is still under development. The FPGA based controller executes procedure according to the prearranged control tables: Feed-Forward, Set-Point and Corrector unit, to fulfill the required cavity performance: driving in the resonance during filling and field stabilization for the flattop range. Adaptive control algorithm is applied for the feed-forward and feedback modes. The vector Simulator table has been introduced for an efficient verification of the FPGA controller structure. Experimental results of the internal simulation, are presented for a cavity representative condition.

  6. Three-body interactions in complex fluids: Virial coefficients from simulation finite-size effects

    SciTech Connect

    Ashton, Douglas J.; Wilding, Nigel B.

    2014-06-28

    A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on a new approach for determining virial coefficients from the measured volume-dependent asymptote of a certain structural function. By comparing the third virial coefficient B{sub 3} for a complex fluid with that of an approximate coarse-grained model described by a pair potential, three body effects can be quantified. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymers and in highly size-asymmetrical colloid-polymer mixtures.

  7. AN AGENT-BASED SIMULATION STUDY OF A COMPLEX ADAPTIVE COLLABORATION NETWORK

    SciTech Connect

    Ozmen, Ozgur; Smith, Jeffrey; Yilmaz, Levent

    2013-01-01

    One of the most significant problems in organizational scholarship is to discern how social collectives govern, organize, and coordinate the actions of individuals to achieve collective outcomes. The collectives are usually interpreted as complex adaptive systems (CAS). The understanding of CAS is more likely to arise with the help of computer-based simulations. In this tutorial, using agent-based modeling approach, a complex adaptive social communication network model is introduced. The objective is to present the underlying dynamics of the system in a form of computer simulation that enables analyzing the impacts of various mechanisms on network topologies and emergent behaviors. The ultimate goal is to further our understanding of the dynamics in the system and facilitate developing informed policies for decision-makers.

  8. Multi-Agent-Based Simulation of a Complex Ecosystem of Mental Health Care.

    PubMed

    Kalton, Alan; Falconer, Erin; Docherty, John; Alevras, Dimitris; Brann, David; Johnson, Kyle

    2016-02-01

    This paper discusses the creation of an Agent-Based Simulation that modeled the introduction of care coordination capabilities into a complex system of care for patients with Serious and Persistent Mental Illness. The model describes the engagement between patients and the medical, social and criminal justice services they interact with in a complex ecosystem of care. We outline the challenges involved in developing the model, including process mapping and the collection and synthesis of data to support parametric estimates, and describe the controls built into the model to support analysis of potential changes to the system. We also describe the approach taken to calibrate the model to an observable level of system performance. Preliminary results from application of the simulation are provided to demonstrate how it can provide insights into potential improvements deriving from introduction of care coordination technology. PMID:26590977

  9. Efficient simulation of blood flow past complex endovascular devices using an adaptive embedding technique.

    PubMed

    Cebral, Juan R; Löhner, Rainald

    2005-04-01

    The simulation of blood flow past endovascular devices such as coils and stents is a challenging problem due to the complex geometry of the devices. Traditional unstructured grid computational fluid dynamics relies on the generation of finite element grids that conform to the boundary of the computational domain. However, the generation of such grids for patient-specific modeling of cerebral aneurysm treatment with coils or stents is extremely difficult and time consuming. This paper describes the application of an adaptive grid embedding technique previously developed for complex fluid structure interaction problems to the simulation of endovascular devices. A hybrid approach is used: the vessel walls are treated with body conforming grids and the endovascular devices with an adaptive mesh embedding technique. This methodology fits naturally in the framework of image-based computational fluid dynamics and opens the door for exploration of different therapeutic options and personalization of endovascular procedures. PMID:15822805

  10. Multi-Agent-Based Simulation of a Complex Ecosystem of Mental Health Care.

    PubMed

    Kalton, Alan; Falconer, Erin; Docherty, John; Alevras, Dimitris; Brann, David; Johnson, Kyle

    2016-02-01

    This paper discusses the creation of an Agent-Based Simulation that modeled the introduction of care coordination capabilities into a complex system of care for patients with Serious and Persistent Mental Illness. The model describes the engagement between patients and the medical, social and criminal justice services they interact with in a complex ecosystem of care. We outline the challenges involved in developing the model, including process mapping and the collection and synthesis of data to support parametric estimates, and describe the controls built into the model to support analysis of potential changes to the system. We also describe the approach taken to calibrate the model to an observable level of system performance. Preliminary results from application of the simulation are provided to demonstrate how it can provide insights into potential improvements deriving from introduction of care coordination technology.

  11. 3-D FDTD simulation of shear waves for evaluation of complex modulus imaging.

    PubMed

    Orescanin, Marko; Wang, Yue; Insana, Michael

    2011-02-01

    The Navier equation describing shear wave propagation in 3-D viscoelastic media is solved numerically with a finite differences time domain (FDTD) method. Solutions are formed in terms of transverse scatterer velocity waves and then verified via comparison to measured wave fields in heterogeneous hydrogel phantoms. The numerical algorithm is used as a tool to study the effects on complex shear modulus estimation from wave propagation in heterogeneous viscoelastic media. We used an algebraic Helmholtz inversion (AHI) technique to solve for the complex shear modulus from simulated and experimental velocity data acquired in 2-D and 3-D. Although 3-D velocity estimates are required in general, there are object geometries for which 2-D inversions provide accurate estimations of the material properties. Through simulations and experiments, we explored artifacts generated in elastic and dynamic-viscous shear modulus images related to the shear wavelength and average viscosity.

  12. Average-Case Complexity Versus Approximate Simulation of Commuting Quantum Computations

    NASA Astrophysics Data System (ADS)

    Bremner, Michael J.; Montanaro, Ashley; Shepherd, Dan J.

    2016-08-01

    We use the class of commuting quantum computations known as IQP (instantaneous quantum polynomial time) to strengthen the conjecture that quantum computers are hard to simulate classically. We show that, if either of two plausible average-case hardness conjectures holds, then IQP computations are hard to simulate classically up to constant additive error. One conjecture relates to the hardness of estimating the complex-temperature partition function for random instances of the Ising model; the other concerns approximating the number of zeroes of random low-degree polynomials. We observe that both conjectures can be shown to be valid in the setting of worst-case complexity. We arrive at these conjectures by deriving spin-based generalizations of the boson sampling problem that avoid the so-called permanent anticoncentration conjecture.

  13. Exploding solutions of the complex two-dimensional Burgers equations: Computer simulations

    NASA Astrophysics Data System (ADS)

    Boldrighini, C.; Frigio, S.; Maponi, P.

    2012-08-01

    We study by computer simulations the complex solutions of the two-dimensional Burgers equations in the whole plane in absence of external forces. For such model the existence of singularities, corresponding to a divergence of the total energy at a finite time, is proved by Li and Sinai ["Singularities of complex-valued solutions of the two-dimensional Burgers system," J. Math. Phys. 51, 015205 (2010)], 10.1063/1.3276099 for a large class of initial data. The simulations show that the blow-up takes place in a very short time, of the order of 10-5 time units. Moreover near the blow-up time the support of the solution in Fourier space moves out to infinity along a straight line. In x-space the solutions are concentrated in a finite region, with large space derivatives, as one would expect for physical phenomena such as tornadoes.

  14. Average-Case Complexity Versus Approximate Simulation of Commuting Quantum Computations.

    PubMed

    Bremner, Michael J; Montanaro, Ashley; Shepherd, Dan J

    2016-08-19

    We use the class of commuting quantum computations known as IQP (instantaneous quantum polynomial time) to strengthen the conjecture that quantum computers are hard to simulate classically. We show that, if either of two plausible average-case hardness conjectures holds, then IQP computations are hard to simulate classically up to constant additive error. One conjecture relates to the hardness of estimating the complex-temperature partition function for random instances of the Ising model; the other concerns approximating the number of zeroes of random low-degree polynomials. We observe that both conjectures can be shown to be valid in the setting of worst-case complexity. We arrive at these conjectures by deriving spin-based generalizations of the boson sampling problem that avoid the so-called permanent anticoncentration conjecture. PMID:27588839

  15. Cholangiographic evaluation of bile duct carcinoma

    SciTech Connect

    Nichols, D.A.; MacCarty, R.L.; Gaffey, T.A.

    1983-12-01

    Cholangiograms and clinical histories of 82 patients with biopsy-proved bile duct carcinoma were reviewed. The carcinomas were classified according to morphologic findings and clinical outcome. Ulcerative colitis and antecedent inflammatory disease of the biliary tree, particularly primary sclerosing cholangitis, seem to predispose to the development of bile duct carcinoma. Focal stenotic lesions were the most common morphologic type (62/82). Polypoid carcinomas and diffuse sclerosing carcinomas were less common and of about equal frequency. Prognosis was best for patients with polypoid carcinomas and worst for those with diffuse sclerosing carcinomas. In 69 cases (84%), the tumors involved the intrahepatic or proximal extrahepatic ducts, makin curative resection difficult or impossible. Patients with carcinomas limited to the more distal extrahepatic bile ducts had a longer average survival and a higher probability of surgical cure. Proper management of patients with bile duct carcinoma requires a complete and accurate cholangiographic evaluation of the morphology, location, and extent of the disease.

  16. Surgical management of Stenson’s duct injury by using double J stent urethral catheter

    PubMed Central

    Aloosi, Suha N.; Khoshnaw, Najmaddin; Ali, Shakhawan M.; Muhammad, Belal A.

    2015-01-01

    Background Parotid duct or gland injury can be caused by assault with a knife, bottle, electrical-saw, road traffic accident, or rarely gunshot and fractures of the facial skeleton. The injury can be in the form of laceration, ductal exposure, total cutting, or crushing of the duct. These conditions are difficult to diagnose because of complex anatomy and variable forms of the injury. A successful management of parotid duct injuries depends on early diagnosis and appropriate intervention; improper surgery may lead to complications such as sialocele or salivary fistula Case report A 27-years-old man was presented to the maxillofacial unit, complaining of bleeding over the right side of his face after accidental exposure to a chain-saw three hours before admission. On examination, a 6 cm deep lacerated wound was found over the right buccal area, suspecting facial nerve-buccal branch and parotid duct injury. Under general anesthesia the parotid duct injury diagnosed, microsurgical anastomosis of the cut-ends of the parotid duct performed using the double J catheter. Sutures and JJ stent removed seven and twenty postoperative days respectively. After a proper supportive treatment a complete healing of the duct was obtained with normal amount of saliva. Conclusions Herein, we described an easy yet efficient technique in management of parotid duct injury using a JJ stent which is often used for urethra. We think that use of JJ stent is a valuable technique to be used in the diagnosis and surgical repair of the parotid duct during traumatic facial and/or parotid injuries. PMID:26555062

  17. A novel multiblock immersed boundary method for large eddy simulation of complex arterial hemodynamics

    PubMed Central

    Shetty, Dinesh A.; Frankel, Steven H.

    2013-01-01

    Computational fluid dynamics (CFD) simulations are becoming a reliable tool to understand hemodynamics, disease progression in pathological blood vessels and to predict medical device performance. Immersed boundary method (IBM) emerged as an attractive methodology because of its ability to efficiently handle complex moving and rotating geometries on structured grids. However, its application to study blood flow in complex, branching, patient-specific anatomies is scarce. This is because of the dominance of grid nodes in the exterior of the fluid domain over the useful grid nodes in the interior, rendering an inevitable memory and computational overhead. In order to alleviate this problem, we propose a novel multiblock based IBM that preserves the simplicity and effectiveness of the IBM on structured Cartesian meshes and enables handling of complex, anatomical geometries at a reduced memory overhead by minimizing the grid nodes in the exterior of the fluid domain. As pathological and medical device hemodynamics often involve complex, unsteady transitional or turbulent flow fields, a scale resolving turbulence model such as large eddy simulation (LES) is used in the present work. The proposed solver (here after referred as WenoHemo), is developed by enhancing an existing in-house high order incompressible flow solver that was previously validated for its numerics and several LES models by Shetty et al. [Journal of Computational Physics 2010; 229 (23), 8802-8822]. In the present work, WenoHemo is systematically validated for additional numerics introduced, such as IBM and the multiblock approach, by simulating laminar flow over a sphere and laminar flow over a backward facing step respectively. Then, we validate the entire solver methodology by simulating laminar and transitional flow in abdominal aortic aneurysm (AAA). Finally, we perform blood flow simulations in the challenging clinically relevant thoracic aortic aneurysm (TAA), to gain insights into the type of

  18. Marginal turbulent magnetohydrodynamic flow in a square duct

    NASA Astrophysics Data System (ADS)

    Shatrov, Victor; Gerbeth, Gunter

    2010-08-01

    Direct numerical simulations using a high-order finite-difference method were performed of the turbulent flow in a straight square duct in a transverse magnetic field. Without magnetic field the turbulence can be maintained for values of the bulk Reynolds number above approximately Re=1077 [M. Uhlmann et al., "Marginally turbulent flow in a square duct," J. Fluid Mech. 588, 153 (2007)]. In the magnetohydrodynamic case this minimal value of the bulk Reynolds number increases with the Hartmann number. The flow is laminar at Re=3000 when the Hartmann number is larger than Ha=12.5 and the flow is turbulent for Ha≦12.0. The secondary mean flow structure at Re=3000 consists of eight vortices located mainly at the Hartmann walls.

  19. Coordinated control for regulation/protection mode-switching of ducted rockets

    NASA Astrophysics Data System (ADS)

    Qi, Yiwen; Bao, Wen; Zhao, Jun; Chang, Juntao

    2014-05-01

    This study is concerned with the coordinated control problem for regulation/protection mode-switching of a ducted rocket, in order to obtain the maximum system performance while ensuring safety. The proposed strategy has an inner/outer loop control structure which decomposes the contradiction between performance and safety into two modes of regulation and protection. Specifically, first, the mathematical model including the actuator (gas regulating system) and the plant (ducted rocket engine) is introduced. Second, taking the inlet buzz for instance, the ducted rocket coordinated control problem for thrust regulation and inlet buzz limit protection is formulated and discussed. Third, to solve the problem, based on the main inner loop, a limit protection controller (outer loop) design method is developed utilizing a linear quadratic optimal control technique, and a coordinated control logic is then presented. At last, the whole coordinated control strategy is applied to the ducted rocket control model, and simulation results demonstrate its effectiveness.

  20. DRIHM Portal - A Scientific Gateway for Complex Hydro-Meteorological Simulations

    NASA Astrophysics Data System (ADS)

    Danovaro, Emanuele; Clematis, Andrea; D'Agostino, Daniele; Galizia, Antonella; Quarati, Alfonso; Schiffers, Michael; Straube, Christian; gentschen Felde, Nils; Delogu, Fabio; Fiori, Elisabetta

    2014-05-01

    Hydro-meteorological simulations rely on complex, computationally intensive, simulation models. The accuracy of the simulation is strongly dependent on an extensive set of configuration parameters. Moreover, a full simulation (from rainfall to impact on urban areas) requires the execution of several models organized trough a workflow. This can lead to compatibility issues among different models. DRIHM Portal is the scientific gateway developed by DRIHM project. It is able to support HM researcher in the design on new experiment. It expose a simple, web-based, UI that let the user to compose the desired workflow, then the user is driven trough parameter selection and job execution. The portal takes care of generating all the configuration files and handles the execution of simulation steps on a heterogeneous computing infrastructure composed by PRACE and EGI resources and on dedicated clusters. A large effort in model standardization give the possibility to easily swap among analogous model within a workflow, and evaluate the benefit of different models or configuration parameters, thus speeding-up the HM research. The portal is further evolving with a new set of user-driven requests: in-place analysis of simulation results and ability to share experiment with the HMR community as well as with citizen scientists.

  1. Simulation and fitting of complex reaction network TPR: The key is the objective function

    NASA Astrophysics Data System (ADS)

    Savara, Aditya

    2016-11-01

    A method has been developed for finding improved fits during simulation and fitting of data from complex reaction network temperature programmed reactions (CRN-TPR). It was found that simulation and fitting of CRN-TPR presents additional challenges relative to simulation and fitting of simpler TPR systems. The method used here can enable checking the plausibility of proposed chemical mechanisms and kinetic models. The most important finding was that when choosing an objective function, use of an objective function that is based on integrated production provides more utility in finding improved fits when compared to an objective function based on the rate of production. The response surface produced by using the integrated production is monotonic, suppresses effects from experimental noise, requires fewer points to capture the response behavior, and can be simulated numerically with smaller errors. For CRN-TPR, there is increased importance (relative to simple reaction network TPR) in resolving of peaks prior to fitting, as well as from weighting of experimental data points. Using an implicit ordinary differential equation solver was found to be inadequate for simulating CRN-TPR. The method employed here was capable of attaining improved fits in simulation and fitting of CRN-TPR when starting with a postulated mechanism and physically realistic initial guesses for the kinetic parameters.

  2. Simulation and fitting of complex reaction network TPR: The key is the objective function

    DOE PAGES

    Savara, Aditya Ashi

    2016-07-07

    In this research, a method has been developed for finding improved fits during simulation and fitting of data from complex reaction network temperature programmed reactions (CRN-TPR). It was found that simulation and fitting of CRN-TPR presents additional challenges relative to simulation and fitting of simpler TPR systems. The method used here can enable checking the plausibility of proposed chemical mechanisms and kinetic models. The most important finding was that when choosing an objective function, use of an objective function that is based on integrated production provides more utility in finding improved fits when compared to an objective function based onmore » the rate of production. The response surface produced by using the integrated production is monotonic, suppresses effects from experimental noise, requires fewer points to capture the response behavior, and can be simulated numerically with smaller errors. For CRN-TPR, there is increased importance (relative to simple reaction network TPR) in resolving of peaks prior to fitting, as well as from weighting of experimental data points. Using an implicit ordinary differential equation solver was found to be inadequate for simulating CRN-TPR. Lastly, the method employed here was capable of attaining improved fits in simulation and fitting of CRN-TPR when starting with a postulated mechanism and physically realistic initial guesses for the kinetic parameters.« less

  3. Population genetic simulations of complex phenotypes with implications for rare variant association tests

    PubMed Central

    Uricchio, Lawrence H.; Torres, Raul; Witte, John S.; Hernandez, Ryan D.

    2014-01-01

    Demographic events and natural selection alter patterns of genetic variation within populations, and may play a substantial role in shaping the genetic architecture of complex phenotypes and disease. However, the joint impact of these basic evolutionary forces is often ignored in the assessment of statistical tests of association. Here, we provide a simulation-based framework for generating DNA sequences that incorporates selection and demography with flexible models for simulating phenotypic variation (sfs_coder). This tool also allows the user to perform locus-specific simulations by automatically querying annotated genomic functional elements and genetic maps. We demonstrate the effects of evolutionary forces on patterns of genetic variation by simulating recently inferred models of human selection and demography. We use these simulations to show that the demographic model and locus-specific features, such as the proportion of sites under selection, may have practical implications for estimating the statistical power of sequencing-based rare variant association tests. In particular, for some phenotype models, there may be higher power to detect rare variant associations in African populations compared to non-Africans, but power is considerably reduced in regions of the genome with rampant negative selection. Furthermore, we show that existing methods for simulating large samples based on resampling from a small set of observed haplotypes fail to recapitulate the distribution of rare variants in the presence of rapid population growth (as has been observed in several human populations). PMID:25417809

  4. Dissociation of a Dynamic Protein Complex Studied by All-Atom Molecular Simulations.

    PubMed

    Zhang, Liqun; Borthakur, Susmita; Buck, Matthias

    2016-02-23

    The process of protein complex dissociation remains to be understood at the atomic level of detail. Computers now allow microsecond timescale molecular-dynamics simulations, which make the visualization of such processes possible. Here, we investigated the dissociation process of the EphA2-SHIP2 SAM-SAM domain heterodimer complex using unrestrained all-atom molecular-dynamics simulations. Previous studies on this system have shown that alternate configurations are sampled, that their interconversion can be fast, and that the complex is dynamic by nature. Starting from different NMR-derived structures, mutants were designed to stabilize a subset of configurations by swapping ion pairs across the protein-protein interface. We focused on two mutants, K956D/D1235K and R957D/D1223R, with attenuated binding affinity compared with the wild-type proteins. In contrast to calculations on the wild-type complexes, the majority of simulations of these mutants showed protein dissociation within 2.4 μs. During the separation process, we observed domain rotation and pivoting as well as a translation and simultaneous rolling, typically to alternate and weaker binding interfaces. Several unsuccessful recapturing attempts occurred once the domains were moderately separated. An analysis of protein solvation suggests that the dissociation process correlates with a progressive loss of protein-protein contacts. Furthermore, an evaluation of internal protein dynamics using quasi-harmonic and order parameter analyses indicates that changes in protein internal motions are expected to contribute significantly to the thermodynamics of protein dissociation. Considering protein association as the reverse of the separation process, the initial role of charged/polar interactions is emphasized, followed by changes in protein and solvent dynamics. The trajectories show that protein separation does not follow a single distinct pathway, but suggest that the mechanism of dissociation is common in

  5. The Development of the Ducted Fan Noise Propagation and Radiation Code CDUCT-LaRC

    NASA Technical Reports Server (NTRS)

    Nark, Douglas M.; Farassat, F.; Pope, D. Stuart; Vatsa, Veer

    2003-01-01

    The development of the ducted fan noise propagation and radiation code CDUCT-LaRC at NASA Langley Research Center is described. This code calculates the propagation and radiation of given acoustic modes ahead of the fan face or aft of the exhaust guide vanes in the inlet or exhaust ducts, respectively. This paper gives a description of the modules comprising CDUCT-LaRC. The grid generation module provides automatic creation of numerical grids for complex (non-axisymmetric) geometries that include single or multiple pylons. Files for performing automatic inviscid mean flow calculations are also generated within this module. The duct propagation is based on the parabolic approximation theory of R. P. Dougherty. This theory allows the handling of complex internal geometries and the ability to study the effect of non-uniform (i.e. circumferentially and axially segmented) liners. Finally, the duct radiation module is based on the Ffowcs Williams-Hawkings (FW-H) equation with a penetrable data surface. Refraction of sound through the shear layer between the external flow and bypass duct flow is included. Results for benchmark annular ducts, as well as other geometries with pylons, are presented and compared with available analytical data.

  6. When can a high-resolution simulation over complex terrain be called LES?

    NASA Astrophysics Data System (ADS)

    Cuxart, Joan

    2015-12-01

    The ceaseless rise of computational power leads to a continuous increase of the resolution of the numerical models of the atmosphere. It is found today that operational models are run at horizontal resolutions near 1 km whereas research exercises for flows over complex terrain use resolutions at the hectometer scale. Horizontal resolutions of 100 m or finer have been used to perform Large-Eddy Simulations (LES) for some specific regimes like, e.g., the atmospheric boundary-layer in idealized configurations. However, to use the name "Large-Eddy Simulation" implies to be able to resolve at least the largest turbulent energetic eddies, which is almost impossible to reach with resolutions of the order of 100m for a real case, where many different processes occur linked to different scales, many of them even smaller than 100 m. Therefore, LES is an inappropriate denomination for these numerical exercises, that may simply be called High-Resolution Mesoscale Simulations.

  7. Simulation of guided waves in complex piping geometries using the elastodynamic finite integration technique.

    PubMed

    Rudd, Kevin E; Leonard, Kevin R; Bingham, Jill P; Hinders, Mark K

    2007-03-01

    Although many technologies exist for inspecting piping systems, they are most successful on straight pipes and are often unable to accommodate the added complexities of pipe elbows, bends, twists, and branches, particularly if the region of interest is inaccessible. This paper presents a numerical technique based on the elastodynamic finite integration technique for simulating guided elastic wave propagation in piping systems. Comparisons show agreement between experimental and simulated data, and guided wave interaction with flaws, focusing, and propagation in pipe bends are presented. These examples demonstrate the ability of the simulation method to be used to study elastic wave propagation in piping systems which include three-dimensional pipe bends, and suggest its potential as a design tool for designing pipe inspection hardware and ultrasonic signal processing algorithms.

  8. Modelling and simulation of complex sociotechnical systems: envisioning and analysing work environments

    PubMed Central

    Hettinger, Lawrence J.; Kirlik, Alex; Goh, Yang Miang; Buckle, Peter

    2015-01-01

    Accurate comprehension and analysis of complex sociotechnical systems is a daunting task. Empirically examining, or simply envisioning the structure and behaviour of such systems challenges traditional analytic and experimental approaches as well as our everyday cognitive capabilities. Computer-based models and simulations afford potentially useful means of accomplishing sociotechnical system design and analysis objectives. From a design perspective, they can provide a basis for a common mental model among stakeholders, thereby facilitating accurate comprehension of factors impacting system performance and potential effects of system modifications. From a research perspective, models and simulations afford the means to study aspects of sociotechnical system design and operation, including the potential impact of modifications to structural and dynamic system properties, in ways not feasible with traditional experimental approaches. This paper describes issues involved in the design and use of such models and simulations and describes a proposed path forward to their development and implementation. Practitioner Summary: The size and complexity of real-world sociotechnical systems can present significant barriers to their design, comprehension and empirical analysis. This article describes the potential advantages of computer-based models and simulations for understanding factors that impact sociotechnical system design and operation, particularly with respect to process and occupational safety. PMID:25761227

  9. GPU simulation of nonlinear propagation of dual band ultrasound pulse complexes

    SciTech Connect

    Kvam, Johannes Angelsen, Bjørn A. J.; Elster, Anne C.

    2015-10-28

    In a new method of ultrasound imaging, called SURF imaging, dual band pulse complexes composed of overlapping low frequency (LF) and high frequency (HF) pulses are transmitted, where the frequency ratio LF:HF ∼ 1 : 20, and the relative bandwidth of both pulses are ∼ 50 − 70%. The LF pulse length is hence ∼ 20 times the HF pulse length. The LF pulse is used to nonlinearly manipulate the material elasticity observed by the co-propagating HF pulse. This produces nonlinear interaction effects that give more information on the propagation of the pulse complex. Due to the large difference in frequency and pulse length between the LF and the HF pulses, we have developed a dual level simulation where the LF pulse propagation is first simulated independent of the HF pulse, using a temporal sampling frequency matched to the LF pulse. A separate equation for the HF pulse is developed, where the the presimulated LF pulse modifies the propagation velocity. The equations are adapted to parallel processing in a GPU, where nonlinear simulations of a typical HF beam of 10 MHz down to 40 mm is done in ∼ 2 secs in a standard GPU. This simulation is hence very useful for studying the manipulation effect of the LF pulse on the HF pulse.

  10. Comparing native and irradiated E. coli lactose repressor-operator complex by molecular dynamics simulation.

    PubMed

    Aci-Sèche, Samia; Garnier, Norbert; Goffinont, Stéphane; Genest, Daniel; Spotheim-Maurizot, Mélanie; Genest, Monique

    2010-09-01

    The function of the E. coli lactose operon requires the binding of the tetrameric repressor protein to the operator DNA. We have previously shown that gamma-irradiation destabilises the repressor-operator complex because the repressor gradually loses its DNA-binding ability (Radiat Res 170:604-612, 2008). It was suggested that the observed oxidation of tyrosine residues and the concomitant structural changes of irradiated headpieces (DNA-binding domains of repressor monomers) could be responsible for the inactivation. To unravel the mechanisms that lead to repressor-operator complex destabilisation when tyrosine oxidation occurs, we have compared by molecular dynamic simulations two complexes: (1) the native complex formed by two headpieces and the operator DNA, and (2) the damaged complex, in which all tyrosines are replaced by their oxidation product 3,4-dihydroxyphenylalanine (DOPA). On a 20 ns time scale, MD results show effects consistent with complex destabilisation: increased flexibility, increased DNA bending, modification of the hydrogen bond network, and decrease of the positive electrostatic potential at the protein surface and of the global energy of DNA-protein interactions. PMID:20349312

  11. FACET: A simulation software framework for modeling complex societal processes and interactions

    SciTech Connect

    Christiansen, J. H.

    2000-06-02

    FACET, the Framework for Addressing Cooperative Extended Transactions, was developed at Argonne National Laboratory to address the need for a simulation software architecture in the style of an agent-based approach, but with sufficient robustness, expressiveness, and flexibility to be able to deal with the levels of complexity seen in real-world social situations. FACET is an object-oriented software framework for building models of complex, cooperative behaviors of agents. It can be used to implement simulation models of societal processes such as the complex interplay of participating individuals and organizations engaged in multiple concurrent transactions in pursuit of their various goals. These transactions can be patterned on, for example, clinical guidelines and procedures, business practices, government and corporate policies, etc. FACET can also address other complex behaviors such as biological life cycles or manufacturing processes. To date, for example, FACET has been applied to such areas as land management, health care delivery, avian social behavior, and interactions between natural and social processes in ancient Mesopotamia.

  12. Complexity and Modularity of Intracellular Networks - A Systematic Approach for Modeling and Simulation

    PubMed Central

    Blinov, Michael L.; Ruebenacker, Oliver; Moraru, Ion I.

    2009-01-01

    Assembly of quantitative models of large complex networks brings about several challenges. One of them is combinatorial complexity, where relatively few signaling molecules can combine to form thousands or millions of distinct chemical species. A receptor that has several separate phosphorylation sites can exist in hundreds of different states, many of which must be accounted for individually when simulating the time course of signaling. When assembly of protein complexes is being included, the number of distinct molecular species can easily increase by a few orders of magnitude. Validation, visualization, and understanding the network can become intractable. Another challenge appears when the modeler needs to recast or grow a model. Keeping track of changes and adding new elements present a significant difficulty. We describe an approach to solve these challenges within the Virtual Cell (VCell). Using (i) automatic extraction from pathway databases of model components, and (ii) rules of interactions that serve as reaction network generators, we provide a way for semi-automatic generation of quantitative mathematical models that also facilitates the reuse of model elements. In this approach, kinetic models of large, complex networks can be assembled from separately constructed modules, either directly or via rules. To implement this approach, we have combined the strength of several related technologies: the BioPAX ontology, the BioNetGen rule-based description of molecular interactions, and the VCell modeling and simulation framework. PMID:19045831

  13. Advanced Turbofan Duct Liner Concepts

    NASA Technical Reports Server (NTRS)

    Bielak, Gerald W.; Premo, John W.; Hersh, Alan S.

    1999-01-01

    The Advanced Subsonic Technology Noise Reduction Program goal is to reduce aircraft noise by 10 EPNdB by the year 2000 relative, to 1992 technology. The improvement goal for nacelle attenuation is 25% relative to 1992 technology by 1997 and 50% by 2000. The Advanced Turbofan Duct Liner Concepts Task work by Boeing presented in this document was in support of these goals. The basis for the technical approach was a Boeing study conducted in 1993-94 under NASA/FAA contract NAS1-19349, Task 6, investigating broadband acoustic liner concepts. As a result of this work, it was recommended that linear double layer, linear and perforate triple layer, parallel element, and bulk absorber liners be further investigated to improve nacelle attenuations. NASA LaRC also suggested that "adaptive" liner concepts that would allow "in-situ" acoustic impedance control also be considered. As a result, bias flow and high-temperature liner concepts were also added to the investigation. The major conclusion from the above studies is that improvements in nacelle liner average acoustic impedance characteristics alone will not result in 25% increased nacelle noise reduction relative to 1992 technology. Nacelle design advancements currently being developed by Boeing are expected to add 20-40% more acoustic lining to hardwall regions in current inlets, which is predicted to result in and additional 40-80% attenuation improvement. Similar advancements are expected to allow 10-30% more acoustic lining in current fan ducts with 10-30% more attenuation expected. In addition, Boeing is currently developing a scarf inlet concept which is expected to give an additional 40-80% attenuation improvement for equivalent lining areas.

  14. URDME: a modular framework for stochastic simulation of reaction-transport processes in complex geometries

    PubMed Central

    2012-01-01

    Background Experiments in silico using stochastic reaction-diffusion models have emerged as an important tool in molecular systems biology. Designing computational software for such applications poses several challenges. Firstly, realistic lattice-based modeling for biological applications requires a consistent way of handling complex geometries, including curved inner- and outer boundaries. Secondly, spatiotemporal stochastic simulations are computationally expensive due to the fast time scales of individual reaction- and diffusion events when compared to the biological phenomena of actual interest. We therefore argue that simulation software needs to be both computationally efficient, employing sophisticated algorithms, yet in the same time flexible in order to meet present and future needs of increasingly complex biological modeling. Results We have developed URDME, a flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular and tetrahedral meshes to resolve general geometries, and relies on the Reaction-Diffusion Master Equation formalism to model the processes under study. An interface to a mature geometry and mesh handling external software (Comsol Multiphysics) provides for a stable and interactive environment for model construction. The core simulation routines are logically separated from the model building interface and written in a low-level language for computational efficiency. The connection to the geometry handling software is realized via a Matlab interface which facilitates script computing, data management, and post-processing. For practitioners, the software therefore behaves much as an interactive Matlab toolbox. At the same time, it is possible to modify and extend URDME with newly developed simulation routines. Since the overall design effectively hides the complexity of managing the geometry and meshes, this means that newly developed methods may be tested in a realistic

  15. Atomic Simulation of Complex DNA DSBs and the Interactions with the Ku70/80 Heterodimer

    NASA Technical Reports Server (NTRS)

    Hu, Shaowen; Cucinotta, Francis A.

    2011-01-01

    DNA double strand breaks (DSBs) induced by ionizing radiation (IR) usually contain modified bases such as 8-oxo-7,8-dihydroguanine (8-oxoG) and thymine glycol, apurinic/apyrimidinic (AP) sites, 2-deoxyribonolactone, or single-strand breaks (SSBs). The presence of such lesions in close proximity to the DSB terminus makes the DNA nicks more difficult to repair and rejoin than endogenously induced simple DSBs, and as such a major determinant of the biological effects of high linear energy transfer (LET) radiation as encountered in space travel. In this study we conducted molecular dynamics simulations on a series of DNA duplexes with various complex lesions of 8-oxoG and AP sites, in an effort to investigate the effects of such lesions to the structural integrity and stability of DNA after insulted by IR. We also simulated the interaction of such complex DSBs with the Ku70/80 heterodimer, the first protein in mammalian cells to embark the non-homologous end joining (NHEJ) DNA repair pathway. The results indicate, compared to DNA with simple DSBs, the complex lesions can enhance the hydrogen bonds opening rate at the DNA terminus, and increase the mobility of the whole duplex, thus they present more deleterious effects to the genome integrity if not captured and repaired promptly in cells. Simulations also demonstrate the binding of Ku drastically reduces structural disruption and flexibility caused by the complex lesions, and the interactions of Ku with complex DSBs have a different potential energy landscape from the bound structure with simple DSB. In all complex DSBs systems, the binding of DSB terminus with Ku70 is softened while the binding of the middle duplex with Ku80 is tightened. This energy shift may help the Ku protein to secure at the DSB terminus for a longer time, so that other end processing factors or repair pathways can proceed at the lesions before NHEJ repair process starts. These atomic simulations may provide valuable new insight into the

  16. Monitoring of Grouting Compactness in a Post-Tensioning Tendon Duct Using Piezoceramic Transducers.

    PubMed

    Jiang, Tianyong; Kong, Qingzhao; Wang, Wenxi; Huo, Linsheng; Song, Gangbing

    2016-08-22

    A post-tensioning tendon duct filled with grout can effectively prevent corrosion of the reinforcement, maintain bonding behavior between the reinforcement and concrete, and enhance the load bearing capacity of concrete structures. In practice, grouting of the post-tensioning tendon ducts always causes quality problems, which may reduce structural integrity and service life, and even cause accidents. However, monitoring of the grouting compactness is still a challenge due to the invisibility of the grout in the duct during the grouting process. This paper presents a stress wave-based active sensing approach using piezoceramic transducers to monitor the grouting compactness in real time. A segment of a commercial tendon duct was used as research object in this study. One lead zirconate titanate (PZT) piezoceramic transducer with marble protection, called a smart aggregate (SA), was bonded on the tendon and installed in the tendon duct. Two PZT patch sensors were mounted on the top outside surface of the duct, and one PZT patch sensor was bonded on the bottom outside surface of the tendon duct. In the active sensing approach, the SA was used as an actuator to generate a stress wave and the PZT sensors were utilized to detect the wave response. Cement or grout in the duct functions as a wave conduit, which can propagate the stress wave. If the cement or grout is not fully filled in the tendon duct, the top PZT sensors cannot receive much stress wave energy. The experimental procedures simulated four stages during the grout pouring process, which includes empty status, half grouting, 90% grouting, and full grouting of the duct. Experimental results show that the bottom PZT sensor can detect the signal when the grout level increases towards 50%, when a conduit between the SA and PZT sensor is formed. The top PZT sensors cannot receive any signal until the grout process is completely finished. The wavelet packet-based energy analysis was adopted in this research to

  17. Monitoring of Grouting Compactness in a Post-Tensioning Tendon Duct Using Piezoceramic Transducers

    PubMed Central

    Jiang, Tianyong; Kong, Qingzhao; Wang, Wenxi; Huo, Linsheng; Song, Gangbing

    2016-01-01

    A post-tensioning tendon duct filled with grout can effectively prevent corrosion of the reinforcement, maintain bonding behavior between the reinforcement and concrete, and enhance the load bearing capacity of concrete structures. In practice, grouting of the post-tensioning tendon ducts always causes quality problems, which may reduce structural integrity and service life, and even cause accidents. However, monitoring of the grouting compactness is still a challenge due to the invisibility of the grout in the duct during the grouting process. This paper presents a stress wave-based active sensing approach using piezoceramic transducers to monitor the grouting compactness in real time. A segment of a commercial tendon duct was used as research object in this study. One lead zirconate titanate (PZT) piezoceramic transducer with marble protection, called a smart aggregate (SA), was bonded on the tendon and installed in the tendon duct. Two PZT patch sensors were mounted on the top outside surface of the duct, and one PZT patch sensor was bonded on the bottom outside surface of the tendon duct. In the active sensing approach, the SA was used as an actuator to generate a stress wave and the PZT sensors were utilized to detect the wave response. Cement or grout in the duct functions as a wave conduit, which can propagate the stress wave. If the cement or grout is not fully filled in the tendon duct, the top PZT sensors cannot receive much stress wave energy. The experimental procedures simulated four stages during the grout pouring process, which includes empty status, half grouting, 90% grouting, and full grouting of the duct. Experimental results show that the bottom PZT sensor can detect the signal when the grout level increases towards 50%, when a conduit between the SA and PZT sensor is formed. The top PZT sensors cannot receive any signal until the grout process is completely finished. The wavelet packet-based energy analysis was adopted in this research to

  18. Monitoring of Grouting Compactness in a Post-Tensioning Tendon Duct Using Piezoceramic Transducers.

    PubMed

    Jiang, Tianyong; Kong, Qingzhao; Wang, Wenxi; Huo, Linsheng; Song, Gangbing

    2016-01-01

    A post-tensioning tendon duct filled with grout can effectively prevent corrosion of the reinforcement, maintain bonding behavior between the reinforcement and concrete, and enhance the load bearing capacity of concrete structures. In practice, grouting of the post-tensioning tendon ducts always causes quality problems, which may reduce structural integrity and service life, and even cause accidents. However, monitoring of the grouting compactness is still a challenge due to the invisibility of the grout in the duct during the grouting process. This paper presents a stress wave-based active sensing approach using piezoceramic transducers to monitor the grouting compactness in real time. A segment of a commercial tendon duct was used as research object in this study. One lead zirconate titanate (PZT) piezoceramic transducer with marble protection, called a smart aggregate (SA), was bonded on the tendon and installed in the tendon duct. Two PZT patch sensors were mounted on the top outside surface of the duct, and one PZT patch sensor was bonded on the bottom outside surface of the tendon duct. In the active sensing approach, the SA was used as an actuator to generate a stress wave and the PZT sensors were utilized to detect the wave response. Cement or grout in the duct functions as a wave conduit, which can propagate the stress wave. If the cement or grout is not fully filled in the tendon duct, the top PZT sensors cannot receive much stress wave energy. The experimental procedures simulated four stages during the grout pouring process, which includes empty status, half grouting, 90% grouting, and full grouting of the duct. Experimental results show that the bottom PZT sensor can detect the signal when the grout level increases towards 50%, when a conduit between the SA and PZT sensor is formed. The top PZT sensors cannot receive any signal until the grout process is completely finished. The wavelet packet-based energy analysis was adopted in this research to

  19. Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations

    NASA Astrophysics Data System (ADS)

    Jain, Vaibhav; Maiti, Prabal K.; Bharatam, Prasad V.

    2016-09-01

    Computational studies performed on dendrimer-drug complexes usually consider 1:1 stoichiometry, which is far from reality, since in experiments more number of drug molecules get encapsulated inside a dendrimer. In the present study, molecular dynamic (MD) simulations were implemented to characterize the more realistic molecular models of dendrimer-drug complexes (1:n stoichiometry) in order to understand the effect of high drug loading on the structural properties and also to unveil the atomistic level details. For this purpose, possible inclusion complexes of model drug Nateglinide (Ntg) (antidiabetic, belongs to Biopharmaceutics Classification System class II) with amine- and acetyl-terminated G4 poly(amidoamine) (G4 PAMAM(NH2) and G4 PAMAM(Ac)) dendrimers at neutral and low pH conditions are explored in this work. MD simulation analysis on dendrimer-drug complexes revealed that the drug encapsulation efficiency of G4 PAMAM(NH2) and G4 PAMAM(Ac) dendrimers at neutral pH was 6 and 5, respectively, while at low pH it was 12 and 13, respectively. Center-of-mass distance analysis showed that most of the drug molecules are located in the interior hydrophobic pockets of G4 PAMAM(NH2) at both the pH; while in the case of G4 PAMAM(Ac), most of them are distributed near to the surface at neutral pH and in the interior hydrophobic pockets at low pH. Structural properties such as radius of gyration, shape, radial density distribution, and solvent accessible surface area of dendrimer-drug complexes were also assessed and compared with that of the drug unloaded dendrimers. Further, binding energy calculations using molecular mechanics Poisson-Boltzmann surface area approach revealed that the location of drug molecules in the dendrimer is not the decisive factor for the higher and lower binding affinity of the complex, but the charged state of dendrimer and drug, intermolecular interactions, pH-induced conformational changes, and surface groups of dendrimer do play an

  20. Simulation of tracer dispersion from elevated and surface releases in complex terrain

    NASA Astrophysics Data System (ADS)

    Hernández, J. F.; Cremades, L.; Baldasano, J. M.

    A new version of an advanced mesoscale dispersion modeling system for simulating passive air pollutant dispersion in the real atmospheric planetary boundary layer (PBL), is presented. The system comprises a diagnostic mass-consistent meteorological model and a Lagrangian particle dispersion model (LADISMO). The former version of LADISMO, developed according to Zannetti (Air pollution modelling, 1990), was based on the Monte Carlo technique and included calculation of higher-order moments of vertical random forcing for convective conditions. Its ability to simulate complex flow dispersion has been stated in a previous paper (Hernández et al. 1995, Atmospheric Environment, 29A, 1331-1341). The new version follows Thomson's scheme (1984, Q. Jl Roy. Met. Soc.110, 1107-1120). It is also based on Langevin equation and follows the ideas given by Brusasca et al. (1992, Atmospheric Environment26A, 707-723) and Anfossi et al. (1992, Nuovo Cemento 15c, 139-158). The model is used to simulate the dispersion and predict the ground level concentration (g.l.c.) of a tracer (SF 6) released from both an elevated source ( case a) and a ground level source ( case b) in a highly complex mountainous terrain during neutral and synoptically dominated conditions ( case a) and light and apparently stable conditions ( case b). The last case is considered as being a specially difficult task to simulate. In fact, few works have reported situations with valley drainage flows in complex terrains and real stable atmospheric conditions with weak winds. The model assumes that nearly calm situations associated to strong stability and air stagnation, make the lowest layers of PBL poorly diffusive (Brusasca et al., 1992, Atmospheric Environment26A, 707-723). Model results are verified against experimental data from Guardo-90 tracer experiments, an intensive field campaign conducted in the Carrion river valley (Northern Spain) to study atmospheric diffusion within a steep walled valley in mountainous

  1. Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]- Ion-Molecule Complex

    SciTech Connect

    Xie, Jing; McClellan, Miranda; Sun, Rui; Kohale, Swapnil C.; Govind, Niranjan; Hase, William L.

    2015-02-05

    Direct dynamics simulations were used to study dissociation of the [CH3--I--OH]- complex ion, which was observed in a previous study of the OH- + CH3I gas phase reaction (J. Phys. Chem. A 2013, 117, 7162). Restricted B97-1 simulations were performed to study dissociation at 65, 75 and 100 kcal/mol and the [CH3--I--OH]- ion dissociated exponentially, in accord with RRKM theory. For these energies the major dissociation products are CH3I + OH-, CH2I- + H2O, and CH3OH + I-. Unrestricted B97-1 and restricted and unrestricted CAM-B3LYP simulations were also performed at 100 kcal/mol to compare with the restricted B97-1 results. The {CH3I + OH-}:{CH2I- + H2O}:{CH3OH + I-} product ratio is 0.72 : 0.15 : 0.13, 0.81 : 0.05 : 0.14, 0.71 : 0.19 : 0.10 , and 0.83 : 0.13 : 0.04 for the restricted B97-1, unrestricted B97-1, restricted CAM-B3LYP, and unrestricted CAM-B3LYP simulations, respectively. Other product channels found are CH2 + I- + H2O, CH2 + I-(H2O), CH4 + IO-, CH3 - + IOH, and CH3 + IOH-. The CH3 - + IOH singlet products are only given by the restricted B97-1 simulation and the lower energy CH3 + IOH- doublet products are only formed by the unrestricted B97-1 simulation. Also studied were the direct and indirect atomic-level mechanisms for forming CH3I + OH-, CH2I- + H2O, and CH3OH + I-. The majority of CH3I + OH- were formed through a direct mechanism. For both CH2I- + H2O and CH3OH + I-, the direct mechanism is overall more important than the indirect mechanisms, with the round-about like mechanism the most important indirect mechanism at high excitation energies. Mechanism comparisons between the B97-1 and CAM-B3LYP simulations showed that formation of the CH3OH---I- complex is favored for the B97-1 simulations, while formation of the HO----HCH2I complex is favored for the CAM-B3LYP simulations. The unrestricted simulations give a higher percentage of indirect mechanisms than the restricted simulations. The possible role of the self-interaction error in the

  2. How to solve complex problems in foundry plants - future of casting simulation -

    NASA Astrophysics Data System (ADS)

    Ohnaka, I.

    2015-06-01

    Although the computer simulation of casting has progressed dramatically over the last decades, there are still many challenges and problems. This paper discusses how to solve complex engineering problems in foundry plants and what we should do in the future, in particular, for casting simulation. First, problem solving procedures including application of computer simulation are demonstrated and various difficulties are pointed-out exemplifying mainly porosity defects in sand castings of spheroidal graphite cast irons. Next, looking back conventional scientific and engineering research to understand casting phenomena, challenges and problems are discussed from problem solving view point, followed by discussion on the issues we should challenge such as how to integrate huge amount of dispersed knowledge in various disciplines, differentiation of science-oriented and engineering-oriented models, professional ethics, how to handle fluctuating materials, initial and boundary conditions, error accumulation, simulation codes as black-box, etc. Finally some suggestions are made on how to challenge the issues such as promotion of research on the simulation based on the science- oriented model and publication of reliable data of casting phenomena in complicated-shaped castings including reconsideration of the evaluation system.

  3. Simulation of metal-ligand self-assembly into spherical complex M6L8.

    PubMed

    Yoneya, Makoto; Yamaguchi, Tomohiko; Sato, Sota; Fujita, Makoto

    2012-09-01

    Molecular dynamics simulations were performed to study the self-assembly of a spherical complex through metal-ligand coordination interactions. M(6)L(8), a nanosphere with six palladium ions and eight pyridine-capped tridentate ligands, was selected as a target system. We successfully observed the spontaneous formation of spherical shaped M(6)L(8) cages over the course of our simulations, starting from random initial placement of the metals and ligands. To simulate spontaneous coordination bond formations and breaks, the cationic dummy atom method was employed to model nonbonded metal-ligand interactions. A coarse-grained solvent model was used to fill the gap between the time scale of the supramolecular self-assembly and that accessible by common molecular dynamics simulation. The simulated formation process occurred in the distinct three-stage (assembly, evolution, fixation) process that is well correlated with the experimental results. We found that the difference of the lifetime (or the ligand exchange rate) between the smaller-sized incomplete clusters and the completed M(6)L(8) nanospheres is crucially important in their supramolecular self-assembly.

  4. Simulating the Complex Cell Design of Trypanosoma brucei and Its Motility

    PubMed Central

    Alizadehrad, Davod; Krüger, Timothy; Engstler, Markus; Stark, Holger

    2015-01-01

    The flagellate Trypanosoma brucei, which causes the sleeping sickness when infecting a mammalian host, goes through an intricate life cycle. It has a rather complex propulsion mechanism and swims in diverse microenvironments. These continuously exert selective pressure, to which the trypanosome adjusts with its architecture and behavior. As a result, the trypanosome assumes a diversity of complex morphotypes during its life cycle. However, although cell biology has detailed form and function of most of them, experimental data on the dynamic behavior and development of most morphotypes is lacking. Here we show that simulation science can predict intermediate cell designs by conducting specific and controlled modifications of an accurate, nature-inspired cell model, which we developed using information from live cell analyses. The cell models account for several important characteristics of the real trypanosomal morphotypes, such as the geometry and elastic properties of the cell body, and their swimming mechanism using an eukaryotic flagellum. We introduce an elastic network model for the cell body, including bending rigidity and simulate swimming in a fluid environment, using the mesoscale simulation technique called multi-particle collision dynamics. The in silico trypanosome of the bloodstream form displays the characteristic in vivo rotational and translational motility pattern that is crucial for survival and virulence in the vertebrate host. Moreover, our model accurately simulates the trypanosome's tumbling and backward motion. We show that the distinctive course of the attached flagellum around the cell body is one important aspect to produce the observed swimming behavior in a viscous fluid, and also required to reach the maximal swimming velocity. Changing details of the flagellar attachment generates less efficient swimmers. We also simulate different morphotypes that occur during the parasite's development in the tsetse fly, and predict a flagellar

  5. A flexible object-oriented software framework for developing complex multimedia simulations.

    SciTech Connect

    Sydelko, P. J.; Dolph, J. E.; Christiansen, J. H.

    2002-05-03

    Decision makers involved in brownfields redevelopment and long-term stewardship must consider environmental conditions, future-use potential, site ownership, area infrastructure, funding resources, cost recovery, regulations, risk and liability management, community relations, and expected return on investment in a comprehensive and integrated fashion to achieve desired results. Successful brownfields redevelopment requires the ability to assess the impacts of redevelopment options on multiple interrelated aspects of the ecosystem, both natural and societal. Computer-based tools, such as simulation models, databases, and geographical information systems (GISs) can be used to address brownfields planning and project execution. The transparent integration of these tools into a comprehensive and dynamic decision support system would greatly enhance the brownfields assessment process. Such a system needs to be able to adapt to shifting and expanding analytical requirements and contexts. The Dynamic Information Architecture System (DIAS) is a flexible, extensible, object-oriented framework for developing and maintaining complex multidisciplinary simulations of a wide variety of application domains. The modeling domain of a specific DIAS-based simulation is determined by (1) software objects that represent the real-world entities that comprise the problem space (atmosphere, watershed, human), and (2) simulation models and other data processing applications that express the dynamic behaviors of the domain entities. Models and applications used to express dynamic behaviors can be either internal or external to DIAS, including existing legacy models written in various languages (FORTRAN, C, etc.). The flexible design framework of DIAS makes the objects adjustable to the context of the problem without a great deal of recoding. The DIAS Spatial Data Set facility allows parameters to vary spatially depending on the simulation context according to any of a number of 1-D, 2-D

  6. Duct Remediation Program: Remediation operations and implementation

    SciTech Connect

    Beckman, T.d.; Davis, M.M.; Karas, T.M.

    1992-11-01

    Plutonium holdup material has accumulated in the process ventilation duct systems at Rocky Flats. Non-Destructive Assay (NDA) measurements identified ducts containing this material. The Defense Nuclear Facility Safety Board and the Department of Energy established the criteria for remediation of these ducts. A remediation team was assembled and a program plan created. This program plan included activities such as fissile material accumulation identification, criticality safety assessments, radiation dose determinations, facility safety evaluations, prevention of future accumulation, and removal of holdup material. Several operational considerations had to be evaluated in determining completion of remediation.

  7. Magnetospheric whistler ducts observed by ISIS satellites

    NASA Technical Reports Server (NTRS)

    Ondoh, T.

    1976-01-01

    The latitudinal width of the magnetospheric whistler duct has been estimated by the first and final invariant latitudes of whistler echoes and the conservation of the magnetic flux for the centered dipole field, using 105 whistler echoes in ISIS VLF data received at Kashima, Japan for 1972-1973. The latitudinal distribution of whistler duct occurrence shows a maximum at invariant latitudes of 40-45 degrees near the maximum occurrence latitude of ground whistlers. The radial width of magnetospheric whistler duct in the geomagnetically equatorial plane increases with invariant latitude of the geomagnetic flux tube in which whistlers propagate.

  8. [Degenerated papillomatosis of the bile duct].

    PubMed

    De Castro Gutiérrez, J; Armengol Carrasco, M; Oller Sales, B; Fdez-Llamazares Rodríguez, J; Julián Ibáñez, J F; Broggi Trías, M A; Salvá Lacombe, J A

    1989-07-01

    Papillomatosis of the biliary ducts is exceptional. It is defined by the presence of multiple, benign, papillary type, epithelial tumors on the choledochus and hepatic ducts, and can also effect the gallbladder and intrahepatic bile ducts. It courses with a tendency to recurrence and secondary degeneration, and its prognosis is uncertain and sometimes grave. The treatment is surgical and depends on the extension of the lesions, often being only palliative. The techniques of choice are curettage and biliodigestive derivation. A case is presented of degenerated papillomatosis treated by cephalic duodenopancreatectomy and cholecystectomy.

  9. Molecular Simulation of Copper Complexation by a Model of Dissolved Organic Matter

    NASA Astrophysics Data System (ADS)

    Newton, A. G.; Sposito, G.

    2008-12-01

    The coadsorption of cations and organic matter to mineral surfaces has been proposed as a mechanism to stabilize soil organic carbon and explain enhanced cation adsorption in soils. Spectroscopic investigations of coadsorption in copper (Cu)-organic ligand-mineral systems have provided conclusive evidence that ternary surface complexes do occur in instances where the simple organic ligand possesses a minimal number of homogeneous binding sites. Although the results of many experimental and spectroscopic investigations of ternary systems with dissolved organic matter (DOM) suggest that ternary surface complexes may be present, unambiguous conclusions cannot be drawn due to the nature of DOM and the heterogeneity of DOM binding sites. Molecular simulations of ternary surface complexes are powerful tools that can be used in the interpretation of spectroscopic data from these experimental systems. Molecular simulations of Cu-DOM coadsorption at mineral surfaces require a model of Cu-DOM that adequately reproduces the physical-chemical behavior of natural Cu-DOM. The Cu-saturated Schulten DOM molecule, whose charge from deprotonated carboxyl groups was balanced by Cu2+ ions, was modeled using the COMPASS forcefield and energy minimization and molecular dynamics algorithms. Compared to previous simulations of Na- and Ca-saturated Schulten DOM, the Cu-DOM was more compact and spherical, as demonstrated by the decreases in the surface area, surface area: volume ratio, porosity, and radius of gyration and by an increase in the volume. The Cu-DOM complex is more polar than Ca-DOM and less polar than Na-DOM, as indicated by the dipole moment and extent of hydrogen bonding. The Cu2+ ion coordination environment contains an average of four oxygen atoms at 2.04 Å from the metal center. These first shell atoms are primarily water and carboxylate oxygen, although oxygen atoms from carbonyl, phenolic, and esters functionalities as well as nitrogen groups are also present. The DOM

  10. Understanding Crew Decision-Making in the Presence of Complexity: A Flight Simulation Experiment

    NASA Technical Reports Server (NTRS)

    Young, Steven D.; Daniels, Taumi S.; Evans, Emory; deHaag, Maarten Uijt; Duan, Pengfei

    2013-01-01

    Crew decision making and response have long been leading causal and contributing factors associated with aircraft accidents. Further, it is anticipated that future aircraft and operational environments will increase exposure to risks related to these factors if proactive steps are not taken to account for ever-increasing complexity. A flight simulation study was designed to collect data to help in understanding how complexity can, or may, be manifest. More specifically, an experimental apparatus was constructed that allowed for manipulation of information complexity and uncertainty, while also manipulating operational complexity and uncertainty. Through these manipulations, and the aid of experienced airline pilots, several issues have been discovered, related most prominently to the influence of information content, quality, and management. Flight crews were immersed in an environment that included new operational complexities suggested for the future air transportation system as well as new technological complexities (e.g. electronic flight bags, expanded data link services, synthetic and enhanced vision systems, and interval management automation). In addition, a set of off-nominal situations were emulated. These included, for example, adverse weather conditions, traffic deviations, equipment failures, poor data quality, communication errors, and unexpected clearances, or changes to flight plans. Each situation was based on one or more reference events from past accidents or incidents, or on a similar case that had been used in previous developmental tests or studies. Over the course of the study, 10 twopilot airline crews participated, completing over 230 flights. Each flight consisted of an approach beginning at 10,000 ft. Based on the recorded data and pilot and research observations, preliminary results are presented regarding decision-making issues in the presence of the operational and technological complexities encountered during the flights.

  11. Investigation of the interfacial tension of complex coacervates using field-theoretic simulations

    NASA Astrophysics Data System (ADS)

    Riggleman, Robert A.; Kumar, Rajeev; Fredrickson, Glenn H.

    2012-01-01

    Complex coacervation, a liquid-liquid phase separation that occurs when two oppositely charged polyelectrolytes are mixed in a solution, has the potential to be exploited for many emerging applications including wet adhesives and drug delivery vehicles. The ultra-low interfacial tension of coacervate systems against water is critical for such applications, and it would be advantageous if molecular models could be used to characterize how various system properties (e.g., salt concentration) affect the interfacial tension. In this article we use field-theoretic simulations to characterize the interfacial tension between a complex coacervate and its supernatant. After demonstrating that our model is free of ultraviolet divergences (calculated properties converge as the collocation grid is refined), we develop two methods for calculating the interfacial tension from field-theoretic simulations. One method relies on the mechanical interpretation of the interfacial tension as the interfacial pressure, and the second method estimates the change in free energy as the area between the two phases is changed. These are the first calculations of the interfacial tension from full field-theoretic simulation of which we are aware, and both the magnitude and scaling behaviors of our calculated interfacial tension agree with recent experiments.

  12. Investigation of the interfacial tension of complex coacervates using field-theoretic simulations

    SciTech Connect

    Kumar, Rajeev

    2012-01-01

    Complex coacervation, a liquid-liquid phase separation that occurs when two oppositely charged polyelectrolytes are mixed in a solution, has the potential to be exploited for many emerging applications including wet adhesives and drug delivery vehicles. The ultra-low interfacial tension of coacervate systems against water is critical for such applications, and it would be advantageous if molecular models could be used to characterize how various system properties (e.g., salt concentration) affect the interfacial tension. In this article we use field-theoretic simulations to characterize the interfacial tension between a complex coacervate and its supernatant. After demonstrating that our model is free of ultraviolet divergences (calculated properties converge as the collocation grid is refined), we develop two methods for calculating the interfacial tension from field-theoretic simulations. One method relies on the mechanical interpretation of the interfacial tension as the interfacial pressure, and the second method estimates the change in free energy as the area between the two phases is changed. These are the first calculations of the interfacial tension from full field theoretic simulation of which we are aware, and both the magnitude and scaling behaviors of our calculated interfacial tension agree with recent experiments.

  13. Godunov method for multiprobe cryosurgery simulation with complex-shaped tumors

    NASA Astrophysics Data System (ADS)

    Tarwidi, D.

    2016-02-01

    Cryosurgery is a technique to eradicate abnormal biological tissues by freezing. The objective of cryosurgery is to maximize cryoinjury of tumor tissues while at the same time minimizing cryoinjury to the surrounding healthy tissues. The location and number of cryoprobes are important factors to obtain optimal cryosurgery in complex-shaped tumors. This paper presents multiprobe cryosurgery simulation with optimal cryoprobes location in target region. Bubble packing method is used to obtain optimal cryoprobes layout. We consider mathematical model of freezing by bioheat transfer equation in solid (frozen tissue), liquid (unfrozen tissue), and mushy region. This model is referred to as Stefan problem where the location of moving solid-mushy or mushy-liquid interface is not known and it is as part of the solution. We reformulate the bioheat equations into single enthalpy (energy) equation which can resolve the moving boundary between two phases. The first-order of Godunov method is adopted to obtain numerical solution of the phase change problem. This method is easily applied since we only solve one governing equation regardless the moving interface between two phases. For demonstration purposes, multiprobe cryosurgery for lung cancer case with complex geometry is simulated and interpreted. The numerical simulation for three to ten cryoprobes configuration shows that the nine cryoprobes layout has the smallest total defect in this case. The numerical results provide an important information for cryosurgeon before conducting effective cryosurgery protocol.

  14. Numerical Simulations of Low Pressure Inductively Coupled Plasmas in Geometrically Complex Reactors

    NASA Astrophysics Data System (ADS)

    Yu, Ben; Wu, Hanming; Krishnan, Anantha

    1996-10-01

    A two-dimensional fluid model has been developed for simulation of low pressure inductively coupled plasma (ICP) reactors. The model obtains solutions for the plasma density, electron temperature, and electric field for the given operating conditions. The physical phenomena and processes such as ambipolar diffusion, thermal diffusion, quasi-neutrality, ionization, inductive Joule heating, and excitations are considered in the model. A significant feature of the model is its capability of handling complex geometries that are often encountered in industrial reactors. Complex reactor geometries are modeled by a body-fitted-coordinate (BFC) formulation. A series of numerical experiments have been conducted using the model to study effects of various parameters such as chamber pressure, size of the wafer, position of the inductive coil, and the power input into the plasma. Different reactor geometries such as the GEC ICP reference cell and the belljar reactor have been simulated. The results of the parametric experiments are presented to show certain systematic trends in performance parameters such as uniformity and processing rates. The ICP model has been coupled to a computational fluid dynamics (CFD) code (capable of 3D simulations) that obtains the flow and pressure distribution inside the chamber. The ICP model will use pressure predictions (from the CFD model) to compute the local ionization rates. Chemical source/sink terms from the plasma dissociation model will be used by the CFD code to account for local reactant depletion effects.

  15. All-atom molecular dynamics simulation of a photosystem i/detergent complex.

    PubMed

    Harris, Bradley J; Cheng, Xiaolin; Frymier, Paul

    2014-10-01

    All-atom molecular dynamics (MD) simulation was used to investigate the solution structure and dynamics of the photosynthetic pigment-protein complex photosystem I (PSI) from Thermosynechococcus elongatus embedded in a toroidal belt of n-dodecyl-β-d-maltoside (DDM) detergent. Evaluation of root-mean-square deviations (RMSDs) relative to the known crystal structure show that the protein complex surrounded by DDM molecules is stable during the 200 ns simulation time, and root-mean-square fluctuation (RMSF) analysis indicates that regions of high local mobility correspond to solvent-exposed regions such as turns in the transmembrane α-helices and flexible loops on the stromal and lumenal faces. Comparing the protein-detergent complex to a pure detergent micelle, the detergent surrounding the PSI trimer is found to be less densely packed but with more ordered detergent tails, contrary to what is seen in most lipid bilayer models. We also investigated any functional implications for the observed conformational dynamics and protein-detergent interactions, discovering interesting structural changes in the psaL subunits associated with maintaining the trimeric structure of the protein. Importantly, we find that the docking of soluble electron mediators such as cytochrome c6 and ferredoxin to PSI is not significantly impacted by the solubilization of PSI in detergent.

  16. Simulation of radioactive plume gamma dose over a complex terrain using Lagrangian particle dispersion model.

    PubMed

    Rakesh, P T; Venkatesan, R; Hedde, Thierry; Roubin, Pierre; Baskaran, R; Venkatraman, B

    2015-07-01

    FLEXPART-WRF is a versatile model for the simulation of plume dispersion over a complex terrain in a mesoscale region. This study deals with its application to the dispersion of a hypothetical air borne gaseous radioactivity over a topographically complex nuclear site in southeastern France. A computational method for calculating plume gamma dose to the ground level receptor is introduced in FLEXPART using the point kernel method. Comparison with another similar dose computing code SPEEDI is carried out. In SPEEDI the dose is calculated for specific grid sizes, the lowest available being 250 m, whereas in FLEXPART it is grid independent. Spatial distribution of dose by both the models is analyzed. Due to the ability of FLEXPART to utilize the spatio-temporal variability of meteorological variables as input, particularly the height of the PBL, the simulated dose values were higher than SPEEDI estimates. The FLEXPART-WRF in combination with point kernel dose module gives a more realistic picture of plume gamma dose distribution in a complex terrain, a situation likely under accidental release of radioactivity in a mesoscale range. PMID:25863323

  17. Simulation of radioactive plume gamma dose over a complex terrain using Lagrangian particle dispersion model.

    PubMed

    Rakesh, P T; Venkatesan, R; Hedde, Thierry; Roubin, Pierre; Baskaran, R; Venkatraman, B

    2015-07-01

    FLEXPART-WRF is a versatile model for the simulation of plume dispersion over a complex terrain in a mesoscale region. This study deals with its application to the dispersion of a hypothetical air borne gaseous radioactivity over a topographically complex nuclear site in southeastern France. A computational method for calculating plume gamma dose to the ground level receptor is introduced in FLEXPART using the point kernel method. Comparison with another similar dose computing code SPEEDI is carried out. In SPEEDI the dose is calculated for specific grid sizes, the lowest available being 250 m, whereas in FLEXPART it is grid independent. Spatial distribution of dose by both the models is analyzed. Due to the ability of FLEXPART to utilize the spatio-temporal variability of meteorological variables as input, particularly the height of the PBL, the simulated dose values were higher than SPEEDI estimates. The FLEXPART-WRF in combination with point kernel dose module gives a more realistic picture of plume gamma dose distribution in a complex terrain, a situation likely under accidental release of radioactivity in a mesoscale range.

  18. Dynamic Simulation of VEGA SRM Bench Firing By Using Propellant Complex Characterization

    NASA Astrophysics Data System (ADS)

    Di Trapani, C. D.; Mastrella, E.; Bartoccini, D.; Squeo, E. A.; Mastroddi, F.; Coppotelli, G.; Linari, M.

    2012-07-01

    During the VEGA launcher development, from the 2004 up to now, 8 firing tests have been performed at Salto di Quirra (Sardinia, Italy) and Kourou (Guyana, Fr) with the objective to characterize and qualify of the Zefiros and P80 Solid Rocket Motors (SRM). In fact the VEGA launcher configuration foreseen 3 solid stages based on P80, Z23 and Z9 Solid Rocket Motors respectively. One of the primary objectives of the firing test is to correctly characterize the dynamic response of the SRM in order to apply such a characterization to the predictions and simulations of the VEGA launch dynamic environment. Considering that the solid propellant is around 90% of the SRM mass, it is very important to dynamically characterize it, and to increase the confidence in the simulation of the dynamic levels transmitted to the LV upper part from the SRMs. The activity is articulated in three parts: • consolidation of an experimental method for the dynamic characterization of the complex dynamic elasticity modulus of elasticity of visco-elastic materials applicable to the SRM propellant operative conditions • introduction of the complex dynamic elasticity modulus in a numerical FEM benchmark based on MSC NASTRAN solver • analysis of the effect of the introduction of the complex dynamic elasticity modulus in the Zefiros FEM focusing on experimental firing test data reproduction with numerical approach.

  19. Simulation of the mobility of metal - EDTA complexes in groundwater: The influence of contaminant metals

    USGS Publications Warehouse

    Friedly, J.C.; Kent, D.B.; Davis, J.A.

    2002-01-01

    Reactive transport simulations were conducted to model chemical reactions between metal - EDTA (ethylenediaminetetraacetic acid) complexes during transport in a mildly acidic quartz - sand aquifer. Simulations were compared with the results of small-scale tracer tests wherein nickel-, zinc-, and calcium - EDTA complexes and free EDTA were injected into three distinct chemical zones of a plume of sewage-contaminated groundwater. One zone had a large mass of adsorbed, sewage-derived zinc; one zone had a large mass of adsorbed manganese resulting from mildly reducing conditions created bythe sewage plume; and one zone had significantly less adsorbed manganese and negligible zinc background. The chemical model assumed that the dissolution of iron(III) from metal - hydroxypolymer coatings on the aquifer sediments by the metal - EDTA complexes was kinetically restricted. All other reactions, including metal - EDTA complexation, zinc and manganese adsorption, and aluminum hydroxide dissolution were assumed to reach equilibrium on the time scale of transport; equilibrium constants were either taken from the literature or determined independently in the laboratory. A single iron(III) dissolution rate constant was used to fit the breakthrough curves observed in the zone with negligible zinc background. Simulation results agreed well with the experimental data in all three zones, which included temporal moments derived from breakthrough curves at different distances downgradient from the injections and spatial moments calculated from synoptic samplings conducted at different times. Results show that the tracer cloud was near equilibrium with respect to Fe in the sediment after 11 m of transport in the Zn-contaminated region but remained far from equilibrium in the other two zones. Sensitivity studies showed that the relative rate of iron(III) dissolution by the different metal - EDTA complexes was less important than the fact that these reactions are rate controlled. Results

  20. In Defense of Simulating Complex and Tragic Historical Episodes: A Measured Response to the Outcry over a New England Slavery Simulation

    ERIC Educational Resources Information Center

    Wright-Maley, Cory

    2014-01-01

    A slavery simulation that took place as part of a field trip for students of a Hartford junior high academy led a father to file a human rights suit against the school district, and for one official to comment that simulations of complex and tragic human phenomena have "no place in an educational system." In light of these conclusions,…

  1. Examination of Duct Physiology in the Human Mammary Gland

    PubMed Central

    Mills, Dixie; Gomberawalla, Ameer; Gordon, Eva J.; Tondre, Julie; Nejad, Mitra; Nguyen, Tinh; Pogoda, Janice M.; Rao, Jianyu; Chatterton, Robert; Henning, Susanne; Love, Susan M.

    2016-01-01

    Background The human breast comprise several ductal systems, or lobes, which contain a small amount of fluid containing cells, hormones, proteins and metabolites. The complex physiology of these ducts is likely a contributing factor to the development of breast cancer, especially given that the vast majority of breast cancers begin in a single lobular unit. Methods We examined the levels of total protein, progesterone, estradiol, estrone sulfate, dehydroepiandrosterone sulfate, and macrophages in ductal fluid samples obtained from 3 ducts each in 78 women, sampled twice over a 6 month period. Samples were processed for both cytological and molecular analysis. Intraclass correlation coefficients and mixed models were utilized to identify significant data. Results We found that the levels of these ductal fluid components were generally uncorrelated among ducts within a single breast and over time, suggesting that each lobe within the breast has a distinct physiology. However, we also found that estradiol was more correlated in women who were nulliparous or produced nipple aspirate fluid. Conclusions Our results provide evidence that the microenvironment of any given lobular unit is unique to that individual unit, findings that may provide clues about the initiation and development of ductal carcinomas. PMID:27073976

  2. Suppression of broadband noise radiated by a low-speed fan in a duct.

    PubMed

    Huang, L; Ma, X; Feng, L G

    2010-07-01

    Attenuation of ducted fan noise remains a technical challenge in the low frequency range as traditional duct lining becomes ineffective. This study proposes a reactive method to suppress the sound radiation from an axial-flow fan. The method is particularly effective in the low frequency region and covers a broad band. Its effect is derived from two mechanisms. One is the reduction in the confining effects of duct walls when the duct radius is increased; the other is the acoustic interference between the direct radiation from the fan and reflections by the duct junctions. This interference is always destructive for axial dipoles when the frequency approaches zero. This performance differs from normal passive control methods, which become totally ineffective toward zero frequency. An approximate plane-wave theory explains the essential physics of the method, and its quantitative prediction is found to agree well with a full numerical simulation using a spectral method of Chebyshev collocation. The latter is validated by experiment using an axial-flow fan in a duct of finite length. Broadband noise reduction is achieved while the flow speed is kept unchanged. Practical difficulties of implementation for a fan with high pressure increase are discussed.

  3. A mathematical approach enabling the calculation of the total endolymph flow in the semicircular ducts.

    PubMed

    Muller, M; Verhagen, J H

    1988-10-21

    1. A mathematical treatment of the flow inside the vertebrate labyrinth is given. The main difference to former theories (e.g. the "torsion pendulum" theory) is that the entire system formed by the three semicircular ducts, interconnected by the crus commune and the utriculus, is considered, instead of a single duct circuit. 2. The theory consists of a geometrical description of a labyrinth rotating in space, the solution of the continuity equation, determination of the initial velocities in all the ducts in a "cupulometry" experiment and derivation of the equation of motion (e.o.m.). 3. Equations for a system consisting of two ducts and for the classical single-duct system are special cases of the three-duct system. 4. Three different methods for the solution of the e.o.m. are described: an analytical one, a Runge-Kutta simulation and an "asymptotic" method. The last method includes approximations of the solution of the e.o.m. on a long and a short time scale. Its advantage is that it gives an insight based on rather manageable formulae. 5. The physiological basis of the presented theory, biological applications and verification are given in a separate paper (Muller & Verhagen, 1988).

  4. Forced convection of turbulent flow in triangular ducts with different angles and surface roughnesses

    NASA Astrophysics Data System (ADS)

    Leung, C. W.; Wong, T. T.; Kang, H. J.

    The experimental investigations were consisting of two parts. The first part was carried out to study the effect of corner geometry on the steady-state forced convection inside horizontal isosceles triangular ducts with sharp corners. The electrically-heated triangular duct was used to simulate the triangular passage of a plate-fin compact heat exchanger. The isosceles triangular ducts were manufactured with duralumin, and fabricated with the same length of 2.4m and hydraulic diameter of 0.44m, but five different apex angles (i.e. θa=15∘,30∘, 40∘,60∘, and 90∘) respectively. The investigation was performed under turbulent flow condition covering a wide range of Reynolds number (i.e. 7000<=ReD<=20000). It was found that the best thermal performance is achieved with the apex angle of 60∘. The second part was performed to investigate the effect of surface roughness on the forced convection of the same system. Horizontal equilateral triangular ducts with an apex angle of 60∘ were fabricated with the same length and hydraulic diameter, but different average surface roughnesses of 1.2 m,3.0 m and 11.5 m respectively. It was concluded that the duct with a higher surface roughness will have a better heat transfer performance. Non-dimensional expressions for the determination of the heat transfer coefficient of the triangular ducts with different apex angles and surface roughnesses were also developed.

  5. World, We Have Problems: Simulation for Large Complex, Risky Projects, and Events

    NASA Technical Reports Server (NTRS)

    Elfrey, Priscilla

    2010-01-01

    Prior to a spacewalk during the NASA STS/129 mission in November 2009, Columbia Broadcasting System (CBS) correspondent William Harwood reported astronauts, "were awakened again", as they had been the day previously. Fearing something not properly connected was causing a leak, the crew, both on the ground and in space, stopped and checked everything. The alarm proved false. The crew did complete its work ahead of schedule, but the incident reminds us that correctly connecting hundreds and thousands of entities, subsystems and systems, finding leaks, loosening stuck valves, and adding replacements to very large complex systems over time does not occur magically. Everywhere major projects present similar pressures. Lives are at - risk. Responsibility is heavy. Large natural and human-created disasters introduce parallel difficulties as people work across boundaries their countries, disciplines, languages, and cultures with known immediate dangers as well as the unexpected. NASA has long accepted that when humans have to go where humans cannot go that simulation is the sole solution. The Agency uses simulation to achieve consensus, reduce ambiguity and uncertainty, understand problems, make decisions, support design, do planning and troubleshooting, as well as for operations, training, testing, and evaluation. Simulation is at the heart of all such complex systems, products, projects, programs, and events. Difficult, hazardous short and, especially, long-term activities have a persistent need for simulation from the first insight into a possibly workable idea or answer until the final report perhaps beyond our lifetime is put in the archive. With simulation we create a common mental model, try-out breakdowns of machinery or teamwork, and find opportunity for improvement. Lifecycle simulation proves to be increasingly important as risks and consequences intensify. Across the world, disasters are increasing. We anticipate more of them, as the results of global warming

  6. Foot-ankle simulators: A tool to advance biomechanical understanding of a complex anatomical structure.

    PubMed

    Natsakis, Tassos; Burg, Josefien; Dereymaeker, Greta; Jonkers, Ilse; Vander Sloten, Jos

    2016-05-01

    In vitro gait simulations have been available to researchers for more than two decades and have become an invaluable tool for understanding fundamental foot-ankle biomechanics. This has been realised through several incremental technological and methodological developments, such as the actuation of muscle tendons, the increase in controlled degrees of freedom and the use of advanced control schemes. Furthermore, in vitro experimentation enabled performing highly repeatable and controllable simulations of gait during simultaneous measurement of several biomechanical signals (e.g. bone kinematics, intra-articular pressure distribution, bone strain). Such signals cannot always be captured in detail using in vivo techniques, and the importance of in vitro experimentation is therefore highlighted. The information provided by in vitro gait simulations enabled researchers to answer numerous clinical questions related to pathology, injury and surgery. In this article, first an overview of the developments in design and methodology of the various foot-ankle simulators is presented. Furthermore, an overview of the conducted studies is outlined and an example of a study aiming at understanding the differences in kinematics of the hindfoot, ankle and subtalar joints after total ankle arthroplasty is presented. Finally, the limitations and future perspectives of in vitro experimentation and in particular of foot-ankle gait simulators are discussed. It is expected that the biofidelic nature of the controllers will be improved in order to make them more subject-specific and to link foot motion to the simulated behaviour of the entire missing body, providing additional information for understanding the complex anatomical structure of the foot. PMID:27160562

  7. Automating Embedded Analysis Capabilities and Managing Software Complexity in Multiphysics Simulation, Part I: Template-Based Generic Programming

    SciTech Connect

    Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.

    2012-01-01

    An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++ language to transform a given calculation into one that can compute a variety of additional quantities that are necessary for many state-of-the-art simulation and analysis algorithms. An approach for incorporating these ideas into complex simulation codes through general graph-based assembly is also presented. These ideas have been implemented within a set of packages in the Trilinos framework and are demonstrated on a simple problem from chemical engineering.

  8. Automating Embedded Analysis Capabilities and Managing Software Complexity in Multiphysics Simulation, Part I: Template-Based Generic Programming

    DOE PAGES

    Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.

    2012-01-01

    An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++ language to transform a given calculation into one that can compute a variety of additional quantities that are necessary for many state-of-the-art simulation and analysis algorithms. An approach for incorporating these ideas into complex simulation codes through general graph-based assembly is also presented. These ideas have been implemented within a set of packages in the Trilinos framework and are demonstrated on a simple problem from chemical engineering.

  9. Simulating complex storm surge dynamics: Three-dimensionality, vegetation effect, and onshore sediment transport

    NASA Astrophysics Data System (ADS)

    Lapetina, Andrew; Sheng, Y. Peter

    2015-11-01

    The 3-D hydrodynamics of storm surge events, including the effects of vegetation and impact on onshore transport of marine sediment, have important consequences for coastal communities. Here, complex storm surge dynamics during Hurricane Ike are investigated using a three-dimensional (3-D), vegetation-resolving storm surge-wave model (CH3D-SWAN) which includes such effects of vegetation as profile drag, skin friction, and production, dissipation, and transport of turbulence. This vegetation-resolving 3-D model features a turbulent kinetic energy (TKE) closure model, which uses momentum equations with vegetation-induced profile and skin friction drags, a dynamic q2 equation including turbulence production and dissipation by vegetation, as well as vegetation-dependent algebraic length-scale equations, and a Smagorinsky-type horizontal turbulence model. This vegetation model has been verified using extensive laboratory tests, but this study is a comparison of 2-D and 3-D simulations of complex storm surge dynamics during Hurricane Ike. We examine the value of 3-D storm surge models relative to 2-D models for simulating coastal currents, effects of vegetation on surge, and sediment transport during storm events. Comparisons are made between results obtained using simple 2-D formulations for bottom friction, the Manning coefficient (MC) approach, and physics-based 3-D vegetation-modeling (VM) approach. Last, the role that the 3-D hydrodynamics on onshore transport and deposition of marine sediments during the storm is investigated. While both the 3-D and 2-D results simulated the water level dynamics, results of the physics-based 3-D VM approach, as compared to the 2-D MC approach, more accurately captures the complex storm surge dynamics.

  10. Information-Theoretic Approaches for Evaluating Complex Adaptive Social Simulation Systems

    SciTech Connect

    Omitaomu, Olufemi A; Ganguly, Auroop R; Jiao, Yu

    2009-01-01

    In this paper, we propose information-theoretic approaches for comparing and evaluating complex agent-based models. In information theoretic terms, entropy and mutual information are two measures of system complexity. We used entropy as a measure of the regularity of the number of agents in a social class; and mutual information as a measure of information shared by two social classes. Using our approaches, we compared two analogous agent-based (AB) models developed for regional-scale social-simulation system. The first AB model, called ABM-1, is a complex AB built with 10,000 agents on a desktop environment and used aggregate data; the second AB model, ABM-2, was built with 31 million agents on a highperformance computing framework located at Oak Ridge National Laboratory, and fine-resolution data from the LandScan Global Population Database. The initializations were slightly different, with ABM-1 using samples from a probability distribution and ABM-2 using polling data from Gallop for a deterministic initialization. The geographical and temporal domain was present-day Afghanistan, and the end result was the number of agents with one of three behavioral modes (proinsurgent, neutral, and pro-government) corresponding to the population mindshare. The theories embedded in each model were identical, and the test simulations focused on a test of three leadership theories - legitimacy, coercion, and representative, and two social mobilization theories - social influence and repression. The theories are tied together using the Cobb-Douglas utility function. Based on our results, the hypothesis that performance measures can be developed to compare and contrast AB models appears to be supported. Furthermore, we observed significant bias in the two models. Even so, further tests and investigations are required not only with a wider class of theories and AB models, but also with additional observed or simulated data and more comprehensive performance measures.

  11. Sound propagation in and radiation from acoustically lined flow ducts: A comparison of experiment and theory

    NASA Technical Reports Server (NTRS)

    Plumblee, H. E., Jr.; Dean, P. D.; Wynne, G. A.; Burrin, R. H.

    1973-01-01

    The results of an experimental and theoretical study of many of the fundamental details of sound propagation in hard wall and soft wall annular flow ducts are reported. The theory of sound propagation along such ducts and the theory for determining the complex radiation impedance of higher order modes of an annulus are outlined, and methods for generating acoustic duct modes are developed. The results of a detailed measurement program on propagation in rigid wall annular ducts with and without airflow through the duct are presented. Techniques are described for measuring cut-on frequencies, modal phase speed, and radial and annular mode shapes. The effects of flow velocity on cut-on frequencies and phase speed are measured. Comparisons are made with theoretical predictions for all of the effects studies. The two microphone method of impedance is used to measure the effects of flow on acoustic liners. A numerical study of sound propagation in annular ducts with one or both walls acoustically lined is presented.

  12. Partial Müllerian Duct Retention in Smad4 Conditional Mutant Male Mice.

    PubMed

    Petit, Fabrice G; Deng, Chuxia; Jamin, Soazik P

    2016-01-01

    Müllerian duct regression is a complex process which involves the AMH signalling pathway. We have previously demonstrated that besides AMH and its specific type II receptor (AMHRII), BMPR-IA and Smad5 are two essential factors implicated in this mechanism. Mothers against decapentaplegic homolog 4 (Smad4) is a transcription factor and the common Smad (co-Smad) involved in transforming growth factor beta (TGF-β) signalling pathway superfamily. Since Smad4 null mutants die early during gastrulation, we have inactivated Smad4 in the Müllerian duct mesenchyme. Specific inactivation of Smad4 in the urogenital ridge leads to the partial persistence of the Müllerian duct in adult male mice. Careful examination of the urogenital tract reveals that the Müllerian duct retention is randomly distributed either on one side or both sides. Histological analysis shows a uterus-like structure, which is confirmed by the expression of estrogen receptor α. As previously described in a β-catenin conditional mutant mouse model, β-catenin contributes to Müllerian duct regression. In our mutant male embryos, it appears that β-catenin expression is locally reduced along the urogenital ridge as compared to control mice. Moreover, the expression pattern is similar to those observed in control female mice. This study shows that reduced Smad4 expression disrupts the Wnt/β-catenin signalling leading to the partial persistence of Müllerian duct.

  13. Partial Müllerian Duct Retention in Smad4 Conditional Mutant Male Mice

    PubMed Central

    Petit, Fabrice G.; Deng, Chuxia; Jamin, Soazik P.

    2016-01-01

    Müllerian duct regression is a complex process which involves the AMH signalling pathway. We have previously demonstrated that besides AMH and its specific type II receptor (AMHRII), BMPR-IA and Smad5 are two essential factors implicated in this mechanism. Mothers against decapentaplegic homolog 4 (Smad4) is a transcription factor and the common Smad (co-Smad) involved in transforming growth factor beta (TGF-β) signalling pathway superfamily. Since Smad4 null mutants die early during gastrulation, we have inactivated Smad4 in the Müllerian duct mesenchyme. Specific inactivation of Smad4 in the urogenital ridge leads to the partial persistence of the Müllerian duct in adult male mice. Careful examination of the urogenital tract reveals that the Müllerian duct retention is randomly distributed either on one side or both sides. Histological analysis shows a uterus-like structure, which is confirmed by the expression of estrogen receptor α. As previously described in a β-catenin conditional mutant mouse model, β-catenin contributes to Müllerian duct regression. In our mutant male embryos, it appears that β-catenin expression is locally reduced along the urogenital ridge as compared to control mice. Moreover, the expression pattern is similar to those observed in control female mice. This study shows that reduced Smad4 expression disrupts the Wnt/β-catenin signalling leading to the partial persistence of Müllerian duct. PMID:27194944

  14. Comparison of Different Measurement Techniques and a CFD Simulation in Complex Terrain

    NASA Astrophysics Data System (ADS)

    Schulz, Christoph; Hofsäß, Martin; Anger, Jan; Rautenberg, Alexander; Lutz, Thorsten; Cheng, Po Wen; Bange, Jens

    2016-09-01

    This paper deals with a comparison of data collected by measurements and a simulation for a complex terrain test site in southern Germany. Lidar, met mast, unmanned aerial vehicle (UAV) measurements of wind speed and direction and Computational Fluid Dynamics (CFD) data are compared to each other. The site is characterised regarding its flow features and the suitability for a wind turbine test field. A Delayed-Detached-Eddy- Simulation (DES) was employed using measurement data to generate generic turbulent inflow. A good agreement of the wind profiles between the different approaches was reached. The terrain slope leads to a speed-up, a change of turbulence intensity as well as to flow angle variations.

  15. Linear-algebraic bath transformation for simulating complex open quantum systems

    NASA Astrophysics Data System (ADS)

    Huh, Joonsuk; Mostame, Sarah; Fujita, Takatoshi; Yung, Man-Hong; Aspuru-Guzik, Alán

    2014-12-01

    In studying open quantum systems, the environment is often approximated as a collection of non-interacting harmonic oscillators, a configuration also known as the star-bath model. It is also well known that the star-bath can be transformed into a nearest-neighbor interacting chain of oscillators. The chain-bath model has been widely used in renormalization group approaches. The transformation can be obtained by recursion relations or orthogonal polynomials. Based on a simple linear algebraic approach, we propose a bath partition strategy to reduce the system-bath coupling strength. As a result, the non-interacting star-bath is transformed into a set of weakly coupled multiple parallel chains. The transformed bath model allows complex problems to be practically implemented on quantum simulators, and it can also be employed in various numerical simulations of open quantum dynamics.

  16. Advanced Methodology for Simulation of Complex Flows Using Structured Grid Systems

    NASA Technical Reports Server (NTRS)

    Steinthorsson, Erlendur; Modiano, David

    1995-01-01

    Detailed simulations of viscous flows in complicated geometries pose a significant challenge to current capabilities of Computational Fluid Dynamics (CFD). To enable routine application of CFD to this class of problems, advanced methodologies are required that employ (a) automated grid generation, (b) adaptivity, (c) accurate discretizations and efficient solvers, and (d) advanced software techniques. Each of these ingredients contributes to increased accuracy, efficiency (in terms of human effort and computer time), and/or reliability of CFD software. In the long run, methodologies employing structured grid systems will remain a viable choice for routine simulation of flows in complex geometries only if genuinely automatic grid generation techniques for structured grids can be developed and if adaptivity is employed more routinely. More research in both these areas is urgently needed.

  17. Stress influences decisions to break a safety rule in a complex simulation task in females.

    PubMed

    Starcke, Katrin; Brand, Matthias; Kluge, Annette

    2016-07-01

    The current study examines the effects of acutely induced laboratory stress on a complex decision-making task, the Waste Water Treatment Simulation. Participants are instructed to follow a certain decision rule according to safety guidelines. Violations of this rule are associated with potential high rewards (working faster and earning more money) but also with the risk of a catastrophe (an explosion). Stress was induced with the Trier Social Stress Test while control participants underwent a non-stress condition. In the simulation task, stressed females broke the safety rule more often than unstressed females: χ(2) (1, N=24)=10.36, p<0.001, V=0.66. In males, no difference between stressed and unstressed participants was observed. We conclude that stress increased the decisions to break the safety rule because stressed female participants focused on the potential high gains while they neglected the risk of potential negative consequences. PMID:27155142

  18. Simulated likelihood methods for complex double-platform line transect surveys.

    PubMed

    Schweder, T; Skaug, H J; Langaas, M; Dimakos, X K

    1999-09-01

    The conventional line transect approach of estimating effective search width from the perpendicular distance distribution is inappropriate in certain types of surveys, e.g., when an unknown fraction of the animals on the track line is detected, the animals can be observed only at discrete points in time, there are errors in positional measurements, and covariate heterogeneity exists in detectability. For such situations a hazard probability framework for independent observer surveys is developed. The likelihood of the data, including observed positions of both initial and subsequent observations of animals, is established under the assumption of no measurement errors. To account for measurement errors and possibly other complexities, this likelihood is modified by a function estimated from extensive simulations. This general method of simulated likelihood is explained and the methodology applied to data from a double-platform survey of minke whales in the northeastern Atlantic in 1995. PMID:11314993

  19. Beneficiation of Stillwater Complex Rock for the Production of Lunar Simulants

    NASA Technical Reports Server (NTRS)

    Rickman, D. L.; Young, C.; Stoeser, D.; Edmunson, J.

    2014-01-01

    The availability of pure, high calcium plagioclase would be a significant asset in any attempt to manufacture high-quality lunar simulants. A suitable plagioclase product can be obtained from materials obtained from the Stillwater Complex of Montana. The access, geology, petrology, and mineralogy of the relevant rocks and the mill tailings are described here. This study demonstrates successful plagioclase recovery from mill tailings produced by the Stillwater Mine Company. Hydrogen peroxide was used to remove carboxymethyl cellulose from the tailing. The characteristics of the plagioclase products are shown and locked grains are identified as a limit to achievable purity. Based on the experimental results, flowsheets were developed showing how these resources could be processed and made into 'separates' of (1) high calcium plagioclase and (2) orthopyroxene/clinopyroxene with the thought that they would be combined later to make simulant.

  20. Stress influences decisions to break a safety rule in a complex simulation task in females.

    PubMed

    Starcke, Katrin; Brand, Matthias; Kluge, Annette

    2016-07-01

    The current study examines the effects of acutely induced laboratory stress on a complex decision-making task, the Waste Water Treatment Simulation. Participants are instructed to follow a certain decision rule according to safety guidelines. Violations of this rule are associated with potential high rewards (working faster and earning more money) but also with the risk of a catastrophe (an explosion). Stress was induced with the Trier Social Stress Test while control participants underwent a non-stress condition. In the simulation task, stressed females broke the safety rule more often than unstressed females: χ(2) (1, N=24)=10.36, p<0.001, V=0.66. In males, no difference between stressed and unstressed participants was observed. We conclude that stress increased the decisions to break the safety rule because stressed female participants focused on the potential high gains while they neglected the risk of potential negative consequences.

  1. Activity and stability of a complex bacterial soil community under simulated Martian conditions

    NASA Astrophysics Data System (ADS)

    Hansen, Aviaja Anna; Merrison, Jonathan; Nørnberg, Per; Aagaard Lomstein, Bente; Finster, Kai

    2005-04-01

    A simulation experiment with a complex bacterial soil community in a Mars simulation chamber was performed to determine the effect of Martian conditions on community activity, stability and survival. At three different depths in the soil core short-term effects of Martian conditions with and without ultraviolet (UV) exposure corresponding to 8 Martian Sol were compared. Community metabolic activities and functional diversity, measured as glucose respiration and versatility in substrate utilization, respectively, decreased after UV exposure, whereas they remained unaffected by Martian conditions without UV exposure. In contrast, the numbers of culturable bacteria and the genetic diversity were unaffected by the simulated Martian conditions both with and without UV exposure. The genetic diversity of the soil community and of the colonies grown on agar plates were evaluated by denaturant gradient gel electrophoresis (DGGE) on DNA extracts. Desiccation of the soil prior to experimentation affected the functional diversity by decreasing the versatility in substrate utilization. The natural dominance of endospores and Gram-positive bacteria in the investigated Mars-analogue soil may explain the limited effect of the Mars incubations on the survival and community structure. Our results suggest that UV radiation and desiccation are major selecting factors on bacterial functional diversity in terrestrial bacterial communities incubated under simulated Martian conditions. Furthermore, these results suggest that forward contamination of Mars is a matter of great concern in future space missions.

  2. A mathematical model and a computerized simulation of PCR using complex templates.

    PubMed Central

    Rubin, E; Levy, A A

    1996-01-01

    A mathematical model and a computer simulation were used to study PCR specificity. The model describes the occurrences of non-targeted PCR products formed through random primer-template interactions. The PCR simulation scans DNA sequence databases with primers pairs. According to the model prediction, PCR with complex templates should rarely yield non-targeted products under typical reaction conditions. This is surprising as such products are often amplified in real PCR under conditions optimized for stringency. The causes for this 'PCR paradox' were investigated by comparing the model predictions with simulation results. We found that deviations from randomness in sequences from real genomes could not explain the frequent occurrence of non-targeted products in real PCR. The most likely explanation to the 'PCR paradox' is a relatively high tolerance of PCR to mismatches. The model also predicts that mismatch tolerance has the strongest effect on the number of non-targeted products, followed by primer length, template size and product size limit. The model and the simulation can be utilized for PCR studies, primer design and probing DNA uniqueness and randomness. PMID:8836180

  3. Inviscid and viscous flow modelling of complex aircraft configurations using the CFD simulation system sauna

    NASA Astrophysics Data System (ADS)

    Peace, Andrew J.; May, Nicholas E.; Pocock, Mark F.; Shaw, Jonathon A.

    1994-04-01

    This paper is concerned with the flow modelling capabilities of an advanced CFD simulation system known by the acronym SAUNA. This system is aimed primarily at complex aircraft configurations and possesses a unique grid generation strategy in its use of block-structured, unstructured or hybrid grids, depending on the geometric complexity of the addressed configuration. The main focus of the paper is in demonstrating the recently developed multi-grid, block-structured grid, viscous flow capability of SAUNA, through its evaluation on a number of configurations. Inviscid predictions are also presented, both as a means of interpreting the viscous results and with a view to showing more completely the capabilities of SAUNA. It is shown that accuracy and flexibility are combined in an efficient manner, thus demonstrating the value of SAUNA in aerodynamic design.

  4. Verification of the CFD simulation system SAUNA for complex aircraft configurations

    NASA Astrophysics Data System (ADS)

    Shaw, Jonathon A.; Peace, Andrew J.; May, Nicholas E.; Pocock, Mark F.

    1994-04-01

    This paper is concerned with the verification for complex aircraft configurations of an advanced CFD simulation system known by the acronym SAUNA. A brief description of the complete system is given, including its unique use of differing grid generation strategies (structured, unstructured or both) depending on the geometric complexity of the addressed configuration. The majority of the paper focuses on the application of SAUNA to a variety of configurations from the military aircraft, civil aircraft and missile areas. Mesh generation issues are discussed for each geometry and experimental data are used to assess the accuracy of the inviscid (Euler) model used. It is shown that flexibility and accuracy are combined in an efficient manner, thus demonstrating the value of SAUNA in aerodynamic design.

  5. Cartesian grid simulations of gas-solids flow systems with complex geometry

    SciTech Connect

    Dietiker, Jean-Francois; Li, Tingwen; Garg, Rahul; Shahnam, Mehrdad

    2013-02-01

    Complex geometries encountered in many applications of gas–solids flow need special treatment in most legacy multiphase flow solvers with Cartesian numerical grid. This paper briefly outlines the implementation of a cut cell technique in the open-source multiphase flow solver—MFIX for accurate representation of complex geometries. Specifically, applications of the Cartesian cut cell method to different gas–solids fluidization systems including a small scale bubbling fluidized bed with submerged tube bundle and a complete pilot-scale circulating fluidized bed will be presented. In addition to qualitative predictions on the general flow behaviors inside each system, quantitative comparison with the available experimental data will be presented. Furthermore, some results on extending the current cut-cell technique to Lagrangian–Eulerian simulations will be presented.

  6. Modeling and simulation of complex network attributes on coordinating large multiagent system.

    PubMed

    Xu, Yang; Li, Xiang; Liu, Ming

    2014-01-01

    With the expansion of distributed multiagent systems, traditional coordination strategy becomes a severe bottleneck when the system scales up to hundreds of agents. The key challenge is that in typical large multiagent systems, sparsely distributed agents can only communicate directly with very few others and the network is typically modeled as an adaptive complex network. In this paper, we present simulation testbed CoordSim built to model the coordination of network centric multiagent systems. Based on the token-based strategy, the coordination can be built as a communication decision problem that agents make decisions to target communications and pass them over to the capable agents who will potentially benefit the team most. We have theoretically analyzed that the characters of complex network make a significant difference with both random and intelligent coordination strategies, which may contribute to future multiagent algorithm design. PMID:24955399

  7. Modeling and Simulation of Complex Network Attributes on Coordinating Large Multiagent System

    PubMed Central

    Li, Xiang; Liu, Ming

    2014-01-01

    With the expansion of distributed multiagent systems, traditional coordination strategy becomes a severe bottleneck when the system scales up to hundreds of agents. The key challenge is that in typical large multiagent systems, sparsely distributed agents can only communicate directly with very few others and the network is typically modeled as an adaptive complex network. In this paper, we present simulation testbed CoordSim built to model the coordination of network centric multiagent systems. Based on the token-based strategy, the coordination can be built as a communication decision problem that agents make decisions to target communications and pass them over to the capable agents who will potentially benefit the team most. We have theoretically analyzed that the characters of complex network make a significant difference with both random and intelligent coordination strategies, which may contribute to future multiagent algorithm design. PMID:24955399

  8. How Is Bile Duct Cancer Diagnosed?

    MedlinePlus

    ... line through which a different kind of contrast dye (IV contrast) is injected. This helps better outline ... common bile duct. A small amount of contrast dye is injected through the tube to help outline ...

  9. Spontaneous rupture of the common bile duct.

    PubMed

    Kyzer, S; Bayer, I; Chaimoff, C

    1986-01-01

    Spontaneous rupture of the common bile duct in adults is very rare. The authors report only the 14th case in the Western literature. A 25-year-old woman had signs of peritonitis suggestive of a perforated appendix, but at operation the appendix appeared normal and a large amount of bile was found in the peritoneal cavity. A 2-mm tear was found on the anterior wall of the common bile duct. The patient recovered without complications after T-tube drainage and cholecystectomy. In this patient none of the factors thought to cause spontaneous rupture of the common bile duct were present, so the authors conclude that the case may be classified as idiopathic spontaneous rupture of the common bile duct. PMID:3940592

  10. Rotating Rake Turbofan Duct Mode Measurement System

    NASA Technical Reports Server (NTRS)

    Sutliff, Daniel L.

    2005-01-01

    An experimental measurement system was developed and implemented by the NASA Glenn Research Center in the 1990s to measure turbofan duct acoustic modes. The system is a continuously rotating radial microphone rake that is inserted into the duct. This Rotating Rake provides a complete map of the acoustic duct modes present in a ducted fan and has been used on a variety of test articles: from a low-speed, concept test rig, to a full-scale production turbofan engine. The Rotating Rake has been critical in developing and evaluating a number of noise reduction concepts as well as providing experimental databases for verification of several aero-acoustic codes. More detailed derivation of the unique Rotating Rake equations are presented in the appendix.

  11. Investigation of heat transfer in porous duct

    NASA Astrophysics Data System (ADS)

    Athani, Abdulgaphur; Khan, T. M. Yunus

    2016-05-01

    Investigation of heat transfer in a square porous duct is carried out. The porous medium is sandwiched between inner and outer surface of a square duct. The flow is assumed to follow the Darcy law. The governing momentum and energy equations are non-dimensionalised and then converted to algebraic form of equations using finite element method. Galerkin method is used to transform the partial differential equations into simpler algebraic equations then solved in a iterative manner to arrive at the solution. The results are presented with respect to various geometric and physical parameters such as depth of porous medium, Rayleigh number etc. It is found that the isotherms and the streamlines take symmetrical position along the vertical central line of square duct. The isotherms are penetrated into deeper area at upper half of duct as compared to lower half.

  12. Treatment Options for Extrahepatic Bile Duct Cancer

    MedlinePlus

    ... checked to measure the amounts of bilirubin and alkaline phosphatase released into the blood by the liver. ... which a stent (a thin, flexible tube or metal tube) is placed in the bile duct to ...

  13. Treatment Option Overview (Extrahepatic Bile Duct Cancer)

    MedlinePlus

    ... checked to measure the amounts of bilirubin and alkaline phosphatase released into the blood by the liver. ... which a stent (a thin, flexible tube or metal tube) is placed in the bile duct to ...

  14. Stages of Extrahepatic Bile Duct Cancer

    MedlinePlus

    ... checked to measure the amounts of bilirubin and alkaline phosphatase released into the blood by the liver. ... which a stent (a thin, flexible tube or metal tube) is placed in the bile duct to ...

  15. Bile Duct (Cholangiocarcinoma) Cancer: Radiation Therapy

    MedlinePlus

    ... form of radiation for bile duct cancer. External beam radiation therapy (EBRT) This type of radiation therapy ... determine the correct angles for aiming the radiation beams and the proper dose of radiation. The treatment ...

  16. Solitary wave simulations of Complex Modified Korteweg-de Vries Equation using differential quadrature method

    NASA Astrophysics Data System (ADS)

    Korkmaz, Alper; Dağ, İdris

    2009-09-01

    Complex Modified Korteweg-deVries Equation is solved numerically using differential quadrature method based on cosine expansion. Three test problems, motion of single solitary wave, interaction of solitary waves and wave generation, are simulated. The accuracy of the method is measured via the discrete root mean square error norm L, maximum error norm L for the motion of single solitary wave since it has an analytical solution. A rate of convergency analysis for motion of single solitary wave containing both real and imaginary parts is also given. Lowest three conserved quantities are computed for all test problems. A comparison with some earlier works is given.

  17. Uncertain induction of knowledge based on cloud model in complex system simulation

    NASA Astrophysics Data System (ADS)

    Wang, Hongli

    2011-10-01

    On the key problem of ineffective representation of uncertain variables in complex system simulation, the semi-quantitative method of uncertain variable based on group decision and cloud model is proposed to process the uncertain data. Then the uncertain knowledge induction based on cloud model is proposed. The induction process and method is given in the paper. This method is combined with the merit of conversion and fusion quantitative and qualitative of cloud model in induction. Lastly the summary and future research is given at the end of study.

  18. Implementation of numerical simulation techniques in analysis of the accidents in complex technological systems

    SciTech Connect

    Klishin, G.S.; Seleznev, V.E.; Aleoshin, V.V.

    1997-12-31

    Gas industry enterprises such as main pipelines, compressor gas transfer stations, gas extracting complexes belong to the energy intensive industry. Accidents there can result into the catastrophes and great social, environmental and economic losses. Annually, according to the official data several dozens of large accidents take place at the pipes in the USA and Russia. That is why prevention of the accidents, analysis of the mechanisms of their development and prediction of their possible consequences are acute and important tasks nowadays. The accidents reasons are usually of a complicated character and can be presented as a complex combination of natural, technical and human factors. Mathematical and computer simulations are safe, rather effective and comparatively inexpensive methods of the accident analysis. It makes it possible to analyze different mechanisms of a failure occurrence and development, to assess its consequences and give recommendations to prevent it. Besides investigation of the failure cases, numerical simulation techniques play an important role in the treatment of the diagnostics results of the objects and in further construction of mathematical prognostic simulations of the object behavior in the period of time between two inspections. While solving diagnostics tasks and in the analysis of the failure cases, the techniques of theoretical mechanics, of qualitative theory of different equations, of mechanics of a continuous medium, of chemical macro-kinetics and optimizing techniques are implemented in the Conversion Design Bureau {number_sign}5 (DB{number_sign}5). Both universal and special numerical techniques and software (SW) are being developed in DB{number_sign}5 for solution of such tasks. Almost all of them are calibrated on the calculations of the simulated and full-scale experiments performed at the VNIIEF and MINATOM testing sites. It is worth noting that in the long years of work there has been established a fruitful and effective

  19. Single Mode Theory for Impedance Eduction in Large-Scale Ducts with Grazing Flow

    NASA Technical Reports Server (NTRS)

    Watson, Willie R.; Gerhold, Carl H.; Jones, Michael G.; June, Jason C.

    2014-01-01

    An impedance eduction theory for a rigid wall duct containing an acoustic liner with an unknown impedance and uniform grazing flow is presented. The unique features of the theory are: 1) non-planar waves propagate in the hard wall sections of the duct, 2) input data consist solely of complex acoustic pressures acquired on a wall adjacent to the liner, and 3) multiple higher-order modes may exist in the direction perpendicular to the liner and the opposite rigid wall. The approach is to first measure the axial propagation constant of a dominant higher-order mode in the liner sample section. This axial propagation constant is then used in conjunction with a closed-form solution to a reduced form of the convected Helmholtz equation and the wall impedance boundary condition to educe the liner impedance. The theory is validated on a conventional liner whose impedance spectrum is educed in two flow ducts with different cross sections. For the frequencies and Mach numbers of interest, no higher-order modes propagate in the hard wall sections of the smaller duct. A benchmark method is used to educe the impedance spectrum in this duct. A dominant higher-order vertical mode propagates in the larger duct for similar test conditions, and the current theory is applied to educe the impedance spectrum. Results show that when the theory is applied to data acquired in the larger duct with a dominant higher-order vertical mode, the same impedance spectra is educed as that obtained in the small duct where only the plane wave mode is present and the benchmark method is used. This result holds for each higher-order vertical mode that is considered.

  20. INTERIOR DUCT SYSTEM DESIGN, CONSTRUCTION, AND PERFORMANCE

    SciTech Connect

    Janet E.R. Mcllvaine; David Beal; Philip Fairey

    2001-10-10

    By removing air distribution and conditioning equipment from unconditioned spaces, homeowners stand to benefit substantially with respect to both energy savings and indoor air quality. Duct leakage introduces: Greater heating and cooling loads from air at extreme temperatures and humidity levels; Outside air and air from unconditioned spaces that may contain air borne contaminants, combustion gases, pollen, mold spores, and/or particles of building materials; and Higher whole-house infiltration/exfiltration rates. Exemplary studies conducted since 1990 have demonstrated the prevalence of duct leakage throughout the United States and measured energy savings of approximately 20% during both heating and cooling seasons from leakage reduction. These all dealt with duct leakage to and/or from unconditioned spaces. In the building science community, leakage within the conditioned space is generally presumed to eliminate the negative consequences of duct leakage with the exception of possibly creating pressure imbalances in the house which relates to higher infiltration and/or exfiltration. The practical challenges of isolating ducts and air handlers from unconditioned spaces require builders to construct an air-tight environment for the ducts. Florida Solar Energy Center researchers worked with four builders in Texas, North Carolina, and Florida who build a furred-down chase located either in a central hallway or at the edges of rooms as an architectural detail. Some comparison homes with duct systems in attics and crawl spaces were included in the test group of more than 20 homes. Test data reveals that all of the duct/AHU systems built inside the conditioned space had lower duct leakage to unconditioned spaces than their conventional counterparts; however, none of the homes was completely free of duct leakage to unconditioned spaces. Common problems included wiring and plumbing penetrations of the chase, failure to treat the chase as an air tight space, and misguided

  1. Free energy landscape of the Michaelis complex of lactate dehydrogenase: A network analysis of atomistic simulations

    NASA Astrophysics Data System (ADS)

    Pan, Xiaoliang; Schwartz, Steven

    2015-03-01

    It has long been recognized that the structure of a protein is a hierarchy of conformations interconverting on multiple time scales. However, the conformational heterogeneity is rarely considered in the context of enzymatic catalysis in which the reactant is usually represented by a single conformation of the enzyme/substrate complex. Lactate dehydrogenase (LDH) catalyzes the interconversion of pyruvate and lactate with concomitant interconversion of two forms of the cofactor nicotinamide adenine dinucleotide (NADH and NAD+). Recent experimental results suggest that multiple substates exist within the Michaelis complex of LDH, and they are catalytic competent at different reaction rates. In this study, millisecond-scale all-atom molecular dynamics simulations were performed on LDH to explore the free energy landscape of the Michaelis complex, and network analysis was used to characterize the distribution of the conformations. Our results provide a detailed view of the kinetic network the Michaelis complex and the structures of the substates at atomistic scale. It also shed some light on understanding the complete picture of the catalytic mechanism of LDH.

  2. Replica exchange Monte Carlo simulation of human serum albumin-catechin complexes.

    PubMed

    Li, Yunqi; An, Lijia; Huang, Qingrong

    2014-09-01

    Replica exchange Monte Carlo simulation equipped with an orientation-enhanced hydrophobic interaction was utilized to study the impacts of molar ratio and ionic strength on the complex formation of human serum albumin (HSA) and catechin. Only a small amount of catechins was found to act as bridges in the formation of HSA-catechin complexes. Selective binding behavior was observed at low catechin to HSA molar ratio (R). Increase of catechin amount can suppress HSA self-aggregation and diminish the selectivity of protein binding sites. Strong saturation binding with short-range interactions was found to level off at around 4.6 catechins per HSA on average, while this number slowly increased with R when long-range interactions were taken into account. Meanwhile, among the three rings of catechin, the 3,4-dihydroxyphenyl (B-ring) shows the strongest preference to bind HSA. Neither the aggregation nor the binding sites of the HSA-catechin complex was sensitive to ionic strength, suggesting that the electrostatic interaction is not a dominant force in such complexes. These results provide a further molecular level understanding of protein-polyphenol binding, and the strategy employed in this work shows a way to bridge phase behaviors at macroscale and the distribution of binding sites at residue level. PMID:25111890

  3. Transition duct assembly with modified trailing edge in turbine system

    DOEpatents

    McMahan, Kevin Weston; Schott, Carl Gerard; Ingram, Clint Luigie; Siden, Gunnar Leif; Pierre, Sylvain

    2016-10-04

    Transition duct assemblies for turbine systems and turbomachines are provided. In one embodiment, a transition duct assembly includes a plurality of transition ducts disposed in a generally annular array and comprising a first transition duct and a second transition duct. Each of the plurality of transition ducts includes an inlet, an outlet, and a passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of each transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The transition duct assembly further includes an aerodynamic structure defined by the passages of the first transition duct and the second transition duct. The aerodynamic structure includes a pressure side, a suction side, and a trailing edge, the trailing edge having a modified aerodynamic contour.

  4. Dissociation of a Dynamic Protein Complex Studied by All-Atom Molecular Simulations.

    PubMed

    Zhang, Liqun; Borthakur, Susmita; Buck, Matthias

    2016-02-23

    The process of protein complex dissociation remains to be understood at the atomic level of detail. Computers now allow microsecond timescale molecular-dynamics simulations, which make the visualization of such processes possible. Here, we investigated the dissociation process of the EphA2-SHIP2 SAM-SAM domain heterodimer complex using unrestrained all-atom molecular-dynamics simulations. Previous studies on this system have shown that alternate configurations are sampled, that their interconversion can be fast, and that the complex is dynamic by nature. Starting from different NMR-derived structures, mutants were designed to stabilize a subset of configurations by swapping ion pairs across the protein-protein interface. We focused on two mutants, K956D/D1235K and R957D/D1223R, with attenuated binding affinity compared with the wild-type proteins. In contrast to calculations on the wild-type complexes, the majority of simulations of these mutants showed protein dissociation within 2.4 μs. During the separation process, we observed domain rotation and pivoting as well as a translation and simultaneous rolling, typically to alternate and weaker binding interfaces. Several unsuccessful recapturing attempts occurred once the domains were moderately separated. An analysis of protein solvation suggests that the dissociation process correlates with a progressive loss of protein-protein contacts. Furthermore, an evaluation of internal protein dynamics using quasi-harmonic and order parameter analyses indicates that changes in protein internal motions are expected to contribute significantly to the thermodynamics of protein dissociation. Considering protein association as the reverse of the separation process, the initial role of charged/polar interactions is emphasized, followed by changes in protein and solvent dynamics. The trajectories show that protein separation does not follow a single distinct pathway, but suggest that the mechanism of dissociation is common in

  5. [Extracorporeal shockwave lithotripsy of bile duct calculi].

    PubMed

    Greiner, L; Jakobeit, C

    1993-08-01

    Shockwave therapy of bile duct stones is not dependent on difficult preconditions concerning stone-volume and -composition or subsequent lythic therapy. Its main indication is failure of endoscopic sphincterotomy (EST). Shockwave lithotripsy of bile duct stones--which may even be carried out even instead of EST in specific cases--is with a success rate of 80 to 95% as effective as shockwave lithotripsy in urology.

  6. Measurement of insertion loss of ducted silencers

    NASA Astrophysics Data System (ADS)

    Iho, L.; Jonasson, H.

    1980-05-01

    Measurements were carried out with different sound sources, with and without terminating transmission element, with and without vibration isolation, with different duct lengths and with different transition elements at different positions. Testing was done in the 1/3 octave band in a reverberation room. The Based on the conclusions, a revised method for measuring the transmission loss of ducted silencers without air flow is proposed.

  7. Fundamental investigation of duct/ESP phenomena

    SciTech Connect

    Durham, M.D.; Ebner, T.G.; Holstein, D.B.

    1991-03-07

    This report describes the results of pilot plant tests to characterize the performance of an electrostatic precipitation (ESP) operating downstream of an in-duct scrubbing system. The test program was conducted at a 1.7 MW duct injection/ESP pilot plant that was located at the Central Illinois Public Service Company's Meredosia Station. The pilot plant was installed during the summer of 1989 and testing was conducted from September, 1989 to October, 1990. In addition to the tests to characterize the ESPs, a parametric evaluation of sulfur dioxide removal by duct sorbent injection was conducted concurrently. Another aspect of this program related to ESP performance was the development of a mathematical model to predict ESP performance at duct injection conditions. Air load and gas load tests were conducted to demonstrate that the ESP was functioning properly. The ESP was then evaluated at flyash conditions to establish baseline operation. A series of tests were than conducted at duct injection conditions. Different humidification configurations were investigated and both lime only and lime with recycle injection were tested. A final set of tests were directed at evaluating different ESP upgrade technologies that could improve performance under duct injection conditions. In addition to the Meredosia pilot plant tests, tests were conducted to characterize the performance of the ESP operating as part of the demonstration of the Coolside Process at the Edgewater plant in Lorrain, Ohio. 41 refs., 97 figs., 43 tabs.

  8. Sound radiation from a flanged inclined duct.

    PubMed

    McAlpine, Alan; Daymond-King, Alex P; Kempton, Andrew J

    2012-12-01

    A simple method to calculate sound radiation from a flanged inclined duct is presented. An inclined annular duct is terminated by a rigid vertical plane. The duct termination is representative of a scarfed exit. The concept of a scarfed duct has been examined in turbofan aero-engines as a means to, potentially, shield a portion of the radiated sound from being transmitted directly to the ground. The sound field inside the annular duct is expressed in terms of spinning modes. Exterior to the duct, the radiated sound field owing to each mode can be expressed in terms of its directivity pattern, which is found by evaluating an appropriate form of Rayleigh's integral. The asymmetry is shown to affect the amplitude of the principal lobe of the directivity pattern, and to alter the proportion of the sound power radiated up or down. The methodology detailed in this article provides a simple engineering approach to investigate the sound radiation for a three-dimensional problem.

  9. Theoretical Simulations and Ultrafast Pump-probe Spectroscopy Experiments in Pigment-protein Photosynthetic Complexes

    SciTech Connect

    Buck, D.R.

    2000-09-12

    Theoretical simulations and ultrafast pump-probe laser spectroscopy experiments were used to study photosynthetic pigment-protein complexes and antennae found in green sulfur bacteria such as Prosthecochloris aestuarii, Chloroflexus aurantiacus, and Chlorobium tepidum. The work focused on understanding structure-function relationships in energy transfer processes in these complexes through experiments and trying to model that data as we tested our theoretical assumptions with calculations. Theoretical exciton calculations on tubular pigment aggregates yield electronic absorption spectra that are superimpositions of linear J-aggregate spectra. The electronic spectroscopy of BChl c/d/e antennae in light harvesting chlorosomes from Chloroflexus aurantiacus differs considerably from J-aggregate spectra. Strong symmetry breaking is needed if we hope to simulate the absorption spectra of the BChl c antenna. The theory for simulating absorption difference spectra in strongly coupled photosynthetic antenna is described, first for a relatively simple heterodimer, then for the general N-pigment system. The theory is applied to the Fenna-Matthews-Olson (FMO) BChl a protein trimers from Prosthecochloris aestuarii and then compared with experimental low-temperature absorption difference spectra of FMO trimers from Chlorobium tepidum. Circular dichroism spectra of the FMO trimer are unusually sensitive to diagonal energy disorder. Substantial differences occur between CD spectra in exciton simulations performed with and without realistic inhomogeneous distribution functions for the input pigment diagonal energies. Anisotropic absorption difference spectroscopy measurements are less consistent with 21-pigment trimer simulations than 7-pigment monomer simulations which assume that the laser-prepared states are localized within a subunit of the trimer. Experimental anisotropies from real samples likely arise from statistical averaging over states with diagonal energies shifted by

  10. Intraductal carcinoma of the prostate in the ejaculatory duct.

    PubMed

    Sanchez-Salazar, Alma J; Basler, Joseph W; Nicolas, Marlo M

    2010-08-01

    Intraductal carcinoma of the prostate (IDCP) involving prostatic ducts and acini is a well-known phenomenon typically seen in a background of high-grade invasive prostatic adenocarcinoma. The current case of prostatic adenocarcinoma with Gleason score of 9 (4 + 5) invades the ejaculatory ducts, left seminal vesicle, and extraprostatic tissue. The tumor involving the left ejaculatory duct spans the lumen with preservation of native duct architecture, including basal cells, similar features described in IDCP involving prostatic ducts and acini. PMID:20444733

  11. Numerical simulation of acoustofluidic manipulation by radiation forces and acoustic streaming for complex particles.

    PubMed

    Hahn, Philipp; Leibacher, Ivo; Baasch, Thierry; Dual, Jurg

    2015-11-21

    The numerical prediction of acoustofluidic particle motion is of great help for the design, the analysis, and the physical understanding of acoustofluidic devices as it allows for a simple and direct comparison with experimental observations. However, such a numerical setup requires detailed modeling of the acoustofluidic device with all its components and thorough understanding of the acoustofluidic forces inducing the particle motion. In this work, we present a 3D trajectory simulation setup that covers the full spectrum, comprising a time-harmonic device model, an acoustic streaming model of the fluid cavity, a radiation force simulation, and the calculation of the hydrodynamic drag. In order to make quantitatively accurate predictions of the device vibration and the acoustic field, we include the viscous boundary layer damping. Using a semi-analytical method based on Nyborg's calculations, the boundary-driven acoustic streaming is derived directly from the device simulation and takes into account cavity wall vibrations which have often been neglected in the literature. The acoustic radiation forces and the hydrodynamic drag are calculated numerically to handle particles of arbitrary shape, structure, and size. In this way, complex 3D particle translation and rotation inside experimental microdevices can be predicted. We simulate the rotation of a microfiber in an amplitude-modulated 2D field and analyze the results with respect to experimental observations. For a quantitative verification, the motion of an alumina microdisk is compared to a simple experiment. Demonstrating the potential of the simulation setup, we compute the trajectory of a red blood cell inside a realistic microdevice under the simultaneous effects of acoustic streaming and radiation forces. PMID:26448531

  12. Multi-scale simulation of structural heterogeneity of swift-heavy ion tracks in complex oxides.

    PubMed

    Wang, Jianwei; Lang, Maik; Ewing, Rodney C; Becker, Udo

    2013-04-01

    Tracks formed by swift-heavy ion irradiation, 2.2 GeV Au, of isometric Gd2Ti2O7 pyrochlore and orthorhombic Gd2TiO5 were modeled using the thermal-spike model combined with a molecular-dynamics simulation. The thermal-spike model was used to calculate the energy dissipation over time and space. Using the time, space, and energy profile generated from the thermal-spike model, the molecular-dynamics simulations were performed to model the atomic-scale evolution of the tracks. The advantage of the combination of these two methods, which uses the output from the continuum model as an input for the atomistic model, is that it provides a means of simulating the coupling of the electronic and atomic subsystems and provides simultaneously atomic-scale detail of the track structure and morphology. The simulated internal structure of the track consists of an amorphous core and a shell of disordered, but still periodic, domains. For Gd2Ti2O7, the shell region has a disordered pyrochlore with a defect fluorite structure and is relatively thick and heterogeneous with different degrees of disordering. For Gd2TiO5, the disordered region is relatively small as compared with Gd2Ti2O7. In the simulation, 'facets', which are surfaces with definite crystallographic orientations, are apparent around the amorphous core and more evident in Gd2TiO5 along [010] than [001], suggesting an orientational dependence of the radiation response. These results show that track formation is controlled by the coupling of several complex processes, involving different degrees of amorphization, disordering, and dynamic annealing. Each of the processes depends on the mass and energy of the energetic ion, the properties of the material, and its crystallographic orientation with respect to the incident ion beam.

  13. Multi-scale simulation of structural heterogeneity of swift-heavy ion tracks in complex oxides

    NASA Astrophysics Data System (ADS)

    Wang, Jianwei; Lang, Maik; Ewing, Rodney C.; Becker, Udo

    2013-04-01

    Tracks formed by swift-heavy ion irradiation, 2.2 GeV Au, of isometric Gd2Ti2O7 pyrochlore and orthorhombic Gd2TiO5 were modeled using the thermal-spike model combined with a molecular-dynamics simulation. The thermal-spike model was used to calculate the energy dissipation over time and space. Using the time, space, and energy profile generated from the thermal-spike model, the molecular-dynamics simulations were performed to model the atomic-scale evolution of the tracks. The advantage of the combination of these two methods, which uses the output from the continuum model as an input for the atomistic model, is that it provides a means of simulating the coupling of the electronic and atomic subsystems and provides simultaneously atomic-scale detail of the track structure and morphology. The simulated internal structure of the track consists of an amorphous core and a shell of disordered, but still periodic, domains. For Gd2Ti2O7, the shell region has a disordered pyrochlore with a defect fluorite structure and is relatively thick and heterogeneous with different degrees of disordering. For Gd2TiO5, the disordered region is relatively small as compared with Gd2Ti2O7. In the simulation, ‘facets’, which are surfaces with definite crystallographic orientations, are apparent around the amorphous core and more evident in Gd2TiO5 along [010] than [001], suggesting an orientational dependence of the radiation response. These results show that track formation is controlled by the coupling of several complex processes, involving different degrees of amorphization, disordering, and dynamic annealing. Each of the processes depends on the mass and energy of the energetic ion, the properties of the material, and its crystallographic orientation with respect to the incident ion beam.

  14. Mental simulation of drawing actions enhances delayed recall of a complex figure.

    PubMed

    De Lucia, Natascia; Trojano, Luigi; Senese, Vincenzo Paolo; Conson, Massimiliano

    2016-10-01

    Motor simulation implies that the same motor representations involved in action execution are re-enacted during observation or imagery of actions. Neurofunctional data suggested that observation of letters or abstract paintings can elicit simulation of writing or drawing gestures. We performed four behavioural experiments on right-handed healthy participants to test whether observation of a static and complex geometrical figure implies re-enactment of drawing actions. In Experiment 1, participants had to observe the stimulus without explicit instruction (observation-only condition), while performing irrelevant finger tapping (motor dual task), or while articulating irrelevant verbal material (verbal dual task). Delayed drawing of the stimulus was less accurate in the motor dual-task (interfering with simulation of hand actions) than in verbal dual-task and observation-only conditions. In Experiment 2, delayed drawing in the observation only was as accurate as when participants encoded the stimulus by copying it; in both conditions, accuracy was higher than when participants were instructed to observe the stimulus to recall it later verbally (observe to recall), thus being discouraged from engaging motor simulation. In Experiment 3, delayed drawing was as accurate in the observation-only condition as when participants imagined copying the stimulus; accuracy in both conditions was higher than in the observe-to-recall condition. In Experiment 4, in the observe-only condition participants who observed the stimulus with their right arm hidden behind their back were significantly less accurate than participants who had their left arm hidden. These findings converge in suggesting that mere observation of a geometrical stimulus can activate motor simulation and re-enactment of drawing actions.

  15. Numerical simulation of acoustofluidic manipulation by radiation forces and acoustic streaming for complex particles.

    PubMed

    Hahn, Philipp; Leibacher, Ivo; Baasch, Thierry; Dual, Jurg

    2015-11-21

    The numerical prediction of acoustofluidic particle motion is of great help for the design, the analysis, and the physical understanding of acoustofluidic devices as it allows for a simple and direct comparison with experimental observations. However, such a numerical setup requires detailed modeling of the acoustofluidic device with all its components and thorough understanding of the acoustofluidic forces inducing the particle motion. In this work, we present a 3D trajectory simulation setup that covers the full spectrum, comprising a time-harmonic device model, an acoustic streaming model of the fluid cavity, a radiation force simulation, and the calculation of the hydrodynamic drag. In order to make quantitatively accurate predictions of the device vibration and the acoustic field, we include the viscous boundary layer damping. Using a semi-analytical method based on Nyborg's calculations, the boundary-driven acoustic streaming is derived directly from the device simulation and takes into account cavity wall vibrations which have often been neglected in the literature. The acoustic radiation forces and the hydrodynamic drag are calculated numerically to handle particles of arbitrary shape, structure, and size. In this way, complex 3D particle translation and rotation inside experimental microdevices can be predicted. We simulate the rotation of a microfiber in an amplitude-modulated 2D field and analyze the results with respect to experimental observations. For a quantitative verification, the motion of an alumina microdisk is compared to a simple experiment. Demonstrating the potential of the simulation setup, we compute the trajectory of a red blood cell inside a realistic microdevice under the simultaneous effects of acoustic streaming and radiation forces.

  16. Mental simulation of drawing actions enhances delayed recall of a complex figure.

    PubMed

    De Lucia, Natascia; Trojano, Luigi; Senese, Vincenzo Paolo; Conson, Massimiliano

    2016-10-01

    Motor simulation implies that the same motor representations involved in action execution are re-enacted during observation or imagery of actions. Neurofunctional data suggested that observation of letters or abstract paintings can elicit simulation of writing or drawing gestures. We performed four behavioural experiments on right-handed healthy participants to test whether observation of a static and complex geometrical figure implies re-enactment of drawing actions. In Experiment 1, participants had to observe the stimulus without explicit instruction (observation-only condition), while performing irrelevant finger tapping (motor dual task), or while articulating irrelevant verbal material (verbal dual task). Delayed drawing of the stimulus was less accurate in the motor dual-task (interfering with simulation of hand actions) than in verbal dual-task and observation-only conditions. In Experiment 2, delayed drawing in the observation only was as accurate as when participants encoded the stimulus by copying it; in both conditions, accuracy was higher than when participants were instructed to observe the stimulus to recall it later verbally (observe to recall), thus being discouraged from engaging motor simulation. In Experiment 3, delayed drawing was as accurate in the observation-only condition as when participants imagined copying the stimulus; accuracy in both conditions was higher than in the observe-to-recall condition. In Experiment 4, in the observe-only condition participants who observed the stimulus with their right arm hidden behind their back were significantly less accurate than participants who had their left arm hidden. These findings converge in suggesting that mere observation of a geometrical stimulus can activate motor simulation and re-enactment of drawing actions. PMID:27324085

  17. Cationic complexation with dissolved organic matter: Insights from molecular dynamics computer simulations and NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kalinichev, A. G.; Xu, X.; Kirkpatrick, R.

    2006-12-01

    Dissolved organic matter (DOM) is ubiquitous in soil and surface water and plays many important geochemical and environmental roles acting as a proton donor/acceptor and pH buffer and interacting with metal ions, minerals and organic species to form water-soluble and water-insoluble complexes of widely differing chemical and biological stabilities. There are strong correlations among the concentration of DOM and the speciation, solubility and toxicity of many trace metals in soil and water due to metal-DOM interaction. DOM can also significantly negatively affect the performance of nanofiltration and reverse osmosis membranes used industrially for water purification and desalination, being one of the major causes of a so-called `membrane bio- fouling'. The molecular scale mechanisms and dynamics of the DOM interactions with metals and membranes are, however, quite poorly understood. Methods of computational molecular modeling, combined with element- specific nuclear magnetic resonance (NMR) spectroscopy, can serve as highly effective tools to probe and quantify on a fundamental molecular level the DOM interactions with metal cations in aqueous solutions, and to develop predictive models of the molecular mechanisms responsible for the metal-DOM complexation in the environment. This paper presents the results of molecular dynamics (MD) computer simulations of the interaction of DOM with dissolved Na+, Cs+, Mg2+, and Ca2+. Na+ forms only very weak outer-sphere complexes with DOM. These results and the results of other recent molecular modeling efforts (e.g., Sutton et al., Environmental Toxicology and Chemistry, 24, 1902-1911, 2005), clearly indicate that both the structural and dynamic aspects of the cation-DOM complexation follow a simple trend in terms of the charge/size ratio for the ions. Due to the competition between ion hydration in bulk aqueous solution and adsorption of these cations by the negatively charged DOM functional groups (primarily carboxylate

  18. Computational Fluid Dynamics Analysis of Flexible Duct Junction Box Design

    SciTech Connect

    Beach, Robert; Prahl, Duncan; Lange, Rich

    2013-12-01

    IBACOS explored the relationships between pressure and physical configurations of flexible duct junction boxes by using computational fluid dynamics (CFD) simulations to predict individual box parameters and total system pressure, thereby ensuring improved HVAC performance. Current Air Conditioning Contractors of America (ACCA) guidance (Group 11, Appendix 3, ACCA Manual D, Rutkowski 2009) allows for unconstrained variation in the number of takeoffs, box sizes, and takeoff locations. The only variables currently used in selecting an equivalent length (EL) are velocity of air in the duct and friction rate, given the first takeoff is located at least twice its diameter away from the inlet. This condition does not account for other factors impacting pressure loss across these types of fittings. For each simulation, the IBACOS team converted pressure loss within a box to an EL to compare variation in ACCA Manual D guidance to the simulated variation. IBACOS chose cases to represent flows reasonably correlating to flows typically encountered in the field and analyzed differences in total pressure due to increases in number and location of takeoffs, box dimensions, and velocity of air, and whether an entrance fitting is included. The team also calculated additional balancing losses for all cases due to discrepancies between intended outlet flows and natural flow splits created by the fitting. In certain asymmetrical cases, the balancing losses were significantly higher than symmetrical cases where the natural splits were close to the targets. Thus, IBACOS has shown additional design constraints that can ensure better system performance.

  19. Automated Builder and Database of Protein/Membrane Complexes for Molecular Dynamics Simulations

    PubMed Central

    Jo, Sunhwan; Kim, Taehoon; Im, Wonpil

    2007-01-01

    Molecular dynamics simulations of membrane proteins have provided deeper insights into their functions and interactions with surrounding environments at the atomic level. However, compared to solvation of globular proteins, building a realistic protein/membrane complex is still challenging and requires considerable experience with simulation software. Membrane Builder in the CHARMM-GUI website (http://www.charmm-gui.org) helps users to build such a complex system using a web browser with a graphical user interface. Through a generalized and automated building process including system size determination as well as generation of lipid bilayer, pore water, bulk water, and ions, a realistic membrane system with virtually any kinds and shapes of membrane proteins can be generated in 5 minutes to 2 hours depending on the system size. Default values that were elaborated and tested extensively are given in each step to provide reasonable options and starting points for both non-expert and expert users. The efficacy of Membrane Builder is illustrated by its applications to 12 transmembrane and 3 interfacial membrane proteins, whose fully equilibrated systems with three different types of lipid molecules (DMPC, DPPC, and POPC) and two types of system shapes (rectangular and hexagonal) are freely available on the CHARMM-GUI website. One of the most significant advantages of using the web environment is that, if a problem is found, users can go back and re-generate the whole system again before quitting the browser. Therefore, Membrane Builder provides the intuitive and easy way to build and simulate the biologically important membrane system. PMID:17849009

  20. The Influence of Model Complexity on the Impact Response of a Shuttle Leading-Edge Panel Finite Element Simulation

    NASA Technical Reports Server (NTRS)

    Jones, Lisa E. (Technical Monitor); Stockwell, Alan E.

    2005-01-01

    LS-DYNA simulations were conducted to study the influence of model complexity on the response of a typical Reinforced Carbon-Carbon (RCC) panel to a foam impact at a location approximately midway between the ribs. A structural model comprised of Panels 10, 11, and TSeal 11 was chosen as the baseline model for the study. A simulation was conducted with foam striking Panel 10 at Location 4 at an alpha angle of 10 degrees, with an impact velocity of 1000 ft/sec. A second simulation was conducted after removing Panel 11 from the model, and a third simulation was conducted after removing both Panel 11 and T-Seal 11. All three simulations showed approximately the same response for Panel 10, and the simplified simulation model containing only Panel 10 was shown to be significantly less expensive to execute than the other two more complex models.

  1. Coarse-grained simulations of vortex dynamics and transition in complex high-Re flows

    SciTech Connect

    Grinstein, Fernando F

    2011-01-21

    Turbulent flow complexity in applications in engineering, geophysics and astrophysics typically requires achieving accurate and dependable large scale predictions of highly nonlinear processes with under-resolved computer simulation models. Laboratory observations typically demonstrate the end outcome of complex non-linear three-dimensional physical processes with many unexplained details and mechanisms. Carefully controlled computational experiments based on the numerical solution of the conservation equations for mass, momentum, and energy, provide insights into the underlying flow dynamics. Relevant computational fluid dynamics issues to be addressed relate to the modeling of the unresolved tlow conditions at the subgrid scale (SGS) level - within a computational cell, and at the supergrid (SPG) scale - at initialization and beyond computational boundaries. SGS and SPG information must be prescribed for closure of the equations solved numerically. SGS models appear explicitly or implicitly as additional source tenns in the modified flow equations solved by the numerical solutions being calculated, while SPG models provide the necessary set of initial and boundary conditions that must be prescribed to ensure unique well-posed solutions. From this perspective, it is clear that the simulation process is inherently determined by the SGS and SPG information prescription process. On the other hand, observables in laboratory experiments are always characterized by the finite scales of the instrumental resolution of measuring/visualizing devices, and subject as well to SPG issues. It is thus important to recognize the inherently intrusive nature of observations based on numerical or laboratory experiments. Ultimately, verification and validation (V & V) frameworks and appropriate metrics for the specific problems at hand are needed to establish predictability of the simulation model. Direct numerical simulation (DNS) - resolving all relevant space/time scales, is

  2. Classical molecular simulations of complex industrially-important systems on the Intel Paragon

    SciTech Connect

    Cochran, H.D.; LoCascio, P.F.; Cummings, P.T.

    1996-06-01

    Advances in parallel supercomputing now make possible molecular-based engineering and science calculations that will soon revolutionize many technologies, such as those involving polymers and those involving aqueous electrolytes. We have developed a suite of message-passing codes for classical molecular simulation of such complex fluids and amorphous materials and have completed a number of demonstration calculations of problems of scientific and technological importance with each. In this overview paper we will outline the techniques for classical molecular simulation of these industrially-important systems on the Inter Paragon and we will summarize some of the important scientific and technical results of the varied applications, including the following: (1) Parallel codes for quatemion dynamics using techniques for handling long-range Coulombic forces allow study of ion pairing in supercritical aqueous electrolyte solutions. Ion pairing lies at the heart of technological problems with corrosion and solids deposition in industrial processes utilizing high temperature water. (2) Non-equilibrium, multiple time step molecular dynamics lets us investigate the rheology of molecular fluids. Such calculations enable the molecular-based design of new synthetic lubricants of importance in the automotive engines of the future. (3) Chain molecule Monte Carlo simulations in the Gibbs ensemble now permit calculation of phase equilibrium of long-chain molecular systems. With complementary equilibrium molecular dynamics (with multiple time steps) we have been able to gain fundamental insight into the technologically-important problem of liquid-liquid phase separation in polymer blends.

  3. Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory.

    PubMed

    Das, Gayatri; Gnan, Nicoletta; Sciortino, Francesco; Zaccarelli, Emanuela

    2013-04-01

    We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the square shoulder model, a purely repulsive potential where the hardcore is complemented by a finite shoulder. For the one-component version of this model, MCT predicted [Sperl et al., Phys. Rev. Lett. 104, 145701 (2010)] the presence of diffusion anomalies both upon cooling and upon compression and the occurrence of glass-glass transitions. In the simulations, we focus on a non-crystallising binary mixture, which, at the investigated shoulder width, shows a non-monotonic behaviour of the diffusion upon cooling but not upon isothermal compression. In addition, we find the presence of a disconnected glass-glass line in the phase diagram, ending in two higher order singularities. These points generate a logarithmic dependence of the density correlators as well as a subdiffusive behaviour of the mean squared displacement, although with the interference of the nearby liquid-glass transition. We also perform novel MCT calculations using as input the partial structure factors obtained within MD, confirming the simulation results. The presence of two hard sphere glasses, differing only in their hardcore length, is revealed, showing that the simple competition between the two is sufficient for creating a rather complex dynamical behaviour. PMID:23574238

  4. Low Reynolds turbulence model CFD simulation for complex electronic system: an industrial point of view

    NASA Astrophysics Data System (ADS)

    Giannuzzi, M.

    2014-07-01

    In electronic systems the presence of bluff bodies, sharp corners and bends are the cause of flow separation and large recirculation bubbles. Since the recirculation vortices develop they encapsulate the heat from an electronic component becoming one of the major contributors of malfunction. Going in depth in this, some numerical simulations of conjugate heat transfer for a heat wall-mounted cube have been performed using the commercial CFD code scSTREAM V11 by Software Cradle Co, Ltd. It is well known that the reliability of CFD analysis depends heavily on the turbulent model employed together with the wall functions implemented. The three low- Reynolds k - epsilon turbulent models developed by Abe-Nagano-Kondoh have been validated against experimental data consisting mainly of velocity profiles and surface temperature distributions provided in literature. The performed validation shows a satisfactory agreement between the measured and simulated data. The turbulent model chosen is then used for the CFD simulation of a complex electronic system.

  5. In-flight simulation of high agility through active control: Taming complexity by design

    NASA Technical Reports Server (NTRS)

    Padfield, Gareth D.; Bradley, Roy

    1993-01-01

    The motivation for research into helicopter agility stems from the realization that marked improvements relative to current operational types are possible, yet there is a dearth of useful criteria for flying qualities at high performance levels. Several research laboratories are currently investing resources in developing second generation airborne rotorcraft simulators. The UK's focus has been the exploitation of agility through active control technology (ACT); this paper reviews the results of studies conducted to date. The conflict between safety and performance in flight research is highlighted and the various forms of safety net to protect against system failures are described. The role of the safety pilot, and the use of actuator and flight envelope limiting are discussed. It is argued that the deep complexity of a research ACT system can only be tamed through a requirement specification assembled using design principles and cast in an operational simulation form. Work along these lines conducted at DRA is described, including the use of the Jackson System Development method and associated Ada simulation.

  6. Monte Carlo Simulation Of Contaminant Transport To And Deposition On Complex Spacecraft Surfaces

    NASA Astrophysics Data System (ADS)

    Phillips, Jon R.; Fong, Michael C.; Panczak, T. D.

    1990-01-01

    A test molecule Monte Carlo simulation algorithm was devised and tested to compute near equilibrium transitional flow and resulting mass flux on complex surface geometries. The results agreed, within the calculated statistical error of the simulation, with known analytical solutions at the free molecular limit, and gave satisfactory agreement near the continuum limit, when compared to a diffusion model with slip boundary conditions. The effects of the Knudsen number on dimensionless mass exchange factors are considered for slip flow in an aperture geometry. A variety of surface outgassing and surface adsorption-migration kinetics models can be mated with the test molecule simulation to compute surface deposition values. A multimolecular layer model with two-neighbor migration is considered as one such alternative for surface adsorption-migration kinetics. Calculations of surface deposition for heavy chain oil molecules, known as DC-704, are compared to experi-mental data, showing good agreement. This kinetic model can serve as a boundary condition when computing the exchange of mass among various surfaces.

  7. Numerical methods for the simulation of complex multi-body flows with applications for the integrated Space Shuttle vehicle

    NASA Technical Reports Server (NTRS)

    Chan, William M.

    1992-01-01

    The following papers are presented: (1) numerical methods for the simulation of complex multi-body flows with applications for the Integrated Space Shuttle vehicle; (2) a generalized scheme for 3-D hyperbolic grid generation; (3) collar grids for intersecting geometric components within the Chimera overlapped grid scheme; and (4) application of the Chimera overlapped grid scheme to simulation of Space Shuttle ascent flows.

  8. A DYNAMIC PHYSIOLOGICALLY-BASED TOXICOKINETIC (DPBTK) MODEL FOR SIMULATION OF COMPLEX TOLUENE EXPOSURE SCENARIOS IN HUMANS

    EPA Science Inventory

    A GENERAL PHYSIOLOGICAL AND TOXICOKINETIC (GPAT) MODEL FOR SIMULATION OF COMPLEX TOLUENE EXPOSURE SCENARIOS IN HUMANS. E M Kenyon1, T Colemen2, C R Eklund1 and V A Benignus3. 1U.S. EPA, ORD, NHEERL, ETD, PKB, RTP, NC, USA; 2Biological Simulators, Inc., Jackson MS, USA, 3U.S. EP...

  9. Simulation Based Optimization of Complex Monolithic Composite Structures Using Cellular Core Technology

    NASA Astrophysics Data System (ADS)

    Hickmott, Curtis W.

    Cellular core tooling is a new technology which has the capability to manufacture complex integrated monolithic composite structures. This novel tooling method utilizes thermoplastic cellular cores as inner tooling. The semi-rigid nature of the cellular cores makes them convenient for lay-up, and under autoclave temperature and pressure they soften and expand providing uniform compaction on all surfaces including internal features such as ribs and spar tubes. This process has the capability of developing fully optimized aerospace structures by reducing or eliminating assembly using fasteners or bonded joints. The technology is studied in the context of evaluating its capabilities, advantages, and limitations in developing high quality structures. The complex nature of these parts has led to development of a model using the Finite Element Analysis (FEA) software Abaqus and the plug-in COMPRO Common Component Architecture (CCA) provided by Convergent Manufacturing Technologies. This model utilizes a "virtual autoclave" technique to simulate temperature profiles, resin flow paths, and ultimately deformation from residual stress. A model has been developed simulating the temperature profile during curing of composite parts made with the cellular core technology. While modeling of composites has been performed in the past, this project will look to take this existing knowledge and apply it to this new manufacturing method capable of building more complex parts and develop a model designed specifically for building large, complex components with a high degree of accuracy. The model development has been carried out in conjunction with experimental validation. A double box beam structure was chosen for analysis to determine the effects of the technology on internal ribs and joints. Double box beams were manufactured and sectioned into T-joints for characterization. Mechanical behavior of T-joints was performed using the T-joint pull-off test and compared to traditional

  10. Complex Urban Simulations and Sustainable Urban Planning with Spatial and Social Implications

    NASA Astrophysics Data System (ADS)

    Becker, T.; Boschert, S.; Hempel, L.; Höffken, S.; Obst, B.

    2013-09-01

    Cities can be seen as complex systems of heterogeneous processes with a high variety of different influences (e.g. social, infrastructural, economic, and political impacts). This especially applies for tasks concerning urban development of existing assets. The optimization of traffic flows, reduction of emissions, improvement of energy efficiency, but also urban climate and landscape planning issues require the involvement of many different actors, balancing different perspectives, and divergent claims. The increasing complexities of planning and decision processes make high demands on professionals of various disciplines, government departments, and municipal decision-makers. In the long term, topics like urban resilience, energy management, risk and resource management have to be taken into account and reflected in future projects, but always related to socio-spatial and governmental aspects. Accordingly, it is important to develop models to be able to understand and analyze the outcomes and effects of governmental measures and planning to the urban environment. Thus, a more systematic approach is needed - going away from welldefined city models to city system models. The purpose is to describe urban processes not only quantitatively, but to grasp their qualitative complexity and interdependencies, by modeling and simulating existing urban systems. This contribution will present the City System Model (CSM) concept closely related to an Urban Energy Planning use case, will highlight the methodology, and focus on first results and findings from an ongoing interdisciplinary research project and use case to improve the basis of information for decision-makers and politicians about urban planning decisions.

  11. Large eddy simulation on unstructured meshes using Lagrangian subgrid-scale model for complex turbulent flows

    NASA Astrophysics Data System (ADS)

    Tran, Steven; Sahni, Onkar; RPI Team

    2015-11-01

    Large eddy simulations (LES) provide high fidelity in which the large-scale turbulent structures are resolved while their interactions with the subgrid scales are modeled. In a Smagorinsky-based LES approach, the unresolved stresses are modeled using an eddy viscosity which in-turn involves a model parameter that is unknown a priori and varies in space and time for complex problems. Therefore, dynamic procedures are employed to determine this parameter where averaging is applied to make the procedure robust. When applicable, spatial averaging is applied across homogeneous directions. However, for complex flows the Lagrangian subgrid-scale model employing averaging over pathlines becomes attractive. In contrast to the dynamic Smagorinsky model, variational multiscale (VMS) models have also been developed for LES. In this study, we investigate dynamic mixed models for LES based on the combinations of the Lagrangian subgrid-scale model and the residual-based VMS (RBVMS) approach to study complex, inhomogeneous turbulent flows on unstructured meshes. Applications range from flow through a channel to flow over an airfoil at a moderate angle of attack. Experimental and DNS data are used to make comparisons.

  12. Duct injection technology prototype development: Nozzle development Subtask 4. 1, Atomizer specifications for duct injection technology

    SciTech Connect

    Not Available

    1992-02-01

    Babcock Wilcox has conducted a program to identify atomizers appropriate for successful in-duct injection of humidification water and lime slurries. The purpose of this program was to identify and quantify atomizer spray and performance criteria that affect the operations and reliability of the in-duct SO{sub 2} removal process, and compare commercially available atomizers to these criteria.

  13. Device for Measuring Low Flow Speed in a Duct

    NASA Technical Reports Server (NTRS)

    Quinn, Frank; Magee, Kevin

    2009-01-01

    A multiple-throat venturi system has been invented for measuring laminar flow of air or other gas at low speed (1 to 30 cm/s) in a duct while preserving the laminar nature of the flow and keeping the velocity profile across the duct as nearly flat as possible. While means for measuring flows at higher speeds are well established, heretofore, there have been no reliable means for making consistent, accurate measurements in this speed range. In the original application for which this system was invented, the duct leads into the test section of a low-speed wind tunnel wherein uniform, low-speed, laminar flow is required for scientific experiments. The system could also be used to monitor a slow flow of gas in an industrial process like chemical vapor deposition. In the original application, the multiple- throat venturi system is mounted at the inlet end of the duct having a rectangular cross section of 19 by 14 cm, just upstream of an assembly of inlet screens and flow straighteners that help to suppress undesired flow fluctuations (see Figure 1). The basic venturi measurement principle is well established: One measures the difference in pressure between (1) a point just outside the inlet, where the pressure is highest and the kinetic energy lowest; and (2) the narrowest part (the throat) of the venturi passage, where the kinetic energy is highest and the pressure is lowest. Then by use of Bernoulli s equation for the relationship between pressure and kinetic energy, the volumetric flow speed in the duct can be calculated from the pressure difference and the inlet and throat widths. The design of this system represents a compromise among length, pressure recovery, uniformity of flow, and complexity of assembly. Traditionally, venturis are used to measure faster flows in narrower cross sections, with longer upstream and downstream passages to maintain accuracy. The dimensions of the passages of the present venturi system are sized to provide a readily measurable

  14. Duct-to-mucosa pancreatojejunostomy for small main pancreatic duct by the parachute technique after pancreatoduodenectomy.

    PubMed

    Okamoto, Kojun; Koyama, Isamu; Toshimitsu, Yasuko; Aikawa, Masayasu; Okada, Katsuya; Ueno, Yosuke; Miyazawa, Mitsuo

    2011-01-01

    A duct-to-mucosa pancreatojejunostomy is technically difficult to perform for a small main pancreatic duct after pancreatoduodenectomy. Our group applied the parachute technique to reconstruct and attach a small pancreatic duct to the jejunal mucosa. This method makes it very easy to position stitches on the posterior row of the anastomosis. It also allows a complete view of every stitch, both inside and outside the pancreatic duct and jejunal wall. Sixteen patients underwent pancreatoduodenectomy followed by duct-to-mucosa pancreatojejunostomy by the parachute technique. Pancreatic fistulae developed in 3 of the patients, but none of the fistulae were severe. The median postoperative hospital stay was 14.5 days, and there were no postoperative deaths during that time. In conclusion, pancreatojejunostomy by the parachute technique is a simple method with a very low risk of pancreatic fistula formation and a considerably shortened postoperative hospital stay. The method is also useful for reconstruction with pancreatojejunostomy after pancreatoduodenectomy.

  15. Molecular dynamics simulations of complex mixtures aimed at the preparation of naproxen-imprinted xerogels.

    PubMed

    Concu, Riccardo; Perez, Martin; Cordeiro, M Natália D S; Azenha, Manuel

    2014-12-22

    The main objective of this study was to simulate for the first time a complex sol-gel system aimed at preparing the (S)-naproxen-imprinted xerogel with an explicit representation of all the ionic species at pH 9. For this purpose, a series of molecular dynamics (MD) simulations of different mixtures, including species never studied before using the OPLS-AA force field, were prepared. A new parametrization for these species was developed and found to be acceptable. Three different systems were simulated, representing two types of pregelification models: the first one represented the initial mixture after complete hydrolysis and condensation to cyclic trimers (model A); the second one corresponded to the same mixture after the evaporation process (model B); and the last one was a simpler initial mixture without an explicit representation of all of the imprinting-mixture constituents (model C). The comparison of systems A and C mainly served the purpose of evaluating whether an explicit representation of all of the components (model A) was needed or if a less computationally demanding system in which the alkaline forms of the silicate species were ignored (model C) would be sufficient. The results confirmed our hypothesis that an explicit representation of all of the imprinting-mixture constituents is essential to study the molecular imprinting process because a poor representation of the ionic species present in the mixture may lead to erroneous conclusions or lost information. In general, the radial distribution function (RDF) analysis and interaction energies demonstrated a high affinity of the template molecule, 2-(6-methoxynaphthalen-2-yl)propanoate (NAP(-), the conjugate base of (S)-naproxen), for the gel backbone, especially targeting the units containing the dihydroimidazolium moiety used as a functional group. Model B, representing a nearly gelled sol where the density of silicates and solvent polarity were much higher relative to the other models, allowed

  16. An immersed boundary method for direct and large eddy simulation of stratified flows in complex geometry

    NASA Astrophysics Data System (ADS)

    Rapaka, Narsimha R.; Sarkar, Sutanu

    2016-10-01

    A sharp-interface Immersed Boundary Method (IBM) is developed to simulate density-stratified turbulent flows in complex geometry using a Cartesian grid. The basic numerical scheme corresponds to a central second-order finite difference method, third-order Runge-Kutta integration in time for the advective terms and an alternating direction implicit (ADI) scheme for the viscous and diffusive terms. The solver developed here allows for both direct numerical simulation (DNS) and large eddy simulation (LES) approaches. Methods to enhance the mass conservation and numerical stability of the solver to simulate high Reynolds number flows are discussed. Convergence with second-order accuracy is demonstrated in flow past a cylinder. The solver is validated against past laboratory and numerical results in flow past a sphere, and in channel flow with and without stratification. Since topographically generated internal waves are believed to result in a substantial fraction of turbulent mixing in the ocean, we are motivated to examine oscillating tidal flow over a triangular obstacle to assess the ability of this computational model to represent nonlinear internal waves and turbulence. Results in laboratory-scale (order of few meters) simulations show that the wave energy flux, mean flow properties and turbulent kinetic energy agree well with our previous results obtained using a body-fitted grid (BFG). The deviation of IBM results from BFG results is found to increase with increasing nonlinearity in the wave field that is associated with either increasing steepness of the topography relative to the internal wave propagation angle or with the amplitude of the oscillatory forcing. LES is performed on a large scale ridge, of the order of few kilometers in length, that has the same geometrical shape and same non-dimensional values for the governing flow and environmental parameters as the laboratory-scale topography, but significantly larger Reynolds number. A non-linear drag law

  17. Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

    DOE PAGES

    Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; Thornton, Katsuyo

    2015-05-15

    Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

  18. Phase-field simulations of GaN growth by selective area epitaxy from complex mask geometries

    SciTech Connect

    Aagesen, Larry K.; Thornton, Katsuyo; Coltrin, Michael E.; Han, Jung

    2015-05-21

    Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.

  19. Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

    SciTech Connect

    Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; Thornton, Katsuyo

    2015-05-15

    Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks and processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.

  20. Late Probing for Congenital Nasolacrimal Duct Obstruction

    PubMed Central

    Abrishami, Mohammad; Bagheri, Abbas; Salour, Soltan-Hossein; Mirdehghan, S. Ali

    2009-01-01

    Purpose To report the results of late nasolacrimal duct probing in patients with congenital nasolacrimal duct obstruction (NLDO). Methods This retrospective study was performed on a consecutive series of patients with congenital NLDO who underwent late (after 15 months of age) nasolacrimal duct probing for the first time. Results Over a period of five years, 158 patients including 75 (47.4%) male and 83 (52.6%) female subjects with mean age of 3±4.2 years (range, 15 months to 37 years) underwent initial probing for NLDO. Nasolacrimal duct probing was performed unilaterally in 78% and bilaterally in 22% of the patients. Success rate was 75% overall, 72% in unilateral cases and 83% in bilateral instances. Success rate was not correlated with age at intervention. Conclusion Nasolacrimal duct probing seems to be reasonably successful for treatment of congenital NLDO in patients older than 15 months who are seen for the first time. Silicone intubation or dacryocystorhinostomy should be reserved for refractory cases. PMID:23198056

  1. Sensitivity of the coastal tsunami simulation to the complexity of the 2011 Tohoku earthquake source model

    NASA Astrophysics Data System (ADS)

    Monnier, Angélique; Loevenbruck, Anne; Gailler, Audrey; Hébert, Hélène

    2016-04-01

    The 11 March 2011 Tohoku-Oki event, whether earthquake or tsunami, is exceptionally well documented. A wide range of onshore and offshore data has been recorded from seismic, geodetic, ocean-bottom pressure and sea level sensors. Along with these numerous observations, advance in inversion technique and computing facilities have led to many source studies. Rupture parameters inversion such as slip distribution and rupture history permit to estimate the complex coseismic seafloor deformation. From the numerous published seismic source studies, the most relevant coseismic source models are tested. The comparison of the predicted signals generated using both static and cinematic ruptures to the offshore and coastal measurements help determine which source model should be used to obtain the more consistent coastal tsunami simulations. This work is funded by the TANDEM project, reference ANR-11-RSNR-0023-01 of the French Programme Investissements d'Avenir (PIA 2014-2018).

  2. Method and apparatus for transfer function simulator for testing complex systems

    NASA Technical Reports Server (NTRS)

    Kavaya, M. J. (Inventor)

    1985-01-01

    A method and apparatus for testing the operation of a complex stabilization circuit in a closed loop system is presented. The method is comprised of a programmed analog or digital computing system for implementing the transfer function of a load thereby providing a predictable load. The digital computing system employs a table stored in a microprocessor in which precomputed values of the load transfer function are stored for values of input signal from the stabilization circuit over the range of interest. This technique may be used not only for isolating faults in the stabilization circuit, but also for analyzing a fault in a faulty load by so varying parameters of the computing system as to simulate operation of the actual load with the fault.

  3. The FE simulation research on roll bending process of complex sheet with padding assisted

    NASA Astrophysics Data System (ADS)

    Wei, Tianhai; Zhao, Yixi; Song, Bo; Chen, Baoguo; Yu, Zhongqi

    2013-05-01

    The roll bending process with padding assisted is a new profile forming method. In this paper, the aluminum sheet 2024-T3 with variable thickness is roll bended through three-roller with padding assisted. The finite element model is established with ABAQUS software, the forming process and springback are successfully simulated. The padding material and the padding thickness are discussed based on FE model. The result showed that the PA6-G, with a higher strength, is a preferred padding material. The good forming result will be obtained if the padding of thicker thickness is chosen among 6mm and 9mm. This research provides some useful references for the real forming process of complex sheet.

  4. Pulse-spreading harmonic complex as an alternative carrier for vocoder simulations of cochlear implants.

    PubMed

    Mesnildrey, Quentin; Hilkhuysen, Gaston; Macherey, Olivier

    2016-02-01

    Noise- and sine-carrier vocoders are often used to acoustically simulate the information transmitted by a cochlear implant (CI). However, sine-waves fail to mimic the broad spread of excitation produced by a CI and noise-bands contain intrinsic modulations that are absent in CIs. The present study proposes pulse-spreading harmonic complexes (PSHCs) as an alternative acoustic carrier in vocoders. Sentence-in-noise recognition was measured in 12 normal-hearing subjects for noise-, sine-, and PSHC-vocoders. Consistent with the amount of intrinsic modulations present in each vocoder condition, the average speech reception threshold obtained with the PSHC-vocoder was higher than with sine-vocoding but lower than with noise-vocoding.

  5. Pulse-spreading harmonic complex as an alternative carrier for vocoder simulations of cochlear implants.

    PubMed

    Mesnildrey, Quentin; Hilkhuysen, Gaston; Macherey, Olivier

    2016-02-01

    Noise- and sine-carrier vocoders are often used to acoustically simulate the information transmitted by a cochlear implant (CI). However, sine-waves fail to mimic the broad spread of excitation produced by a CI and noise-bands contain intrinsic modulations that are absent in CIs. The present study proposes pulse-spreading harmonic complexes (PSHCs) as an alternative acoustic carrier in vocoders. Sentence-in-noise recognition was measured in 12 normal-hearing subjects for noise-, sine-, and PSHC-vocoders. Consistent with the amount of intrinsic modulations present in each vocoder condition, the average speech reception threshold obtained with the PSHC-vocoder was higher than with sine-vocoding but lower than with noise-vocoding. PMID:26936577

  6. Complex Pathways in Folding of Protein G Explored by Simulation and Experiment

    PubMed Central

    Lapidus, Lisa J.; Acharya, Srabasti; Schwantes, Christian R.; Wu, Ling; Shukla, Diwakar; King, Michael; DeCamp, Stephen J.; Pande, Vijay S.

    2014-01-01

    The B1 domain of protein G has been a classic model system of folding for decades, the subject of numerous experimental and computational studies. Most of the experimental work has focused on whether the protein folds via an intermediate, but the evidence is mostly limited to relatively slow kinetic observations with a few structural probes. In this work we observe folding on the submillisecond timescale with microfluidic mixers using a variety of probes including tryptophan fluorescence, circular dichroism, and photochemical oxidation. We find that each probe yields different kinetics and compare these observations with a Markov State Model constructed from large-scale molecular dynamics simulations and find a complex network of states that yield different kinetics for different observables. We conclude that there are many folding pathways before the final folding step and that these paths do not have large free energy barriers. PMID:25140430

  7. Convolution seal for transition duct in turbine system

    SciTech Connect

    Flanagan, James Scott; LeBegue, Jeffrey Scott; McMahan, Kevin Weston; Dillard, Daniel Jackson; Pentecost, Ronnie Ray

    2015-05-26

    A turbine system is disclosed. In one embodiment, the turbine system includes a transition duct. The transition duct includes an inlet, an outlet, and a passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of the transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The transition duct further includes an interface feature for interfacing with an adjacent transition duct. The turbine system further includes a convolution seal contacting the interface feature to provide a seal between the interface feature and the adjacent transition duct.

  8. Curvilinear Immersed Boundary Method for Simulating Fluid Structure Interaction with Complex 3D Rigid Bodies

    PubMed Central

    Borazjani, Iman; Ge, Liang; Sotiropoulos, Fotis

    2010-01-01

    The sharp-interface CURVIB approach of Ge and Sotiropoulos [L. Ge, F. Sotiropoulos, A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries, Journal of Computational Physics 225 (2007) 1782–1809] is extended to simulate fluid structure interaction (FSI) problems involving complex 3D rigid bodies undergoing large structural displacements. The FSI solver adopts the partitioned FSI solution approach and both loose and strong coupling strategies are implemented. The interfaces between immersed bodies and the fluid are discretized with a Lagrangian grid and tracked with an explicit front-tracking approach. An efficient ray-tracing algorithm is developed to quickly identify the relationship between the background grid and the moving bodies. Numerical experiments are carried out for two FSI problems: vortex induced vibration of elastically mounted cylinders and flow through a bileaflet mechanical heart valve at physiologic conditions. For both cases the computed results are in excellent agreement with benchmark simulations and experimental measurements. The numerical experiments suggest that both the properties of the structure (mass, geometry) and the local flow conditions can play an important role in determining the stability of the FSI algorithm. Under certain conditions unconditionally unstable iteration schemes result even when strong coupling FSI is employed. For such cases, however, combining the strong-coupling iteration with under-relaxation in conjunction with the Aitken’s acceleration technique is shown to effectively resolve the stability problems. A theoretical analysis is presented to explain the findings of the numerical experiments. It is shown that the ratio of the added mass to the mass of the structure as well as the sign of the local time rate of change of the force or moment imparted on the structure by the fluid determine the stability and convergence of the

  9. Modeling Structural Dynamics of Biomolecular Complexes by Coarse-Grained Molecular Simulations.

    PubMed

    Takada, Shoji; Kanada, Ryo; Tan, Cheng; Terakawa, Tsuyoshi; Li, Wenfei; Kenzaki, Hiroo

    2015-12-15

    Due to hierarchic nature of biomolecular systems, their computational modeling calls for multiscale approaches, in which coarse-grained (CG) simulations are used to address long-time dynamics of large systems. Here, we review recent developments and applications of CG modeling methods, focusing on our methods primarily for proteins, DNA, and their complexes. These methods have been implemented in the CG biomolecular simulator, CafeMol. Our CG model has resolution such that ∼10 non-hydrogen atoms are grouped into one CG particle on average. For proteins, each amino acid is represented by one CG particle. For DNA, one nucleotide is simplified by three CG particles, representing sugar, phosphate, and base. The protein modeling is based on the idea that proteins have a globally funnel-like energy landscape, which is encoded in the structure-based potential energy function. We first describe two representative minimal models of proteins, called the elastic network model and the classic Go̅ model. We then present a more elaborate protein model, which extends the minimal model to incorporate sequence and context dependent local flexibility and nonlocal contacts. For DNA, we describe a model developed by de Pablo's group that was tuned to well reproduce sequence-dependent structural and thermodynamic experimental data for single- and double-stranded DNAs. Protein-DNA interactions are modeled either by the structure-based term for specific cases or by electrostatic and excluded volume terms for nonspecific cases. We also discuss the time scale mapping in CG molecular dynamics simulations. While the apparent single time step of our CGMD is about 10 times larger than that in the fully atomistic molecular dynamics for small-scale dynamics, large-scale motions can be further accelerated by two-orders of magnitude with the use of CG model and a low friction constant in Langevin dynamics. Next, we present four examples of applications. First, the classic Go̅ model was used to

  10. 21. STATION 70.5 OF MST, WEST SIDE. AIRCONDITIONING DUCT AT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    21. STATION 70.5 OF MST, WEST SIDE. AIR-CONDITIONING DUCT AT TOP; POWER BOX ON RIGHT; WINCH ON LEFT. - Vandenberg Air Force Base, Space Launch Complex 3, Launch Pad 3 East, Napa & Alden Roads, Lompoc, Santa Barbara County, CA

  11. User's Manual for DuctE3D: A Program for 3D Euler Unsteady Aerodynamic and Aeroelastic Analysis of Ducted Fans

    NASA Technical Reports Server (NTRS)

    Srivastava, R.; Reddy, T. S. R.

    1997-01-01

    The program DuctE3D is used for steady or unsteady aerodynamic and aeroelastic analysis of ducted fans. This guide describes the input data required and the output files generated, in using DuctE3D. The analysis solves three dimensional unsteady, compressible Euler equations to obtain the aerodynamic forces. A normal mode structural analysis is used to obtain the aeroelastic equations, which are solved using either the time domain or the frequency domain solution method. Sample input and output files are included in this guide for steady aerodynamic analysis and aeroelastic analysis of an isolated fan row.

  12. Film condensation in a horizontal rectangular duct

    NASA Technical Reports Server (NTRS)

    Lu, Qing; Suryanarayana, N. V.

    1993-01-01

    Condensation heat transfer in a horizontal rectangular duct was experimentally and analytically investigated. To prevent the dripping of condensate on the film, the experiment was conducted inside a horizontal rectangular duct with vapor condensing only on the bottom cooled plate of the duct. R-113 and FC-72 (Fluorinert Electronic Fluid developed by the 3M Company) were used as the condensing fluids. The experimental program included measurements of film thickness, local and average heat transfer coefficients, wave length, wave speed, and a study of wave initiation. The measured film thickness was used to obtain the local heat transfer coefficient. The wave initiation was studied both with condensation and with an adiabatic air-liquid flow. The test sections used in both experiments were identical.

  13. Laserlithotripsy of common bile duct stones.

    PubMed Central

    Ell, C; Lux, G; Hochberger, J; Müller, D; Demling, L

    1988-01-01

    Endoscopic retrograde laser lithotripsy of common bile duct stones is a new technique which can be carried out through the endoscope without anaesthesia using ordinary endoscopic equipment. In the method described here a flashlamp pulsed Neodymium YAG laser (wave length 1064 nm) was used. Light energy was transmitted along a highly flexible quartz fibre with a diameter of 0.2 mm. This new technique was used in nine patients with concrements in the common bile duct, which could not be removed with the established endoscopic techniques. In eight of the nine the concrements (maximum diameter 4.7 x 3.1 cm) could be fragmented and in six the fragments could be extracted from the common bile duct. The total energy required was 80-300 J; complications were not observed. Images Figs 3 and 4 Fig. 5 Fig. 6 Fig. 7 Figs 8 and 9 PMID:2898421

  14. Acoustic energy in ducts - Further observations

    NASA Technical Reports Server (NTRS)

    Eversman, W.

    1979-01-01

    The transmission of acoustic energy in uniform ducts carrying uniform flow is investigated with the purpose of clarifying two points of interest. The two commonly used definitions of acoustic 'energy' flux are shown to be related by a Legendre transformation of the Lagrangian density exactly as in deriving the Hamiltonian density in mechanics. In the acoustic case the total energy density and the Hamiltonian density are not the same which accounts for two different 'energy' fluxes. When the duct has acoustically absorptive walls neither of the two flux expressions gives correct results. A reevaluation of the basis of derivation of the energy density and energy flux provides forms which yield consistent results for soft walled ducts.

  15. Investigation of the complex reaction coordinate of acid catalyzed amide hydrolysis from molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Zahn, Dirk

    2004-05-01

    The rate-determining step of acid catalyzed peptide hydrolysis is the nucleophilic attack of a water molecule to the carbon atom of the amide group. Therein the addition of the hydroxyl group to the amide carbon atom involves the association of a water molecule transferring one of its protons to an adjacent water molecule. The protonation of the amide nitrogen atom follows as a separate reaction step. Since the nucleophilic attack involves the breaking and formation of several bonds, the underlying reaction coordinate is rather complex. We investigate this reaction step from path sampling Car-Parrinello molecular dynamics simulations. This approach does not require the predefinition of reaction coordinates and is thus particularly suited for investigating reaction mechanisms. From our simulations the most relevant components of the reaction coordinate are elaborated. Though the C⋯O distance of the oxygen atom of the water molecule performing the nucleophilic attack and the corresponding amide carbon atom is a descriptor of the reaction progress, a complete picture of the reaction coordinate must include all three molecules taking part in the reaction. Moreover, the proton transfer is found to depend on favorable solvent configurations. Thus, also the arrangement of non-reacting, i.e. solvent water molecules needs to be considered in the reaction coordinate.

  16. Effects of mesh resolution on large eddy simulation of reacting flows in complex geometry combustors

    SciTech Connect

    Boudier, G.; Gicquel, L.Y.M.; Poinsot, T.J.

    2008-10-15

    The power of current parallel computers is becoming sufficient to apply large eddy simulation (LES) tools to reacting flows not only in academic configurations but also in real gas turbine chambers. The most limiting factor in performing LES of real systems is the mesh size, which directly controls the overall cost of the simulation, so that the effects of mesh resolution on LES results become a key issue. In the present work, an unstructured compressible LES solver is used to compute the reacting flow in a domain corresponding to a sector of a realistic helicopter chamber. Three grids ranging from 1.2 to 44 million elements are used for LES and results are compared in terms of mean and fluctuating fields as well as of pressure spectra. Results show that the mean temperature, reaction rate, and velocity fields are almost insensitive to the grid size. The RMS field of the resolved velocity is also reasonably independent of the mesh, while the RMS fields of temperature exhibit more sensitivity to the grid, as expected from the fact that most of the combustion process proceeds at small scales. The acoustic field exhibits a limited sensitivity to the mesh, suggesting that LES is adapted to the computation of combustion instabilities in complex systems. (author)

  17. A parallel overset-curvilinear-immersed boundary framework for simulating complex 3D incompressible flows.

    PubMed

    Borazjani, Iman; Ge, Liang; Le, Trung; Sotiropoulos, Fotis

    2013-04-01

    We develop an overset-curvilinear immersed boundary (overset-CURVIB) method in a general non-inertial frame of reference to simulate a wide range of challenging biological flow problems. The method incorporates overset-curvilinear grids to efficiently handle multi-connected geometries and increase the resolution locally near immersed boundaries. Complex bodies undergoing arbitrarily large deformations may be embedded within the overset-curvilinear background grid and treated as sharp interfaces using the curvilinear immersed boundary (CURVIB) method (Ge and Sotiropoulos, Journal of Computational Physics, 2007). The incompressible flow equations are formulated in a general non-inertial frame of reference to enhance the overall versatility and efficiency of the numerical approach. Efficient search algorithms to identify areas requiring blanking, donor cells, and interpolation coefficients for constructing the boundary conditions at grid interfaces of the overset grid are developed and implemented using efficient parallel computing communication strategies to transfer information among sub-domains. The governing equations are discretized using a second-order accurate finite-volume approach and integrated in time via an efficient fractional-step method. Various strategies for ensuring globally conservative interpolation at grid interfaces suitable for incompressible flow fractional step methods are implemented and evaluated. The method is verified and validated against experimental data, and its capabilities are demonstrated by simulating the flow past multiple aquatic swimmers and the systolic flow in an anatomic left ventricle with a mechanical heart valve implanted in the aortic position.

  18. A full model for simulation of electrochemical cells including complex behavior

    NASA Astrophysics Data System (ADS)

    Esperilla, J. J.; Félez, J.; Romero, G.; Carretero, A.

    This communication presents a model of electrochemical cells developed in order to simulate their electrical, chemical and thermal behavior showing the differences when thermal effects are or not considered in the charge-discharge process. The work presented here has been applied to the particular case of the Pb,PbSO 4|H 2SO 4 (aq)|PbO 2,Pb cell, which forms the basis of the lead-acid batteries so widely used in the automotive industry and as traction batteries in electric or hybrid vehicles. Each half-cell is considered independently in the model. For each half-cell, in addition to the main electrode reaction, a secondary reaction is considered: the hydrogen evolution reaction in the negative electrode and the oxygen evolution reaction in the positive. The equilibrium potential is calculated with the Nernst equation, in which the activity coefficients are fitted to an exponential function using experimental data. On the other hand, the two main mechanisms that produce the overpotential are considered, that is the activation or charge transfer and the diffusion mechanisms. First, an isothermal model has been studied in order to show the behavior of the main phenomena. A more complex model has also been studied including thermal behavior. This model is very useful in the case of traction batteries in electric and hybrid vehicles where high current intensities appear. Some simulation results are also presented in order to show the accuracy of the proposed models.

  19. Smoothed Particle Hydrodynamics simulation and laboratory-scale experiments of complex flow dynamics in unsaturated fractures

    NASA Astrophysics Data System (ADS)

    Kordilla, J.; Tartakovsky, A. M.; Pan, W.; Shigorina, E.; Noffz, T.; Geyer, T.

    2015-12-01

    Unsaturated flow in fractured porous media exhibits highly complex flow dynamics and a wide range of intermittent flow processes. Especially in wide aperture fractures, flow processes may be dominated by gravitational instead of capillary forces leading to a deviation from the classical volume effective approaches (Richard's equation, Van Genuchten type relationships). The existence of various flow modes such as droplets, rivulets, turbulent and adsorbed films is well known, however, their spatial and temporal distribution within fracture networks is still an open question partially due to the lack of appropriate modeling tools. With our work we want to gain a deeper understanding of the underlying flow and transport dynamics in unsaturated fractured media in order to support the development of more refined upscaled methods, applicable on catchment scales. We present fracture-scale flow simulations obtained with a parallelized Smoothed Particle Hydrodynamics (SPH) model. The model allows us to simulate free-surface flow dynamics including the effect of surface tension for a wide range of wetting conditions in smooth and rough fractures. Due to the highly efficient generation of surface tension via particle-particle interaction forces the dynamic wetting of surfaces can readily be obtained. We validated the model via empirical and semi-analytical solutions and conducted laboratory-scale percolation experiments of unsaturated flow through synthetic fracture systems. The setup allows us to obtain travel time distributions and identify characteristic flow mode distributions on wide aperture fractures intercepted by horizontal fracture elements.

  20. A parallel overset-curvilinear-immersed boundary framework for simulating complex 3D incompressible flows

    PubMed Central

    Borazjani, Iman; Ge, Liang; Le, Trung; Sotiropoulos, Fotis

    2013-01-01

    We develop an overset-curvilinear immersed boundary (overset-CURVIB) method in a general non-inertial frame of reference to simulate a wide range of challenging biological flow problems. The method incorporates overset-curvilinear grids to efficiently handle multi-connected geometries and increase the resolution locally near immersed boundaries. Complex bodies undergoing arbitrarily large deformations may be embedded within the overset-curvilinear background grid and treated as sharp interfaces using the curvilinear immersed boundary (CURVIB) method (Ge and Sotiropoulos, Journal of Computational Physics, 2007). The incompressible flow equations are formulated in a general non-inertial frame of reference to enhance the overall versatility and efficiency of the numerical approach. Efficient search algorithms to identify areas requiring blanking, donor cells, and interpolation coefficients for constructing the boundary conditions at grid interfaces of the overset grid are developed and implemented using efficient parallel computing communication strategies to transfer information among sub-domains. The governing equations are discretized using a second-order accurate finite-volume approach and integrated in time via an efficient fractional-step method. Various strategies for ensuring globally conservative interpolation at grid interfaces suitable for incompressible flow fractional step methods are implemented and evaluated. The method is verified and validated against experimental data, and its capabilities are demonstrated by simulating the flow past multiple aquatic swimmers and the systolic flow in an anatomic left ventricle with a mechanical heart valve implanted in the aortic position. PMID:23833331

  1. Second-order, exact charge conservation for electromagnetic particle-in-cell simulation in complex geometry

    NASA Astrophysics Data System (ADS)

    Pointon, T. D.

    2008-10-01

    A second-order, exact charge-conserving algorithm for accumulating charge and current on the spatial grid for electromagnetic particle-in-cell (EM-PIC) simulation in bounded geometry is presented. The algorithm supports standard EM-PIC exterior boundary conditions and complex internal conductors on non-uniform grids. Boundary surfaces are handled by smoothly transitioning from second to first-order weighting within half a cell of the boundary. When a particle is exactly on the boundary surface (either about to be killed, or just created), the weighting is fully first-order. This means that particle creation and particle/surface interaction models developed for first-order weighting do not need to be modified. An additional feature is the use of an energy-conserving interpolation scheme from the electric field on the grid to the particles. Results show that high-density, cold plasmas with ωΔt˜1, and Δx/λ≫1, can be modeled with reasonable accuracy and good energy conservation. This opens up a significant new capability for explicit simulation of high-density plasmas in high-power devices.

  2. Simulation of Complex Transport of Nanoparticles around a Tumor Using Tumor-Microenvironment-on-Chip

    PubMed Central

    Kwak, Bongseop; Ozcelikkale, Altug; Shin, Crystal S.; Park, Kinam; Han, Bumsoo

    2014-01-01

    Delivery of therapeutic agents selectively to tumor tissue, which is referred as “targeted delivery,” is one of the most ardently pursued goals of cancer therapy. Recent advances in nanotechnology enable numerous types of nanoparticles (NPs) whose properties can be designed for targeted delivery to tumors. In spite of promising early results, the delivery and therapeutic efficacy of the majority of NPs are still quite limited. This is mainly attributed to the limitation of currently available tumor models to test these NPs and systematically study the effects of complex transport and pathophysiological barriers around the tumors. In this study, thus, we developed a new in vitro tumor model to recapitulate the tumor microenvironment determining the transport around tumors. This model, named tumor-microenvironment-on-chip (T-MOC), consists of 3-dimensional microfluidic channels where tumor cells and endothelial cells are cultured within extracellular matrix under perfusion of interstitial fluid. Using this T-MOC platform, the transport of NPs and its variation due to tumor microenvironmental parameters have been studied including cut-off pore size, interstitial fluid pressure, and tumor tissue microstructure. The results suggest that T-MOC is capable of simulating the complex transport around the tumor, and providing detailed information about NP transport behavior. This finding confirms that NPs should be designed considering their dynamic interactions with tumor microenvironment. PMID:25194778

  3. Simulated two-dimensional electronic spectroscopy of the eight-bacteriochlorophyll FMO complex

    SciTech Connect

    Yeh, Shu-Hao; Kais, Sabre

    2014-12-21

    The Fenna-Matthews-Olson (FMO) protein-pigment complex acts as a molecular wire conducting energy between the outer antenna system and the reaction center; it is an important photosynthetic system to study the transfer of excitonic energy. Recent crystallographic studies report the existence of an additional (eighth) bacteriochlorophyll a (BChl a) in some of the FMO monomers. To understand the functionality of this eighth BChl, we simulated the two-dimensional electronic spectra of both the 7-site (apo form) and the 8-site (holo form) variant of the FMO complex from green sulfur bacteria, Prosthecochloris aestuarii. By comparing the spectrum, it was found that the eighth BChl can affect two different excitonic energy transfer pathways: (1) it is directly involved in the first apo form pathway (6 → 3 → 1) by passing the excitonic energy to exciton 6; and (2) it facilitates an increase in the excitonic wave function overlap between excitons 4 and 5 in the second pathway (7 → 4,5 → 2 → 1) and thus increases the possible downward sampling routes across the BChls.

  4. Atomic-Scale Molecular Dynamics Simulations of DNA-Polycation Complexes: Two Distinct Binding Patterns.

    PubMed

    Kondinskaia, Diana A; Kostritskii, Andrei Yu; Nesterenko, Alexey M; Antipina, Alexandra Yu; Gurtovenko, Andrey A

    2016-07-14

    Synthetic cationic polymers represent a promising class of delivery vectors for gene therapy. Here, we employ atomistic molecular dynamics simulations to gain insight into the structure and properties of complexes of DNA with four linear polycations: polyethylenimine (PEI), poly-l-lysine (PLL), polyvinylamine (PVA), and polyallylamine (PAA). These polycations differ in their polymer geometries, protonation states, and hydrophobicities of their backbone chains. Overall, our results demonstrate for the first time the existence of two distinct patterns of binding of DNA with polycations. For PEI, PLL, and PAA, the complex is stabilized by the electrostatic attraction between protonated amine groups of the polycation and phosphate groups of DNA. In contrast, PVA demonstrates an alternative binding pattern as it gets embedded into the DNA major groove. It is likely that both the polymer topology and affinity of the backbone chain of PVA to the DNA groove are responsible for such behavior. The differences in binding patterns can have important biomedical implications: embedding PVA into a DNA groove makes it less sensitive to changes in the aqueous environment (pH level, ionic strength, etc.) and could therefore hinder the intracellular release of genetic material from a delivery vector, leading to lower transfection activity. PMID:27280954

  5. The impacts of read length and transcriptome complexity for de novo assembly: a simulation study.

    PubMed

    Chang, Zheng; Wang, Zhenjia; Li, Guojun

    2014-01-01

    Transcriptome assembly using RNA-seq data - particularly in non-model organisms has been dramatically improved, but only recently have the pre-assembly procedures, such as sequencing depth and error correction, been studied. Increasing read length is viewed as a crucial condition to further improve transcriptome assembly, but it is unknown whether the read length really matters. In addition, though many assembly tools are available now, it is unclear whether the existing assemblers perform well enough for all data with different transcriptome complexities. In this paper, we studied these two open problems using two high-performing assemblers, Velvet/Oases and Trinity, on several simulated datasets of human, mouse and S.cerevisiae. The results suggest that (1) the read length of paired reads does not matter once it exceeds a certain threshold, and interestingly, the threshold is distinct in different organisms; (2) the quality of de novo assembly decreases sharply with the increase of transcriptome complexity, all existing de novo assemblers tend to corrupt whenever the genes contain a large number of alternative splicing events. PMID:24736633

  6. Evaluation of PEGIT duct connection system

    SciTech Connect

    Walker, Iain S.; Brenner, Douglas E.; Sherman, Max H.; Dickerhoff, Darryl J.

    2003-08-01

    Most air duct system components are assembled in the field and are mechanically fastened by sheet metal screws (for sheet metal-to-sheet metal) or by drawbands (for flex duct-to-sheet metal). Air sealing is separate from this mechanical fastening and is usually achieved using tape or mastic products after mechanical fastening. Field observations have shown that mechanical fastening rarely meets code or manufacturers requirements and that sealing procedures are similarly inconsistent. To address these problems, Proctor Engineering Group (PEG) is developing a system of joining ducts (called PEGIT) that combines the mechanical fastening and sealing into a single self-contained procedure. The PEGIT system uses a shaped flexible seal between specially designed sheet metal duct fittings to both seal and fasten duct sections together. Figure 1 shows the inner duct fitting complete with rubber seal. This seal provides the air seal for the completed fitting and is shaped to allow the inner and outer fittings to slide together, and then to lock the fittings in place. The illustration in Figure 2 shows the approximate cross section of the rubber seal that shows how the seal has a lip that is angled backwards. This angled lip allows the joint to be pushed together by folding flat but then its long axis makes it stiff in the pulling apart direction. This study was undertaken to assist PEG in some of the design aspects of this system and to test the performance of the PEGIT system. This study was carried out in three phases. The initial phase evaluated the performance of a preliminary seal design for the PEGIT system. After the first phase, the seal was redesigned and this new seal was evaluated in the second phase of testing. The third phase performed more detailed testing of the second seal design to optimize the production tolerances of the sheet metal fittings. This report summarizes our findings from the first two phases and provides details about the third phase of testing.

  7. Geant4-DNA simulations using complex DNA geometries generated by the DnaFabric tool

    NASA Astrophysics Data System (ADS)

    Meylan, S.; Vimont, U.; Incerti, S.; Clairand, I.; Villagrasa, C.

    2016-07-01

    Several DNA representations are used to study radio-induced complex DNA damages depending on the approach and the required level of granularity. Among all approaches, the mechanistic one requires the most resolved DNA models that can go down to atomistic DNA descriptions. The complexity of such DNA models make them hard to modify and adapt in order to take into account different biological conditions. The DnaFabric project was started to provide a tool to generate, visualise and modify such complex DNA models. In the current version of DnaFabric, the models can be exported to the Geant4 code to be used as targets in the Monte Carlo simulation. In this work, the project was used to generate two DNA fibre models corresponding to two DNA compaction levels representing the hetero and the euchromatin. The fibres were imported in a Geant4 application where computations were performed to estimate the influence of the DNA compaction on the amount of calculated DNA damage. The relative difference of the DNA damage computed in the two fibres for the same number of projectiles was found to be constant and equal to 1.3 for the considered primary particles (protons from 300 keV to 50 MeV). However, if only the tracks hitting the DNA target are taken into account, then the relative difference is more important for low energies and decreases to reach zero around 10 MeV. The computations were performed with models that contain up to 18,000 DNA nucleotide pairs. Nevertheless, DnaFabric will be extended to manipulate multi-scale models that go from the molecular to the cellular levels.

  8. Effect of a curved duct upstream on performance of small centrifugal compressors for automobile turbochargers

    NASA Astrophysics Data System (ADS)

    Kikuchi, Shigeta; Yamasaki, Nobuhiko; Yamagata, Akihiro

    2013-02-01

    Since the automobile turbochargers are installed in an engine compartment with limited space, the ducts upstream of the turbocharger compressor may be curved in a complex manner. In the present paper, the effect of a curved duct upstream on performance of small centrifugal compressors for automobile turbochargers is discussed. The computational fluid dynamics (CFD) analysis of a turbocharger compressor validated for the compressor model with the straight pipe applied to the compressor with the curved pipe are executed, and the deterioration of the performance for the curved pipe is confirmed. It is also found that the deterioration of compressor performance is caused by the interaction of the secondary flow and the impeller.

  9. Fundamental investigation of duct/ESP phenomena

    SciTech Connect

    Brown, C.A. ); Durham, M.D. ); Sowa, W.A. . Combustion Lab.); Himes, R.M. ); Mahaffey, W.A. )

    1991-10-21

    Radian Corporation was contracted to investigate duct injection and ESP phenomena in a 1.7 MW pilot plant constructed for this test program. This study was an attempt to resolve problems found in previous studies and answer remaining questions for the technology using an approach which concentrates on the fundamental mechanisms of the process. The goal of the study was to obtain a better understanding of the basic physical and chemical phenomena that control: (1) the desulfurization of flue gas by calcium-based reagent, and (2) the coupling of an existing ESP particulate collection device to the duct injection process. Process economics are being studied by others. (VC)

  10. Computing Propagation Of Sound In Engine Ducts

    NASA Technical Reports Server (NTRS)

    Saylor, Silvia

    1995-01-01

    Frequency Domain Propagation Model (FREDOM) computer program accounts for acoustic loads applied to components of engines. Models propagation of noise through fluids in ducts between components and through passages within components. Used not only to analyze hardware problems, but also for design purposes. Updated version of FREQPL program easier to use. Devised specifically for use in analyzing acoustic loads in rocket engines. Underlying physical and mathematical concepts implemented also applicable to acoustic propagation in other enclosed spaces; analyzing process plumbing and ducts in industrial buildings with view toward reducing noise in work areas.

  11. Modern management of common bile duct stones.

    PubMed

    Buxbaum, James

    2013-04-01

    It is imperative for gastroenterologists to understand the different formations of bile duct stones and the various medical treatments available. To minimize the complications of endoscopic retrograde cholangiopancreatography (ERCP), it is critical to appropriately assess the risk of bile duct stones before intervention. Biliary endoscopists should be comfortable with the basic techniques of stone removal, including sphincterotomy, mechanical lithotripsy, and stent placement. It is important to be aware of advanced options, including laser and electrohydraulic stone fragmentation, and papillary dilatation for problematic cases. The timing and need for ERCP in those who require a cholecystectomy is also a consideration. PMID:23540960

  12. Inverse potential scattering in duct acoustics.

    PubMed

    Forbes, Barbara J; Pike, E Roy; Sharp, David B; Aktosun, Tuncay

    2006-01-01

    The inverse problem of the noninvasive measurement of the shape of an acoustical duct in which one-dimensional wave propagation can be assumed is examined within the theoretical framework of the governing Klein-Gordon equation. Previous deterministic methods developed over the last 40 years have all required direct measurement of the reflectance or input impedance but now, by application of the methods of inverse quantum scattering to the acoustical system, it is shown that the reflectance can be algorithmically derived from the radiated wave. The potential and area functions of the duct can subsequently be reconstructed. The results are discussed with particular reference to acoustic pulse reflectometry.

  13. Acoustic impedance of curved multilayered duct liners

    NASA Technical Reports Server (NTRS)

    Zorumski, W. E.

    1973-01-01

    The effect of curvature of annular duct liners on the liner acoustic impedance is examined. Exact equations are derived for the impedance of point reacting liners which are made from an arbitrary number of thin cylindrical layers of porous material separated by small radially oriented cells. Equations are given for liners with convex curvature and for liners with concave curvature. For ducts with small curvature, it is shown that these equations reduce to the equations for a flat liner. It is shown, by analytical and numerical examples, that the effect of liner curvature is significant in practical noise reduction problems.

  14. Parotid duct cyst: a case report.

    PubMed

    Erkan, A N; Hürcan, C; Bal, N; Yilmazer, C; Ozlüoglu, L

    2006-01-01

    Salivary gland cysts can be benign or malignant. Salivary duct cysts are benign tumours that occur mainly in the parotid gland and represent 10% of all salivary gland cysts. We report the case of a 48-year-old man who presented with a painless preauricular mass on the right side. Superficial parotidectomy was performed based on magnetic resonance imaging (MRI). Histopathologic examination of the specimen revealed a parotid duct cyst. Here we report clinical features, diagnosis, and treatment of the case as well as a review of the literature.

  15. Analysis and consequences of fire inside the ventilation ducts of a nuclear facility

    SciTech Connect

    Briand, A.R.; Laborde, J.C. ); Savornin, J.H.; Tessier, J.L. )

    1989-01-01

    Accident events involving fire are rather frequent and could have a severe effect on the safety of nuclear facilities. Among the fires that have broken out in nuclear plants, several have resulted from ignition of dust deposited inside the ventilation ducts and on the high-efficiency particulate air (HEPA) filters. The BEATRICE test facility has been designed and built at a French nuclear studies center to enable the analysis and consequences of these types of fires to be evaluated. The associated experimental program is aimed at characterizing the fire (fire spread, aerosols formed), determining and simulating the temperature profiles along the duct (thermal losses evaluation by the pipette code), and evaluating the challenge and behavior of the associated HEPA filters (efficiency, contamination release, etc.). The tests performed in this study contributed to improvements in the basic knowledge about fires inside ventilation ducts and define the associated strategies (ventilation control, filters protection, etc.).

  16. Cavitation erosion in blocked flow with a ducted ice-class propeller

    SciTech Connect

    Doucet, J.M.; Bose, N.; Walker, D.; Jones, S.J.

    1996-12-31

    Ships that operate in ice often encounter momentary increased propeller cavitation because ice pieces block the flow into the propeller. For ducted propellers, this additional cavitation is more significant than it is for open propellers; ice pieces may become lodged against and within the duct and subject the propeller to longer periods of increased cavitation due to the blocked flow. Associated with this blocked flow is the possibility of cavitation erosion on the propeller. An erosion study, using paint films, was conducted in a cavitation tunnel with a model propeller of the type fitted to the Canadian Marine Drilling Ltd. vessel MV Robert LeMeur. A simulated ice blockage was installed ahead of the propeller model and within the duct. Tests were carried out over a range of advance coefficients for various test conditions. The resulting types of cavitation were documented, the erosion patterns were photographed and comparisons between each test were made.

  17. Chemistry specificity of DNA-polycation complex salt response: a simulation study of DNA, polylysine and polyethyleneimine.

    PubMed

    Antila, Hanne S; Härkönen, Marc; Sammalkorpi, Maria

    2015-02-21

    In this work, the chemistry specific stability determining factors of DNA-polycation complexes are examined by performing all-atom molecular dynamics simulations. To this end, we conduct a systematic variation of polycation line charge through polyethyleneimine (PEI) protonation and polycation chemistry via comparison with poly-l-lysine (PLL). Our simulations show that increasing line charge of the polycation alone does not lead to more salt tolerant complexes. Instead, the effective charge compensation by the polycation correlates with the increased stability of the complex against additional salt. The salt stability of PEI-DNA complexes also links to the proton sponge property of weak polycations, commonly assumed to be behind the effectivity of PEI as a gene delivery vector. Examination of the complexes reveals the mechanism behind this behaviour; more Cl(-) ions are attracted by the protonated complexes but, in contrast to the common depiction of the proton sponge behaviour, the ion influx does not cause swelling of the complex structure itself. However, PEI protonation leads to release of PEI while DNA remains tightly bound to the complex. Jointly, these findings shed light on the stability determining factors of DNA-polycation complexes, raise charge distribution as an important stability determining contributor, and indicate that the effectivity of PEI in gene delivery is likely to result from the freed PEI facilitating gene transfection.

  18. Laparoscopic Common Bile Duct Exploration in Patients With Gallstones and Choledocholithiasis

    PubMed Central

    Rodriguez, Omaira; Bellorín, Omar; Sánchez, Renata; Benítez, Gustavo

    2010-01-01

    Objectives: To compare the effectiveness of laparoscopic common bile duct exploration in patients with failed endoscopic retrograde cholangiopancreatography (ERCP). Methods: This is a descriptive, comparative study. Patients with an indication of common bile duct exploration between February 2005 and October 2008 were included. We studied 2 groups: Group A: patients with failed ERCP who underwent LCBDE plus LC. Group B: patients with common bile duct stones managed with the 1-step approach (LCBDE + LC) with no prior ERCP. Results: Twenty-five patients were included. Group A: 9 patients, group B: 16 patients. Success rate, operative time, and hospital stay were as follows: group A 66% vs group B 87.5%; group A 187 minutes vs 106 minutes; group A 4.5 days vs 2.3 days; respectively. Conclusion: Patients with failed ERCP should be considered as high-complex cases in which the laparoscopic procedure success rate decreases, and the conversion rate increases considerably. PMID:20932377

  19. Parallel, Multigrid Finite Element Simulator for Fractured/Faulted and Other Complex Reservoirs based on Common Component Architecture (CCA)

    SciTech Connect

    Milind Deo; Chung-Kan Huang; Huabing Wang

    2008-08-31

    Black-oil, compositional and thermal simulators have been developed to address different physical processes in reservoir simulation. A number of different types of discretization methods have also been proposed to address issues related to representing the complex reservoir geometry. These methods are more significant for fractured reservoirs where the geometry can be particularly challenging. In this project, a general modular framework for reservoir simulation was developed, wherein the physical models were efficiently decoupled from the discretization methods. This made it possible to couple any discretization method with different physical models. Oil characterization methods are becoming increasingly sophisticated, and it is possible to construct geologically constrained models of faulted/fractured reservoirs. Discrete Fracture Network (DFN) simulation provides the option of performing multiphase calculations on spatially explicit, geologically feasible fracture sets. Multiphase DFN simulations of and sensitivity studies on a wide variety of fracture networks created using fracture creation/simulation programs was undertaken in the first part of this project. This involved creating interfaces to seamlessly convert the fracture characterization information into simulator input, grid the complex geometry, perform the simulations, and analyze and visualize results. Benchmarking and comparison with conventional simulators was also a component of this work. After demonstration of the fact that multiphase simulations can be carried out on complex fracture networks, quantitative effects of the heterogeneity of fracture properties were evaluated. Reservoirs are populated with fractures of several different scales and properties. A multiscale fracture modeling study was undertaken and the effects of heterogeneity and storage on water displacement dynamics in fractured basements were investigated. In gravity-dominated systems, more oil could be recovered at a given pore

  20. Prediction of acoustic fields radiated into a damped cavity by an N-port source through ducts

    NASA Astrophysics Data System (ADS)

    Boudoy, M.; Martin, V.

    2003-07-01

    The use of two parameters—source impedance and source strength—to model a fluid machine radiating fluid-borne sound via ducts has led to excellent predictions when the source, a ventilator, propagates in one or two plane-wave ducts. Can such previously published methods successfully be applied to the case of a multi-port source radiating via ducts into a damped cavity? The case under study here is a car ventilation/heating unit and the aim was to predict the pressure spectrum inside the passenger compartment caused by the noise propagated through the ventilation ducts. The progressive validation procedure used indicated how and why as the system increases in complexity, predictive accuracy diminishes. The final results are nevertheless convincing and the hypotheses, which can be further refined to reflect the reality better and provide higher quality results, are clearly defined.

  1. CDFISH: an individual-based, spatially-explicit, landscape genetics simulator for aquatic species in complex riverscapes

    USGS Publications Warehouse

    Erin L. Landguth,; Muhlfeld, Clint C.; Luikart, Gordon

    2012-01-01

    We introduce Cost Distance FISHeries (CDFISH), a simulator of population genetics and connectivity in complex riverscapes for a wide range of environmental scenarios of aquatic organisms. The spatially-explicit program implements individual-based genetic modeling with Mendelian inheritance and k-allele mutation on a riverscape with resistance to movement. The program simulates individuals in subpopulations through time employing user-defined functions of individual migration, reproduction, mortality, and dispersal through straying on a continuous resistance surface.

  2. Ontogeny of the nasopalatine duct in primates.

    PubMed

    Shimp, Kristin L; Bhatnagar, Kunwar P; Bonar, Christopher J; Smith, Timothy D

    2003-09-01

    Ecological explanations have been put forward to account for the precocious or delayed development of patency in ducts leading to the vomeronasal organ (VNO) in certain mammals. Perinatal function may be related, in part, to the patency or fusion of the vomeronasal and nasopalatine (NPD) ducts. However, few studies have focused on NPD development in primates, which generally have a prolonged period of dependence during infancy. In this study we examined 24 prenatal primates and 13 neonatal primates, and a comparative sample of fetal mice and insectivores. In embryonic and early fetal Microcebus murinus, the NPD was completely fused, whereas in fetuses of later stages the duct was partially fused or completely patent. M. myoxinus of all stages demonstrated some degree of NPD fusion. In all other prenatal primates, the NPD was fused to some extent. Four prenatal insectivores (Tenrec ecaudatus) showed some degree of NPD fusion. In Mus musculus at 19 days gestation, the NPD was patent, although the anatomically separate VNO duct was fused. T. ecaudatus and most of the neonatal primates revealed complete NPD patency. An exception was Saguinus geoffroyi, which exhibited fusion of the NPD near the VNO opening. These observations may relate to differences in perinatal VNO function. The differences noted in our study suggest that M. murinus and M. myoxinus may differ in perinatal VNO functionality and perhaps in related behavior. Observations of neonatal primates suggest that NPD patency may be relatively common at birth and could serve other purposes in addition to being an access route for VNO stimuli.

  3. Idea Bank: Duct Tape Note Twister

    ERIC Educational Resources Information Center

    McHenry, Molly

    2008-01-01

    In this article, the author relates how she observed a middle school math teacher deliver a miserable class. She realized that she did the same thing to her music students. To engage her students, she developed "Note Twister," a music reading game using duct tape to form musical notes and the basic premise behind the game, "Twister." She finds…

  4. Detonation duct gas generator demonstration program

    NASA Technical Reports Server (NTRS)

    Wortman, Andrew; Brinlee, Gayl A.; Othmer, Peter; Whelan, Michael A.

    1991-01-01

    The feasibility of the generation of detonation waves moving periodically across high speed channel flow is experimentally demonstrated. Such waves are essential to the concept of compressing requirements and increasing the engine pressure compressor with the objective of reducing conventional compressor requirements and increasing the engine thermodynamic efficiency through isochoric energy addition. By generating transient transverse waves, rather than standing waves, shock wave losses are reduced by an order of magnitude. The ultimate objective is to use such detonation ducts downstream of a low pressure gas turbine compressor to produce a high overall pressure ratio thermodynamic cycle. A 4 foot long, 1 inch x 12 inch cross-section, detonation duct was operated in a blow-down mode using compressed air reservoirs. Liquid or vapor propane was injected through injectors or solenoid valves located in the plenum or the duct itself. Detonation waves were generated when the mixture was ignited by a row of spark plugs in the duct wall. Problems with fuel injection and mixing limited the air speeds to about Mach 0.5, frequencies to below 10 Hz, and measured pressure ratios of about 5 to 6. The feasibility of the gas dynamic compression was demonstrated and the critical problem areas were identified.

  5. Sound attenuation of fiberglass lined ventilation ducts

    NASA Astrophysics Data System (ADS)

    Albright, Jacob

    Sound attenuation is a crucial part of designing any HVAC system. Most ventilation systems are designed to be in areas occupied by one or more persons. If these systems do not adequately attenuate the sound of the supply fan, compressor, or any other source of sound, the affected area could be subject to an array of problems ranging from an annoying hum to a deafening howl. The goals of this project are to quantify the sound attenuation properties of fiberglass duct liner and to perform a regression analysis to develop equations to predict insertion loss values for both rectangular and round duct liners. The first goal was accomplished via insertion loss testing. The tests performed conformed to the ASTM E477 standard. Using the insertion loss test data, regression equations were developed to predict insertion loss values for rectangular ducts ranging in size from 12-in x 18-in to 48-in x 48-in in lengths ranging from 3ft to 30ft. Regression equations were also developed to predict insertion loss values for round ducts ranging in diameters from 12-in to 48-in in lengths ranging from 3ft to 30ft.

  6. Sound in low velocity ventilation ducts

    NASA Astrophysics Data System (ADS)

    1982-07-01

    This Data Item is available as part of the ESDU Sub-series on Fluid Mechanics Internal Flow. Essential data for estimating the change in acoustical energy as sound propagates through a ventilating system is provided. From a knowledge of this sound energy, the sound pressure level which results on any room served by the system may be estimated. From consideration of the estimated sound pressure levels in the most sensitive areas of the building the amount of silencing required in the system to achieve acceptable sound levels can be assessed. Data are provided in either graphical or tabular form for the estimation of the attenuation of sound in ducts and duct fittings and for the estimation of the sound generated as air flows through standard duct fittings. A means of estimating the octave band sound pressure levels due to the air-conditioning system in a room is also given. Other factors which effect sound in ventilation ducts (e.g., breakout) are discussed.

  7. Common bile duct obstruction due to candidiasis.

    PubMed

    Domagk, D; Bisping, G; Poremba, C; Fegeler, W; Domschke, W; Menzel, J

    2001-04-01

    Biliary obstruction with its wide range of potential causes (e.g. neoplastic lesions, gallstones and inflammatory processes) is a common disease in gastroenterology. Although infections with Candida and other fungal species have increasingly been recognized in patients with certain predispositions, fungal involvement of the biliary tract is extremely rare. We report the case of a male patient with a past history of long-time mechanical ventilation and who was referred to our department with cholangitis. Endoscopic retrograde cholangio-pancreatography (ERCP) of the septic patient revealed a high-degree stenosis of the distal common bile duct with a prestenotic dilation which was strongly suspicious of an underlying malignancy. Control ERCP revealed a beads-like deformation of the intra- and extrahepatic bile duct system which was compatible with chronic secondary sclerosing cholangitis. Examining the bile duct system with a balloon catheter, a long tubular. filamentous structure with several branches at its sides could be extracted and was assessed histologically to be a Candida conglomerate. Candida colonization of the bile duct was confirmed by microbiological analysis of aspirated bile.

  8. Optimal Complexity in Reservoir Modeling of an Eolian Sandstone for Carbon Sequestration Simulation

    NASA Astrophysics Data System (ADS)

    Li, S.; Zhang, Y.; Zhang, X.

    2011-12-01

    Geologic Carbon Sequestration (GCS) is a proposed means to reduce atmospheric concentrations of carbon dioxide (CO2). Given the type, abundance, and accessibility of geologic characterization data, different reservoir modeling techniques can be utilized to build a site model. However, petrophysical properties of a formation can be modeled with simplifying assumptions or with greater detail, the later requiring sophisticated modeling techniques supported by additional data. In GCS where cost of data collection needs to be minimized, will detailed (expensive) reservoir modeling efforts lead to much improved model predictive capability? Is there an optimal level of detail in the reservoir model sufficient for prediction purposes? In Wyoming, GCS into the Nugget Sandstone is proposed. This formation is a deep (>13,000 ft) saline aquifer deposited in eolian environments, exhibiting permeability heterogeneity at multiple scales. Based on a set of characterization data, this study utilizes multiple, increasingly complex reservoir modeling techniques to create a suite of reservoir models including a multiscale, non-stationary heterogeneous model conditioned to a soft depositional model (i.e., training image), a geostatistical (stationary) facies model without conditioning, a geostatistical (stationary) petrophysical model ignoring facies, and finally, a homogeneous model ignoring all aspects of sub-aquifer heterogeneity. All models are built at regional scale with a high-resolution grid (245,133,140 cells) from which a set of local simulation models (448,000 grid cells) are extracted. These are considered alternative conceptual models with which pilot-scale CO2 injection is simulated (50 year duration at 1/10 Mt per year). A computationally efficient sensitivity analysis (SA) is conducted for all models based on a Plackett-Burman Design of Experiment metric. The SA systematically varies key parameters of the models (e.g., variogram structure and principal axes of intrinsic

  9. Full waveform forward seismic modeling of geologically complex environment: Comparison of simulated and field seismic data

    NASA Astrophysics Data System (ADS)

    Heinonen, S.; Heinonen, M.; Koivisto, E.

    2012-04-01

    Reflection seismic data acquired in hard-rock terrains are often difficult to interpret due to complex geological architecture of the target areas. Even fairly simple geological structures, such as folds, can be difficult to identify from the seismic profiles because the reflection method is only able to image the sub-horizontal fold hinges, and no reflections arise from the steep fold limbs. Furthermore, typically acquisition lines in the hard-rock areas are crooked, and the data can rarely be acquired perpendicular to the strikes of the structures, if the strikes are even known. These further complicate the interpretation, because conventional processing techniques fail to compensate for the associated distortions in the ray paths. Full waveform seismic forward modeling can be used to facilitate the interpretations, to help to find optimal processing algorithms for specific structures, and also to guide the planning of a seismic survey. Recent increases in computational power and development of softwares make full wavefield forward modeling possible also for more complex, realistic geological models. In this study, we use Sofi3D-software for seismic forward modeling of 2D reflection seismic data acquired along a crooked acquisition line over a 3D fold structure. The model presents the structures previously interpreted in the Pyhäsalmi VHMS deposit, central Finland. Density, P and S-wave velocities required for the modeling are derived from in-situ drill hole logging data from the Pyhäsalmi mining camp, and Paradigm GoCad is used to build the geological 3D models. Meaningful modeling results require a sufficiently dense modeling grid, however, increasing the grid density comes at the cost of increased running time of the Sofi3D. Thus, careful parameter selection needs to be done before running the forward modeling. The results of the forward modeling aim to facilitate the interpretation of the 2D reflection seismic data available from Pyhäsalmi mining camp. The

  10. Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

    NASA Astrophysics Data System (ADS)

    Duru, Kenneth; Dunham, Eric M.

    2016-01-01

    Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a) enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge-Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture dynamics

  11. Dynamic earthquake rupture simulation on nonplanar faults embedded in 3D geometrically complex, heterogeneous Earth models

    NASA Astrophysics Data System (ADS)

    Duru, K.; Dunham, E. M.; Bydlon, S. A.; Radhakrishnan, H.

    2014-12-01

    Dynamic propagation of shear ruptures on a frictional interface is a useful idealization of a natural earthquake.The conditions relating slip rate and fault shear strength are often expressed as nonlinear friction laws.The corresponding initial boundary value problems are both numerically and computationally challenging.In addition, seismic waves generated by earthquake ruptures must be propagated, far away from fault zones, to seismic stations and remote areas.Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods.We present a numerical method for:a) enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration;b) dynamic propagation of earthquake ruptures along rough faults; c) accurate propagation of seismic waves in heterogeneous media with free surface topography.We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts finite differences in space. The finite difference stencils are 6th order accurate in the interior and 3rd order accurate close to the boundaries. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. Time stepping is performed with a 4th order accurate explicit low storage Runge-Kutta scheme. We have performed extensive numerical experiments using a slip-weakening friction law on non-planar faults, including recent SCEC benchmark problems. We also show simulations on fractal faults revealing the complexity of rupture dynamics on rough faults. We are presently extending our method to rate-and-state friction laws and off-fault plasticity.

  12. Calibrating Lattice Boltzmann flow simulations and estimating uncertainty in the permeability of complex porous media

    NASA Astrophysics Data System (ADS)

    Hosa, Aleksandra; Curtis, Andrew; Wood, Rachel

    2016-08-01

    A common way to simulate fluid flow in porous media is to use Lattice Boltzmann (LB) methods. Permeability predictions from such flow simulations are controlled by parameters whose settings must be calibrated in order to produce realistic modelling results. Herein we focus on the simplest and most commonly used implementation of the LB method: the single-relaxation-time BGK model. A key parameter in the BGK model is the relaxation time τ which controls flow velocity and has a substantial influence on the permeability calculation. Currently there is no rigorous scheme to calibrate its value for models of real media. We show that the standard method of calibration, by matching the flow profile of the analytic Hagen-Poiseuille pipe-flow model, results in a BGK-LB model that is unable to accurately predict permeability even in simple realistic porous media (herein, Fontainebleau sandstone). In order to reconcile the differences between predicted permeability and experimental data, we propose a method to calibrate τ using an enhanced Transitional Markov Chain Monte Carlo method, which is suitable for parallel computer architectures. We also propose a porosity-dependent τ calibration that provides an excellent fit to experimental data and which creates an empirical model that can be used to choose τ for new samples of known porosity. Our Bayesian framework thus provides robust predictions of permeability of realistic porous media, herein demonstrated on the BGK-LB model, and should therefore replace the standard pipe-flow based methods of calibration for more complex media. The calibration methodology can also be extended to more advanced LB methods.

  13. Investigation of complex slow slip behavior along the Hikurangi subduction zone with earthquake simulator RSQSim

    NASA Astrophysics Data System (ADS)

    Colella, H.; Ellis, S. M.; Williams, C. A.

    2015-12-01

    The Hikurangi subduction zone (New Zealand) is one of many subudction zones that exhibit slow slip behavior. Geodetic observations along the Hikurangi subduction zone are unusual in that not only does the subduction zone exhibit periodic slow slip events at "typical" subduction-zone depths of 25-50 km along the southern part of the margin, but also much shallower depths of 8-15 km along the northern part of the margin. Furthermore, there is evidence for interplay between slow slip events at these different depth ranges (between the deep and shallow events) along the central part of the margin, and some of the slow slip behavior is observed along regions of the interface that were previously considered locked, which raises questions about the slip behavior of this region. This study employs the earthquake simulator, RSQSim, to explore variations in the effective normal stress (i.e., stress after the addition of pore fluid pressures) and the frictional instability necessary to generate the complex slow slip events observed along the Hikurangi margin. Preliminary results suggest that to generate slow slip events with similar recurrence intervals to those observed the effective normal stress (MPa) is 3x higher in the south than the north, 6-9MPa versus 2-3MPa, respectively. Results also suggest that, at a minimum, that some overlap along the central margin must exist between the slow slip sections in the north and south to reproduce the types of slip events observed along the Hikurangi subduction zone. To further validate the results from the simulations, Okada solutions for surface displacements will be compared to geodetic solution to more accurately constrain the areas in which slip behavior varies and the cause(s) for the variation(s).

  14. Molecular Dynamics Simulations of the Cardiac Troponin Complex Performed with FRET Distances as Restraints

    PubMed Central

    Jayasundar, Jayant James; Xing, Jun; Robinson, John M.; Cheung, Herbert C.; Dong, Wen-Ji

    2014-01-01

    Cardiac troponin (cTn) is the Ca2+-sensitive molecular switch that controls cardiac muscle activation and relaxation. However, the molecular detail of the switching mechanism and how the Ca2+ signal received at cardiac troponin C (cTnC) is communicated to cardiac troponin I (cTnI) are still elusive. To unravel the structural details of troponin switching, we performed ensemble Förster resonance energy transfer (FRET) measurements and molecular dynamic (MD) simulations of the cardiac troponin core domain complex. The distance distributions of forty five inter-residue pairs were obtained under Ca2+-free and saturating Ca2+ conditions from time-resolved FRET measurements. These distances were incorporated as restraints during the MD simulations of the cardiac troponin core domain. Compared to the Ca2+-saturated structure, the absence of regulatory Ca2+ perturbed the cTnC N-domain hydrophobic pocket which assumed a closed conformation. This event partially unfolded the cTnI regulatory region/switch. The absence of Ca2+, induced flexibility to the D/E linker and the cTnI inhibitory region, and rotated the cTnC N-domain with respect to rest of the troponin core domain. In the presence of saturating Ca2+ the above said phenomenon were absent. We postulate that the secondary structure perturbations experienced by the cTnI regulatory region held within the cTnC N-domain hydrophobic pocket, coupled with the rotation of the cTnC N-domain would control the cTnI mobile domain interaction with actin. Concomitantly the rotation of the cTnC N-domain and perturbation of the D/E linker rigidity would control the cTnI inhibitory region interaction with actin to effect muscle relaxation. PMID:24558365

  15. Numerical Simulations of the Microscale Heterogeneities of Turbulence Observed on a Complex Site

    NASA Astrophysics Data System (ADS)

    Zaïdi, Hanane; Dupont, Eric; Milliez, Maya; Musson-Genon, Luc; Carissimo, Bertrand

    2013-05-01

    We simulate the microscale heterogeneities of turbulent variables observed at a complex site for different wind directions. The atmospheric computational fluid dynamics (CFD) results are compared with an ensemble of 36 months of data collected at the experimental site SIRTA "Site Instrumental de Recherche par Télédétection Atmosphérique", located near Paris (France) in a semi-urban environment. The experimental data show that the normalized turbulent kinetic energy (TKE) k/ U 2 (where k is TKE and U is the wind speed) at 10-m height, for two different locations, is highly dependent on wind direction and strongly influenced by trees. These measurements show a strong increase of the normalized TKE downstream of the forest canopies with a large variability within the 36-month period in part due to the variation of the tree foliage. The numerical simulations are carried out using the CFD code Code_Saturne with the standard k-ɛ closure, in neutral stratification. The buildings are taken into account explicitly in the mesh and the forested areas are modelled with two approaches: the classical roughness wall law and a drag porosity. A comparison has been performed between the calculated values and the median of measured values of the normalized TKE and the normalized friction velocity, for each wind sector of 10°. A very good agreement is obtained with the drag porosity model, whereas the classical roughness law leads to a strong underestimation downstream of the forested areas. However, this large improvement of the results using the drag porosity model can only be obtained with a refinement of the grid, especially in forested areas, and an accurate land-use map.

  16. Recent classifications of the common bile duct injury

    PubMed Central

    2014-01-01

    Laparoscopic cholecystectomy is now a gold standard treatment modality for gallstone diseases. However, the incidence rate of bile duct injury has not been changed for many years. From initial classification published by Bismuth, there have been many classifications of common bile duct injury. The initial classification, levels and types of bile duct injury, and currently combined vascular injuries are reviewed here. PMID:26155253

  17. Turbofan aft duct suppressor study program listing and user's guide

    NASA Technical Reports Server (NTRS)

    Joshi, M. C.; Kraft, R. E.

    1983-01-01

    A description of the structure of the Annular Flow Duct Program (AFDP) for the calculation of acoustic suppression due to treatment in a finite length annular duct carrying sheared flow is presented. Although most appropriate for engine exhaust ducts, this program can be used to study sound propagation in any duct that maintains annular geometry over a considerable length of the duct. The program is based on the modal analysis of sound propagation in ducts with axial segments of different wall impedances. For specified duct geometry, wall impedance, flow and acoustic conditions in the duct (including mode amplitude distribution of the source) and duct termination reflection characteristics, the program calculates the suppression due to the treatment in the duct. The presence of forward and backward traveling modes in the duct due to the reflection and redistribution of modes at segment interfaces and duct end terminations are taken into account in the calculations. The effects of thin wall boundary layers (with a linear or mean flow velocity profile) on the acoustic propagation are also included in the program. A functional description of the major subroutines is included and a sample run is provided with an explanation of the output.

  18. On Complexities of Impact Simulation of Fiber Reinforced Polymer Composites: A Simplified Modeling Framework

    PubMed Central

    Alemi-Ardakani, M.; Milani, A. S.; Yannacopoulos, S.

    2014-01-01

    Impact modeling of fiber reinforced polymer composites is a complex and challenging task, in particular for practitioners with less experience in advanced coding and user-defined subroutines. Different numerical algorithms have been developed over the past decades for impact modeling of composites, yet a considerable gap often exists between predicted and experimental observations. In this paper, after a review of reported sources of complexities in impact modeling of fiber reinforced polymer composites, two simplified approaches are presented for fast simulation of out-of-plane impact response of these materials considering four main effects: (a) strain rate dependency of the mechanical properties, (b) difference between tensile and flexural bending responses, (c) delamination, and (d) the geometry of fixture (clamping conditions). In the first approach, it is shown that by applying correction factors to the quasistatic material properties, which are often readily available from material datasheets, the role of these four sources in modeling impact response of a given composite may be accounted for. As a result a rough estimation of the dynamic force response of the composite can be attained. To show the application of the approach, a twill woven polypropylene/glass reinforced thermoplastic composite laminate has been tested under 200 J impact energy and was modeled in Abaqus/Explicit via the built-in Hashin damage criteria. X-ray microtomography was used to investigate the presence of delamination inside the impacted sample. Finally, as a second and much simpler modeling approach it is shown that applying only a single correction factor over all material properties at once can still yield a reasonable prediction. Both advantages and limitations of the simplified modeling framework are addressed in the performed case study. PMID:25431787

  19. On complexities of impact simulation of fiber reinforced polymer composites: a simplified modeling framework.

    PubMed

    Alemi-Ardakani, M; Milani, A S; Yannacopoulos, S

    2014-01-01

    Impact modeling of fiber reinforced polymer composites is a complex and challenging task, in particular for practitioners with less experience in advanced coding and user-defined subroutines. Different numerical algorithms have been developed over the past decades for impact modeling of composites, yet a considerable gap often exists between predicted and experimental observations. In this paper, after a review of reported sources of complexities in impact modeling of fiber reinforced polymer composites, two simplified approaches are presented for fast simulation of out-of-plane impact response of these materials considering four main effects: (a) strain rate dependency of the mechanical properties, (b) difference between tensile and flexural bending responses, (c) delamination, and (d) the geometry of fixture (clamping conditions). In the first approach, it is shown that by applying correction factors to the quasistatic material properties, which are often readily available from material datasheets, the role of these four sources in modeling impact response of a given composite may be accounted for. As a result a rough estimation of the dynamic force response of the composite can be attained. To show the application of the approach, a twill woven polypropylene/glass reinforced thermoplastic composite laminate has been tested under 200 J impact energy and was modeled in Abaqus/Explicit via the built-in Hashin damage criteria. X-ray microtomography was used to investigate the presence of delamination inside the impacted sample. Finally, as a second and much simpler modeling approach it is shown that applying only a single correction factor over all material properties at once can still yield a reasonable prediction. Both advantages and limitations of the simplified modeling framework are addressed in the performed case study. PMID:25431787

  20. On complexities of impact simulation of fiber reinforced polymer composites: a simplified modeling framework.

    PubMed

    Alemi-Ardakani, M; Milani, A S; Yannacopoulos, S

    2014-01-01

    Impact modeling of fiber reinforced polymer composites is a complex and challenging task, in particular for practitioners with less experience in advanced coding and user-defined subroutines. Different numerical algorithms have been developed over the past decades for impact modeling of composites, yet a considerable gap often exists between predicted and experimental observations. In this paper, after a review of reported sources of complexities in impact modeling of fiber reinforced polymer composites, two simplified approaches are presented for fast simulation of out-of-plane impact response of these materials considering four main effects: (a) strain rate dependency of the mechanical properties, (b) difference between tensile and flexural bending responses, (c) delamination, and (d) the geometry of fixture (clamping conditions). In the first approach, it is shown that by applying correction factors to the quasistatic material properties, which are often readily available from material datasheets, the role of these four sources in modeling impact response of a given composite may be accounted for. As a result a rough estimation of the dynamic force response of the composite can be attained. To show the application of the approach, a twill woven polypropylene/glass reinforced thermoplastic composite laminate has been tested under 200 J impact energy and was modeled in Abaqus/Explicit via the built-in Hashin damage criteria. X-ray microtomography was used to investigate the presence of delamination inside the impacted sample. Finally, as a second and much simpler modeling approach it is shown that applying only a single correction factor over all material properties at once can still yield a reasonable prediction. Both advantages and limitations of the simplified modeling framework are addressed in the performed case study.

  1. Heat Transfer in a Superelliptic Transition Duct

    NASA Technical Reports Server (NTRS)

    Poinsatte, Philip; Thurman, Douglas; Hippensteele, Steven

    2008-01-01

    Local heat transfer measurements were experimentally mapped using a transient liquid-crystal heat transfer technique on the surface of a circular-to-rectangular transition duct. The transition duct had a length-to-diameter ratio of 1.5 and an exit-plane aspect ratio of 3. The crosssectional geometry was defined by the equation of a superellipse. The cross-sectional area was the same at the inlet and exit but varied up to 15 percent higher through the transition. The duct was preheated to a uniform temperature (nominally 64 C) before allowing room temperature air to be suddenly drawn through it. As the surface cooled, the resulting isothermal contours on the duct surface were revealed using a surface coating of thermochromic liquid crystals that display distinctive colors at particular temperatures. A video record was made of the surface temperature and time data for all points on the duct surfaces during each test. Using this surface temperature-time data together with the temperature of the air flowing through the model and the initial temperature of the model wall, the heat transfer coefficient was calculated by employing the classic one-dimensional, semi-infinite wall heat transfer conduction model. Test results are reported for inlet diameter-based Reynolds numbers ranging from 0.4x106 to 2.4x106 and two grid-generated freestream turbulence intensities of about 1 percent, which is typical of wind tunnels, and up to 16 percent, which may be more typical of real engine conditions.

  2. Efficacy of HGF carried by ultrasound microbubble-cationic nano-liposomes complex for treating hepatic fibrosis in a bile duct ligation rat model, and its relationship with the diffusion-weighted MRI parameters.

    PubMed

    Zhang, Shou-hong; Wen, Kun-ming; Wu, Wei; Li, Wen-yan; Zhao, Jian-nong

    2013-12-01

    Hepatic fibrosis is a major consequence of liver aggression. Finding novel ways for counteracting this damaging process, and for evaluating fibrosis with a non-invasive imaging approach, represent important therapeutic and diagnostic challenges. Hepatocyte growth factor (HGF) is an anti-fibrosis cell growth factor that induces apoptosis in activated hepatic stellate cells, reduces excessive collagen deposition, and stimulates hepatocyte regeneration. Thus, using HGF in gene therapy against liver fibrosis is an attractive approach. The aims of the present study were: (i) to explore the efficacy of treating liver fibrosis using HGF expression vector carried by a novel ultrasound microbubble delivery system; (ii) to explore the diagnostic interest of diffusion-weighted MRI (DWI-MRI) in evaluating liver fibrosis. We established a rat model of hepatic fibrosis. The rats were administered HGF linked to novel ultrasound micro-bubbles. Progression of hepatic fibrosis was evaluated by histopathology, hydroxyproline content, and DWI-MRI to determine the apparent diffusion coefficient (ADC). Our targeted gene therapy produced a significant anti-fibrosis effect, as shown by liver histology and significant reduction of hydroxyproline content. Moreover, using DWI-MRI, the b value (diffusion gradient factor) was equal to 300s/mm(2), and the ADC values significantly decreased as the severity of hepatic fibrosis increased. Using this methodology, F0-F2 could be distinguished from F3 and F4 (P<0.01). This is the first in vivo report of using an ultrasound microbubble-cationic nano-liposome complex for gene delivery. The data indicate that, this approach is efficient to counteract the fibrosis process. DWI-MRI appears a promising imaging technique for evaluating liver fibrosis.

  3. Unified Microscopic-Macroscopic Monte Carlo Simulations of Complex Organic Molecule Chemistry in Cold Cores

    NASA Astrophysics Data System (ADS)

    Chang, Qiang; Herbst, Eric

    2016-03-01

    The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules (COMs). The strong correlation between the abundances and distributions of methyl formate and dimethyl ether further shows that current astrochemical models may be missing important chemical processes in cold astronomical sources. We investigate a scenario in which COMs and the methoxy radical can be formed on dust grains via a so-called chain reaction mechanism, in a similar manner to CO2. A unified gas-grain microscopic-macroscopic Monte Carlo approach with both normal and interstitial sites for icy grain mantles is used to perform the chemical simulations. Reactive desorption with varying degrees of efficiency is included to enhance the nonthermal desorption of species formed on cold dust grains. In addition, varying degrees of efficiency for the surface formation of methoxy are also included. The observed abundances of a variety of organic molecules in cold cores can be reproduced in our models. The strong correlation between the abundances of methyl formate and dimethyl ether in cold cores can also be explained. Nondiffusive chemical reactions on dust grain surfaces may play a key role in the formation of some COMs.

  4. Hydrologic Simulations in Complex Terrain Conditioned on Different Precipitation Inputs During IPHEx

    NASA Astrophysics Data System (ADS)

    Anagnostou, E. N.; Erlingis, J. M.; Vergara, H. J.; Gourley, J. J.

    2014-12-01

    An Intensive Observation Period for the Integrated Precipitation and Hydrology Experiment (IPHEx), part of NASA's Ground Validation campaign for the newly launched Global Precipitation Measurement Mission took place from May-June 2014 in the Smoky Mountains of western North Carolina. As part of the experiment, the National Severe Storms Laboratory's (NSSL) mobile dual-pol X-band radar, NOXP, was deployed in the Pigeon River Basin (PRB). The purpose of this study is to evaluate the performance of different post-processing algorithms of NOXP data with the suite of observation platforms within the IPHEx domain. In addition, the impact of standard precipitation datasets (Stage IV gauge-corrected radar estimates, Multi-Radar/Multi-Sensor System Quantitative Precipitation Estimates, Tropical Rainfall Measuring Mission (TRMM) 3B42V7 rainfall, CMORPH, WRF, etc.) on the performance of the CREST hydrologic model at small basin scales in complex terrain will be examined. Hydrologic simulations using a version of CREST with a priori parameters were conducted in the three small catchments within the PRB previously studied by Tao and Barros (2013): the Cataloochee Creek Basin, the East Fork Pigeon River Basin, and the West Fork Pigeon River Basin.

  5. Experimental testing and computational modeling of flat oval duct deflection

    SciTech Connect

    Smolinski, P.J.; Palmer, G.S.

    1998-10-01

    The deflection characteristics of spiral seam flat oval HVAC duct are examined in this study, and the effects of duct size, wall thickness, and the size spacing, and type of external reinforcement on the duct deformation are investigated. A duct test setup and a deflection measurement frame were developed for measuring the deformation of flat oval duct, and experimental testing was performed on a variety of duct configurations to measure the duct deflections at various positive and negative internal pressures. Finite element computer models of the ducts were developed to predict the deflections. The correlation between the predictions of the computer model and the data from the experimental testing is highly variable with differences ranging from a few percent to several hundred percent. In general, it was found that there was closer agreement between the finite element results and the experimental measurements for smaller duct and at locations of type 2 external reinforcements. This may be due to the fact that the finite element model assumed the idealized flat oval shape and this shape was better matched by smaller ducts and near the external reinforcement. It was also found that in some cases, unreinforced duct could achieve higher pressures than type 1 reinforced duct before exceeding the deflection limits. Sources of error include the uneven surface of the mastic in the measurement of the duct joint deflection and the variance of the actual duct shape from the idealized shape used in the finite element model. This study did not examine the variability of the experimental results due to differences in duct shape or manufacture.

  6. T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges

    PubMed Central

    2010-01-01

    Atomistic Molecular Dynamics provides powerful and flexible tools for the prediction and analysis of molecular and macromolecular systems. Specifically, it provides a means by which we can measure theoretically that which cannot be measured experimentally: the dynamic time-evolution of complex systems comprising atoms and molecules. It is particularly suitable for the simulation and analysis of the otherwise inaccessible details of MHC-peptide interaction and, on a larger scale, the simulation of the immune synapse. Progress has been relatively tentative yet the emergence of truly high-performance computing and the development of coarse-grained simulation now offers us the hope of accurately predicting thermodynamic parameters and of simulating not merely a handful of proteins but larger, longer simulations comprising thousands of protein molecules and the cellular scale structures they form. We exemplify this within the context of immunoinformatics. PMID:21067546

  7. Particle deposition in ventilation ducts: Connectors, bends anddeveloping flow

    SciTech Connect

    Sippola, Mark R.; Nazaroff, William W.

    2004-03-01

    In ventilation duct flow the turbulent flow profile is commonly disturbed or not fully developed and these conditions are likely to influence particle deposition to duct surfaces. Particle deposition rates at eight S-connectors, in two 90{sup o} duct bends and in two ducts where the turbulent flow profile was not fully developed were measured in a laboratory duct system with both galvanized steel and internally insulated ducts with hydraulic diameters of 15.2 cm. In the steel duct system, experiments with nominal particle diameters of 1, 3, 5, 9 and 16 {micro}m were conducted at each of three nominal air speeds: 2.2, 5.3 and 9.0 m/s. In the insulated duct system, deposition of particles with nominal diameters of 1, 3, 5, 8 and 13 {micro}m was measured at nominal air speeds of 2.2, 5.3 and 8.8 m/s. Fluorescent techniques were used to directly measure the deposition velocities of monodisperse fluorescent particles to duct surfaces. Deposition at S-connectors, in bends and in straight ducts with developing turbulence was often greater than deposition in straight ducts with fully developed turbulence for equal particle sizes, air speeds and duct surface orientations. Deposition rates at all locations were found to increase with an increase in particle size or air speed. High deposition rates at S-connectors resulted from impaction and these rates were nearly independent of the orientation of the S-connector. Deposition rates in the two 90{sup o} bends differed by more than an order of magnitude in some cases, probably because of the difference in turbulence conditions at the bend inlets. In straight steel ducts where the turbulent flow profile was developing, the deposition enhancement relative to fully developed turbulence generally increased with air speed and decreased with downstream distance from the duct inlet. This enhancement was greater at the duct ceiling and wall than at the duct floor. In insulated ducts, deposition enhancement was less pronounced overall

  8. Obstructing pseudocyst of the duct of Santorini in pancreas divisum.

    PubMed

    Browder, W; Gravois, E; Vega, P; Ertan, A

    1987-03-01

    Pancreas divisum is a pancreatic duct anomaly that occurs due to failure of fusion of the dorsal and ventral ducts. While recognition of this anomaly is increasing due to more aggressive endoscopic retrograde cholangiopancreatography, its significance remains unclear. A patient with chronic pancreatitis and a history of alcohol abuse was noted to have pancreas divisum. At surgical exploration, intraoperative pancreatography revealed an obstructing pseudocyst of the duct of Santorini. Extended sphincteroplasty and cystduodenostomy as well as Roux-en-Y pancreatojejunostomy were necessary to insure adequate accessory duct drainage. Surgical therapy of pancreas divisum in chronic pancreatitis should be designed to correct existing pancreatic duct obstruction.

  9. Transition duct with divided upstream and downstream portions

    SciTech Connect

    McMahan, Kevin Weston; LeBegue, Jeffrey Scott; Maldonado, Jaime Javier; Dillard, Daniel Jackson; Flanagan, James Scott

    2015-07-14

    Turbine systems are provided. In one embodiment, a turbine system includes a transition duct comprising an inlet, an outlet, and a duct passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of the transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The duct passage includes an upstream portion extending from the inlet and a downstream portion extending from the outlet. The turbine system further includes a rib extending from an outer surface of the duct passage, the rib dividing the upstream portion and the downstream portion.

  10. Acoustic radiation from lined, unflanged ducts: Acoustic source distribution program

    NASA Technical Reports Server (NTRS)

    Beckemeyer, R. J.; Sawdy, D. T.

    1971-01-01

    An acoustic radiation analysis was developed to predict the far-field characteristics of fan noise radiated from an acoustically lined unflanged duct. This analysis is comprised of three modular digital computer programs which together provide a capability of accounting for the impedance mismatch at the duct exit plane. Admissible duct configurations include circular or annular, with or without an extended centerbody. This variation in duct configurations provides a capability of modeling inlet and fan duct noise radiation. The computer programs are described in detail.

  11. Periodic Time-Domain Nonlocal Nonreflecting Boundary Conditions for Duct Acoustics

    NASA Technical Reports Server (NTRS)

    Watson, Willie R.; Zorumski, William E.

    1996-01-01

    Periodic time-domain boundary conditions are formulated for direct numerical simulation of acoustic waves in ducts without flow. Well-developed frequency-domain boundary conditions are transformed into the time domain. The formulation is presented here in one space dimension and time; however, this formulation has an advantage in that its extension to variable-area, higher dimensional, and acoustically treated ducts is rigorous and straightforward. The boundary condition simulates a nonreflecting wave field in an infinite uniform duct and is implemented by impulse-response operators that are applied at the boundary of the computational domain. These operators are generated by convolution integrals of the corresponding frequency-domain operators. The acoustic solution is obtained by advancing the Euler equations to a periodic state with the MacCormack scheme. The MacCormack scheme utilizes the boundary condition to limit the computational space and preserve the radiation boundary condition. The success of the boundary condition is attributed to the fact that it is nonreflecting to periodic acoustic waves. In addition, transient waves can pass rapidly out of the solution domain. The boundary condition is tested for a pure tone and a multitone source in a linear setting. The effects of various initial conditions are assessed. Computational solutions with the boundary condition are consistent with the known solutions for nonreflecting wave fields in an infinite uniform duct.

  12. Squaring the Circle: Geometric Skewness and Symmetry Breaking for Passive Scalar Transport in Ducts and Pipes.

    PubMed

    Aminian, Manuchehr; Bernardi, Francesca; Camassa, Roberto; McLaughlin, Richard M

    2015-10-01

    We study the role geometry plays in the emergence of asymmetries in diffusing passive scalars advected by pressure-driven flows in ducts and pipes of different aspect ratios. We uncover nonintuitive, multi-time-scale behavior gauged by a new statistic, which we term "geometric skewness" S^{G}, which measures instantaneously forming asymmetries at short times due to flow geometry. This signature distinguishes elliptical pipes of any aspect ratio, for which S^{G}=0, from rectangular ducts whose S^{G} is generically nonzero, and, interestingly, shows that a special duct of aspect ratio ≈0.53335 behaves like a circular pipe as its geometric skewness vanishes. Using a combination of exact solutions, novel short-time asymptotics, and Monte Carlo simulations, we establish the relevant time scales for plateaus and extrema in the evolution of the skewness and kurtosis for our class of geometries. For ducts limiting to channel geometries, we present new exact, single-series formulas for the first four moments on slices used to benchmark Monte Carlo simulations. PMID:26550727

  13. Acoustic propagation in curved ducts with extended reacting wall treatment

    NASA Technical Reports Server (NTRS)

    Baumeister, Kenneth J.

    1989-01-01

    A finite-element Galerkin formulation was employed to study the attenuation of acoustic waves propagating in two-dimensional S-curved ducts with absorbing walls without a mean flow. The reflection and transmission at the entrance and the exit of a curved duct were determined by coupling the finite-element solutions in the curved duct to the eigenfunctions of an infinite, uniform, hard wall duct. In the frequency range where the duct height and acoustic wave length are nearly equal, the effects of duct length, curvature (duct offset) and absorber thickness were examined. For a given offset in the curved duct, the length of the S-duct was found to significantly affect both the absorptive and reflective characteristics of the duct. A means of reducing the number of elements in the absorber region was also presented. In addition, for a curved duct, power attenuation contours were examined to determine conditions for maximum acoustic power absorption. Again, wall curvature was found to significantly effect the optimization process.

  14. Coupled parametric design of flow control and duct shape

    NASA Technical Reports Server (NTRS)

    Florea, Razvan (Inventor); Bertuccioli, Luca (Inventor)

    2009-01-01

    A method for designing gas turbine engine components using a coupled parametric analysis of part geometry and flow control is disclosed. Included are the steps of parametrically defining the geometry of the duct wall shape, parametrically defining one or more flow control actuators in the duct wall, measuring a plurality of performance parameters or metrics (e.g., flow characteristics) of the duct and comparing the results of the measurement with desired or target parameters, and selecting the optimal duct geometry and flow control for at least a portion of the duct, the selection process including evaluating the plurality of performance metrics in a pareto analysis. The use of this method in the design of inter-turbine transition ducts, serpentine ducts, inlets, diffusers, and similar components provides a design which reduces pressure losses and flow profile distortions.

  15. SNM holdup assessment of Los Alamos exhaust ducts. Final report

    SciTech Connect

    Marshall, R.S.

    1994-02-01

    Fissile material holdup in glovebox and fume hood exhaust ducting has been quantified for all Los Alamos duct systems. Gamma-based, nondestructive measurements were used to quantify holdup. The measurements were performed during three measurement campaigns. The first campaign, Phase I, provided foot-by-foot, semiquantitative measurement data on all ducting. These data were used to identify ducting that required more accurate (quantitative) measurement. Of the 280 duct systems receiving Phase I measurements, 262 indicated less than 50 g of fissile holdup and 19 indicated fissile holdup of 50 or more grams. Seven duct systems were measured in a second campaign, called Series 1, Phase II. Holdup estimates on these ducts ranged from 421 g of {sup 235}U in a duct servicing a shut-down uranium-machining facility to 39 g of {sup 239}Pu in a duct servicing an active plutonium-processing facility. Measurements performed in the second campaign proved excessively laborious, so a third campaign was initiated that used more efficient instrumentation at some sacrifice in measurement quality. Holdup estimates for the 12 duct systems measured during this third campaign ranged from 70 g of {sup 235}U in a duct servicing analytical laboratories to 1 g of {sup 235}U and 1 g of {sup 239}Pu in a duct carrying exhaust air to a remote filter building. These quantitative holdup estimates support the conclusion made at the completion of the Phase I measurements that only ducts servicing shut-down uranium operations contain about 400 g of fissile holdup. No ventilation ducts at Los Alamos contain sufficient fissile material holdup to present a criticality safety concern.

  16. Combining ray-tracing and FDTD to enable the simulation of complex optical devices in an iterative simulation process with reduced simulation effort

    NASA Astrophysics Data System (ADS)

    Leiner, Claude; Nemitz, Wolfgang; Schweitzer, Susanne; Wenzl, Franz P.; Peharz, Gerhard; Sommer, Christian

    2015-09-01

    The development of photonic multi-scale devices with tailor-made optical properties requires the control and the manipulation of light propagation within structures of different length scales, ranging from sub-wavelength to macroscopic dimensions. Unfortunately, applications of common optical simulation methods are usually restricted to particular size regimes. For this reason, a complete optical simulation of multi-scale devices can only be conducted by combining different simulation methods. In our previous work we already introduced an interface method that uses the Poynting vector to bridge between classical Ray-Tracing and the Finite-Difference-Time-Domain method to enable the simulation of suchlike devices. In this contribution we present and discuss a method to reduce the simulation effort and time consumption of this interface simulation process. This approach is based on an FDTD simulation concept for creating the matrices containing probability density distributions that are needed for the FDTD-RT interface simulations by using broadband frequency sources. With this new FDTD simulation concept, the number of simulations needed to create these matrices can be significantly decreased.

  17. Numerical simulation and analysis of complex patterns in a two-layer coupled reaction diffusion system

    NASA Astrophysics Data System (ADS)

    Li, Xin-Zheng; Bai, Zhan-Guo; Li, Yan; He, Ya-Feng; Zhao, Kun

    2015-04-01

    The resonance interaction between two modes is investigated using a two-layer coupled Brusselator model. When two different wavelength modes satisfy resonance conditions, new modes will appear, and a variety of superlattice patterns can be obtained in a short wavelength mode subsystem. We find that even though the wavenumbers of two Turing modes are fixed, the parameter changes have influences on wave intensity and pattern selection. When a hexagon pattern occurs in the short wavelength mode layer and a stripe pattern appears in the long wavelength mode layer, the Hopf instability may happen in a nonlinearly coupled model, and twinkling-eye hexagon and travelling hexagon patterns will be obtained. The symmetries of patterns resulting from the coupled modes may be different from those of their parents, such as the cluster hexagon pattern and square pattern. With the increase of perturbation and coupling intensity, the nonlinear system will convert between a static pattern and a dynamic pattern when the Turing instability and Hopf instability happen in the nonlinear system. Besides the wavenumber ratio and intensity ratio of the two different wavelength Turing modes, perturbation and coupling intensity play an important role in the pattern formation and selection. According to the simulation results, we find that two modes with different symmetries can also be in the spatial resonance under certain conditions, and complex patterns appear in the two-layer coupled reaction diffusion systems. Project supported by the National Natural Science Foundation of China (Grant No. 11247242), the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 51201057), and the Natural Science Foundation of Hebei Province, China (Grant No. A2014208171).

  18. Bourbaki's structure theory in the problem of complex systems simulation models synthesis and model-oriented programming

    NASA Astrophysics Data System (ADS)

    Brodsky, Yu. I.

    2015-01-01

    The work is devoted to the application of Bourbaki's structure theory to substantiate the synthesis of simulation models of complex multicomponent systems, where every component may be a complex system itself. An application of the Bourbaki's structure theory offers a new approach to the design and computer implementation of simulation models of complex multicomponent systems—model synthesis and model-oriented programming. It differs from the traditional object-oriented approach. The central concept of this new approach and at the same time, the basic building block for the construction of more complex structures is the concept of models-components. A model-component endowed with a more complicated structure than, for example, the object in the object-oriented analysis. This structure provides to the model-component an independent behavior-the ability of standard responds to standard requests of its internal and external environment. At the same time, the computer implementation of model-component's behavior is invariant under the integration of models-components into complexes. This fact allows one firstly to construct fractal models of any complexity, and secondly to implement a computational process of such constructions uniformly-by a single universal program. In addition, the proposed paradigm allows one to exclude imperative programming and to generate computer code with a high degree of parallelism.

  19. Optimization of the mechanical performance of a two-duct semicircular duct system--part 2: excitation of endolymph movements.

    PubMed

    Muller, M; Verhagen, J H G

    2002-06-21

    The endolymph flow inside the semicircular ducts is analytically investigated by considering a system of two hydrodynamically interconnected ducts. Rotation of this system adds an amount of motion (momentum) to parts of it. This results in an endolymph flow in generally all vestibular parts. The "external impulses" are the impulses which emerge by rotation of exclusively a particular vestibular part. The real impulses can be calculated from a set of equations which contain the external impulses. Analytical expressions are derived for the initial velocities in the ducts and for the maximum endolymph displacements. These formulae contain the external impulses and the ratios of: (1) the radii of crus commune and ducts (gamma), (2) the lengths of crus commune and ducts (lambda). It was proven that an interconnected system composed of two ducts, and also a system composed of two such semicircular duct systems, behaves as a pure rotation transducer (like a single duct does), also when it is rotated excentrically. Duct systems with polygonal and circular geometries were used to evaluate whether an optimal value of lambda would exist (gamma was already considered elsewhere). Optimum values of lambda in a range of about 0.10-0.52 were found. This rather wide range of values agrees with values from measurements. Optimization of an interconnected duct system appeared to be equal to optimization of a system composed of separate ducts. PMID:12151259

  20. Impact fracture behavior of HT9 duct

    SciTech Connect

    Huang, F.H.; Gelles, D.S.

    1994-07-01

    Ferritic alloys are known to undergo a ductile-brittle transition as the test temperature is decreased. This inherent problem has limited their applications to reactor component materials subjected to low neutron exposures. However, the excellent resistance to void swelling exhibited by these alloys has led to choosing the materials as candidate materials for fast and fusion reactor applications. Despite the ductile-brittle transition problem, results show that the materials exhibit superior resistance to fracture under very high neutron fluences at irradiation temperatures above 380{degrees}C. Impact testing on FFTF duct sections of HT9 indicates that HT9 ducts have adequate fracture toughness at much higher temperatures for handling operations at room temperature and refueling operations.