Role of IAC in large space systems thermal analysis

NASA Technical Reports Server (NTRS)

Jones, G. K.; Skladany, J. T.; Young, J. P.

1982-01-01

Computer analysis programs to evaluate critical coupling effects that can significantly influence spacecraft system performance are described. These coupling effects arise from the varied parameters of the spacecraft systems, environments, and forcing functions associated with disciplines such as thermal, structures, and controls. Adverse effects can be expected to significantly impact system design aspects such as structural integrity, controllability, and mission performance. One such needed design analysis capability is a software system that can integrate individual discipline computer codes into a highly user-oriented/interactive-graphics-based analysis capability. The integrated analysis capability (IAC) system can be viewed as: a core framework system which serves as an integrating base whereby users can readily add desired analysis modules and as a self-contained interdisciplinary system analysis capability having a specific set of fully integrated multidisciplinary analysis programs that deal with the coupling of thermal, structures, controls, antenna radiation performance, and instrument optical performance disciplines.

FULLY COUPLED "ONLINE" CHEMISTRY WITHIN THE WRF MODEL

EPA Science Inventory

A fully coupled "online" Weather Research and Forecasting/Chemistry (WRF/Chem) model has been developed. The air quality component of the model is fully consistent with the meteorological component; both components use the same transport scheme (mass and scalar preserving), the s...

Computational fluid-structure interaction: methods and application to a total cavopulmonary connection

NASA Astrophysics Data System (ADS)

Bazilevs, Yuri; Hsu, M.-C.; Benson, D. J.; Sankaran, S.; Marsden, A. L.

2009-12-01

The Fontan procedure is a surgery that is performed on single-ventricle heart patients, and, due to the wide range of anatomies and variations among patients, lends itself nicely to study by advanced numerical methods. We focus on a patient-specific Fontan configuration, and perform a fully coupled fluid-structure interaction (FSI) analysis of hemodynamics and vessel wall motion. To enable physiologically realistic simulations, a simple approach to constructing a variable-thickness blood vessel wall description is proposed. Rest and exercise conditions are simulated and rigid versus flexible vessel wall simulation results are compared. We conclude that flexible wall modeling plays an important role in predicting quantities of hemodynamic interest in the Fontan connection. To the best of our knowledge, this paper presents the first three-dimensional patient-specific fully coupled FSI analysis of a total cavopulmonary connection that also includes large portions of the pulmonary circulation.

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

Li, Zhiying; Heller, Eric J.; Krems, Roman V.

We explore the collision dynamics of complex hydrocarbon molecules (benzene, coronene, adamantane, and anthracene) containing carbon rings in a cold buffer gas of {sup 3}He. For benzene, we present a comparative analysis of the fully classical and fully quantum calculations of elastic and inelastic scattering cross sections at collision energies between 1 and 10 cm{sup −1}. The quantum calculations are performed using the time-independent coupled channel approach and the coupled-states approximation. We show that the coupled-states approximation is accurate at collision energies between 1 and 20 cm{sup −1}. For the classical dynamics calculations, we develop an approach exploiting the rigiditymore » of the carbon rings and including low-energy vibrational modes without holonomic constraints. Our results illustrate the effect of the molecular shape and the vibrational degrees of freedom on the formation of long-lived resonance states that lead to low-temperature clustering.« less

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems.

PubMed

Mahadevan, Vijay S; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-08-06

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

PubMed Central

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-01-01

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework. PMID:24982250

Fully Coupled Aero-Thermochemical-Elastic Simulations of an Eroding Graphite Nozzle

NASA Technical Reports Server (NTRS)

Blades, E. L.; Reveles, N. D.; Nucci, M.; Maclean, M.

2017-01-01

A multiphysics simulation capability has been developed that incorporates mutual interactions between aerodynamics, structural response from aero/thermal loading, ablation/pyrolysis, heating, and surface-to-surface radiation to perform high-fidelity, fully coupled aerothermoelastic ablation simulations, which to date had been unattainable. The multiphysics framework couples CHAR (a 3-D implicit charring ablator solver), Loci/CHEM (a computational fluid dynamics solver for high-speed chemically reacting flows), and Abaqus (a nonlinear structural dynamics solver) to create a fully coupled aerothermoelastic charring ablative solver. The solvers are tightly coupled in a fully integrated fashion to resolve the effects of the ablation pyrolysis and charring process and chemistry products upon the flow field, the changes in surface geometry due to recession upon the flow field, and thermal-structural analysis of the body from the induced aerodynamic heating from the flow field. The multiphysics framework was successfully demonstrated on a solid rocket motor graphite nozzle erosion application. Comparisons were made with available experimental data that measured the throat erosion during the motor firing. The erosion data is well characterized, as the test rig was equipped with a windowed nozzle section for real-time X-ray radiography diagnostics of the instantaneous throat variations for deducing the instantaneous erosion rates. The nozzle initially undergoes a nozzle contraction due to thermal expansion before ablation effects are able to widen the throat. A series of parameters studies were conducted using the coupled simulation capability to determine the sensitivity of the nozzle erosion to different parameters. The parameter studies included the shape of the nozzle throat (flat versus rounded), the material properties, the effect of the choice of turbulence model, and the inclusion or exclusion of the mechanical thermal expansion. Overall, the predicted results match the experiment very well, and the predictions were able to bound the data within acceptable limits.

Modeling meander morphodynamics over self-formed heterogeneous floodplains

NASA Astrophysics Data System (ADS)

Bogoni, Manuel; Putti, Mario; Lanzoni, Stefano

2017-06-01

This work addresses the signatures embedded in the planform geometry of meandering rivers consequent to the formation of floodplain heterogeneities as the river bends migrate. Two geomorphic features are specifically considered: scroll bars produced by lateral accretion of point bars at convex banks and oxbow lake fills consequent to neck cutoffs. The sedimentary architecture of these geomorphic units depends on the type and amount of sediment, and controls bank erodibility as the river impinges on them, favoring or contrasting the river migration. The geometry of numerically generated planforms obtained for different scenarios of floodplain heterogeneity is compared to that of natural meandering paths. Half meander metrics and spatial distribution of channel curvatures are used to disclose the complexity embedded in meandering geometry. Fourier Analysis, Principal Component Analysis, Singular Spectrum Analysis and Multivariate Singular Spectrum Analysis are used to emphasize the subtle but crucial differences which may emerge between apparently similar configurations. A closer similarity between observed and simulated planforms is attained when fully coupling flow and sediment dynamics (fully-coupled models) and when considering self-formed heterogeneities that are less erodible than the surrounding floodplain.

A fully coupled variable properties thermohydraulic model for a cryogenic hydrostatic journal bearing

NASA Technical Reports Server (NTRS)

Braun, M. J.; Wheeler, R. L., III; Hendricks, R. C.

1986-01-01

The goal set forth here is to continue the work started by Braun et al. (1984-1985) and present an integrated analysis of the behavior of the two row, 20 staggered pockets, hydrostatic cryogenic bearing used by the turbopumps of the Space Shuttle main engine. The variable properties Reynolds equation is fully coupled with the two-dimensional fluid film energy equation. The three-dimensional equations of the shaft and bushing model the boundary conditions of the fluid film energy equation. The effects of shaft eccentricity, angular velocity, and inertia pressure drops at pocket edge are incorporated in the model. Their effects on the bearing fluid properties, load carrying capacity, mass flow, pressure, velocity, and temperature form the ultimate object of this paper.

Approach to Modeling Boundary Layer Ingestion Using a Fully Coupled Propulsion-RANS Model

NASA Technical Reports Server (NTRS)

Gray, Justin S.; Mader, Charles A.; Kenway, Gaetan K. W.; Martins, Joaquim R. R. A.

2017-01-01

Airframe-propulsion integration concepts that use boundary layer ingestion have the potential to reduce aircraft fuel burn. One concept that has been recently explored is NASA's Starc-ABL aircraft configuration, which offers the potential for 12% mission fuel burn reduction by using a turbo-electric propulsion system with an aft-mounted electrically driven boundary layer ingestion propulsor. This large potential for improved performance motivates a more detailed study of the boundary layer ingestion propulsor design, but to date, analyses of boundary layer ingestion have used uncoupled methods. These methods account for only aerodynamic effects on the propulsion system or propulsion system effects on the aerodynamics, but not both simultaneously. This work presents a new approach for building fully coupled propulsive-aerodynamic models of boundary layer ingestion propulsion systems. A 1D thermodynamic cycle analysis is coupled to a RANS simulation to model the Starc-ABL aft propulsor at a cruise condition and the effects variation in propulsor design on performance are examined. The results indicates that both propulsion and aerodynamic effects contribute equally toward the overall performance and that the fully coupled model yields substantially different results compared to uncoupled. The most significant finding is that boundary layer ingestion, while offering substantial fuel burn savings, introduces throttle dependent aerodynamics effects that need to be accounted for. This work represents a first step toward the multidisciplinary design optimization of boundary layer ingestion propulsion systems.

Earth-moon system: Dynamics and parameter estimation

NASA Technical Reports Server (NTRS)

Breedlove, W. J., Jr.

1975-01-01

A theoretical development of the equations of motion governing the earth-moon system is presented. The earth and moon were treated as finite rigid bodies and a mutual potential was utilized. The sun and remaining planets were treated as particles. Relativistic, non-rigid, and dissipative effects were not included. The translational and rotational motion of the earth and moon were derived in a fully coupled set of equations. Euler parameters were used to model the rotational motions. The mathematical model is intended for use with data analysis software to estimate physical parameters of the earth-moon system using primarily LURE type data. Two program listings are included. Program ANEAMO computes the translational/rotational motion of the earth and moon from analytical solutions. Program RIGEM numerically integrates the fully coupled motions as described above.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

DOE PAGES

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; ...

2014-06-30

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in ordermore » to reduce the overall numerical uncertainty while leveraging available computational resources. Finally, the coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.« less

Development of an Aeroelastic Modeling Capability for Transient Nozzle Side Load Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2013-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development. Currently there is no fully coupled computational tool to analyze this fluid/structure interaction process. The objective of this study was to develop a fully coupled aeroelastic modeling capability to describe the fluid/structure interaction process during the transient nozzle operations. The aeroelastic model composes of three components: the computational fluid dynamics component based on an unstructured-grid, pressure-based computational fluid dynamics formulation, the computational structural dynamics component developed in the framework of modal analysis, and the fluid-structural interface component. The developed aeroelastic model was applied to the transient nozzle startup process of the Space Shuttle Main Engine at sea level. The computed nozzle side loads and the axial nozzle wall pressure profiles from the aeroelastic nozzle are compared with those of the published rigid nozzle results, and the impact of the fluid/structure interaction on nozzle side loads is interrogated and presented.

Clustering and phase synchronization in populations of coupled phase oscillators

NASA Astrophysics Data System (ADS)

Cascallares, Guadalupe; Gleiser, Pablo M.

2015-10-01

In many species daily rhythms are endogenously generated by groups of coupled neurons that play the role of a circadian pacemaker. The adaptation of the circadian clock to environmental and seasonal changes has been proposed to be regulated by a dual oscillator system. In order to gain insight into this model, we analyzed the synchronization properties of two fully coupled groups of Kuramoto oscillators. Each group has an internal coupling parameter and the interaction between the two groups can be controlled by two parameters allowing for symmetric or non-symmetric coupling. We show that even for such a simple model counterintuitive behaviours take place, such as a global decrease in synchrony when the coupling between the groups is increased. Through a detailed analysis of the local synchronization processes we explain this behaviour.

Strong Coupling of Epsilon-Near-Zero Phonon Polaritons in Polar Dielectric Heterostructures.

PubMed

Passler, Nikolai Christian; Gubbin, Christopher R; Folland, Thomas Graeme; Razdolski, Ilya; Katzer, D Scott; Storm, David F; Wolf, Martin; De Liberato, Simone; Caldwell, Joshua D; Paarmann, Alexander

2018-06-18

We report the first observation of epsilon-near-zero (ENZ) phonon polaritons in an ultrathin AlN film fully hybridized with surface phonon polaritons (SPhP) supported by the adjacent SiC substrate. Employing a strong coupling model for the analysis of the dispersion and electric field distribution in these hybridized modes, we show that they share the most prominent features of the two precursor modes. The novel ENZ-SPhP coupled polaritons with a highly propagative character and deeply subwavelength light confinement can be utilized as building blocks for future infrared and terahertz nanophotonic integration and communication devices.

An Assessment of the State-of-the-Art in Multidisciplinary Aeromechanical Analyses

DTIC Science & Technology

2008-01-01

monolithic formulations. In summary, for aerospace structures, partitioned formulations provide fundamental advantages over fully coupled ones, in addition...important frequencies of local analysis directly to global analysis using detailed modeling. Performed ju- diciously, based on a fundamental understanding of...in 2000 has com- prehensively described the problem, and reviewed the status of fundamental understanding, experimental data, and analytical

Analysis of Partitioned Methods for the Biot System

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

Bukac, Martina; Layton, William; Moraiti, Marina

2015-02-18

In this work, we present a comprehensive study of several partitioned methods for the coupling of flow and mechanics. We derive energy estimates for each method for the fully-discrete problem. We write the obtained stability conditions in terms of a key control parameter defined as a ratio of the coupling strength and the speed of propagation. Depending on the parameters in the problem, give the choice of the partitioned method which allows the largest time step. (C) 2015 Wiley Periodicals, Inc.

Recoupling Industrial Dairy Feedlots and Industrial Farmlands Mitigates the Environmental Impacts of Milk Production in China.

PubMed

Fan, Xing; Chang, Jie; Ren, Yuan; Wu, Xu; Du, Yuanyuan; Xu, Ronghua; Liu, Dong; Chang, Scott X; Meyerson, Laura A; Peng, Changhui; Ge, Ying

2018-04-03

Dairy production is becoming more industrialized globally, especially in developing countries. The large amount of animal wastes from industrial feedlots cannot be fully used on nearby farmlands, leading to severe environmental problems. Using China as a case study, we found that most dairy feedlots employ a semicoupled mode that only recycles solid manure to farmlands, and only a few dairy feedlots employ a fully coupled mode that recycles both solid and liquid animal manure. To produce 1 ton of milk, the fully coupled mode could reduce greenhouse gas (including carbon dioxide, methane, and nitrous oxide in this paper) emissions by 24%, ammonia emissions by 14%, and N discharge into water by 29%, compared with the semicoupled systems. Coupling feedlots with constructed wetlands can further result in greater mitigation of N leaching into groundwater. However, the fully coupled system has not been widely used due to the low benefit to farmers and the institutional barrier that the feedlot owners have no right to use adjacent farmlands. Since a fully coupled system improves net ecosystem services that favor the public, a policy that supports removing the economic and institutional barriers is necessary. Our approach provides a template for mitigating environmental impacts from livestock production without sacrificing milk production.

A mass-energy preserving Galerkin FEM for the coupled nonlinear fractional Schrödinger equations

NASA Astrophysics Data System (ADS)

Zhang, Guoyu; Huang, Chengming; Li, Meng

2018-04-01

We consider the numerical simulation of the coupled nonlinear space fractional Schrödinger equations. Based on the Galerkin finite element method in space and the Crank-Nicolson (CN) difference method in time, a fully discrete scheme is constructed. Firstly, we focus on a rigorous analysis of conservation laws for the discrete system. The definitions of discrete mass and energy here correspond with the original ones in physics. Then, we prove that the fully discrete system is uniquely solvable. Moreover, we consider the unconditionally convergent properties (that is to say, we complete the error estimates without any mesh ratio restriction). We derive L2-norm error estimates for the nonlinear equations and L^{∞}-norm error estimates for the linear equations. Finally, some numerical experiments are included showing results in agreement with the theoretical predictions.

Towards a Fine-Resolution Global Coupled Climate System for Prediction on Decadal/Centennial Scales

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

McClean, Julie L.

The over-arching goal of this project was to contribute to the realization of a fully coupled fine resolution Earth System Model simulation in which a weather-scale atmosphere is coupled to an ocean in which mesoscale eddies are largely resolved. Both a prototype fine-resolution fully coupled ESM simulation and a first-ever multi-decadal forced fine-resolution global coupled ocean/ice simulation were configured, tested, run, and analyzed as part of this grant. Science questions focused on the gains from the use of high horizontal resolution, particularly in the ocean and sea-ice, with respect to climatically important processes. Both these fine resolution coupled ocean/sea icemore » and fully-coupled simulations and precedent stand-alone eddy-resolving ocean and eddy-permitting coupled ocean/ice simulations were used to explore the high resolution regime. Overall, these studies showed that the presence of mesoscale eddies significantly impacted mixing processes and the global meridional overturning circulation in the ocean simulations. Fourteen refereed publications and a Ph.D. dissertation resulted from this grant.« less

Coupled thermal-fluid-mechanics analysis of twin roll casting of A7075 aluminum alloy

NASA Astrophysics Data System (ADS)

Lee, Yun-Soo; Kim, Hyoung-Wook; Cho, Jae-Hyung; Chun, Se-Hwan

2017-09-01

Better understanding of temperature distribution and roll separation force during twin roll casting of aluminum alloys is critical to successfully fabricate good quality of aluminum strips. Therefore, the simulation techniques are widely applied to understand the twin roll casting process in a comprehensive way and to reduce the experimental time and cost of trial and error. However, most of the conventional approaches are considered thermally coupled flow, or thermally coupled mechanical behaviors. In this study, a fully coupled thermal-fluid-mechanical analysis of twin roll casting of A7075 aluminum strips was carried out using the finite element method. Temperature profile, liquid fraction and metal flow of aluminum strips with different thickness were predicted. Roll separation force and roll temperatures were experimentally obtained from a pilot-scale twin roll caster, and those results were compared with model predictions. Coupling the fluid of the liquid melt to the thermal and mechanical modeling reasonably predicted roll temperature distribution and roll separation force during twin roll casting.

Dpf Analyses Yield Fully Analytic Potentials for the B ^1Πu ``BARRIER'' States of {Rb}_2 and {Li}_2 and AN Improved Ground-State Well Depth for {Rb}_2

NASA Astrophysics Data System (ADS)

Slaughter, Kai; Dattani, Nikesh S.; Amiot, Claude S.; Ross, Amanda J.; Le Roy, Robert J.

2015-06-01

Determining full model potential energy functions for molecular states that have a `natural' rotationless barrier which protrudes above the potential asymptote, such as the B ^1Π_u states of alkali dimers, is a challenging problem. The present work extends our previous Direct-Potential-Fit (DPF) analysis of data for the B ^1Π_u state of Li_2 by introducing a more sophisticated model for the long-range tail of the fully analytic `Double Exponential Long-Range' (DELR) potential function form^a that takes account of the interstate coupling that occurs near the asymptotes of nS+nP alkali dimers. This type of analysis is then applied to data for the B ^1Π_u state of Rb_2, and a concurrent extension of the DPF analysis of Seto and Le Roy yields an improved fully analytic potential energy function for its ground X ^1σ_g^+ state. The effect of taking account of the long-range inter-state coupling on the shapes of the outer walls of the B ^1Π_u state potential functions for these two species will also be examined. Y. Huang and R.J. Le Roy, J. Chem. Phys., 119, 7398 (2003) M. Aubert-Frécon and G. Hadinger and S. Magnier and S. Rousseau, J. Mol. Spectosc., 288, 182 (1998). J.Y. Seto and R.J. Le Roy, J. Chem. Phys., 113, 3067 (2000).

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE PAGES

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.; ...

2016-09-18

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

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

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

Evidence of weak land-atmosphere coupling under varying bare soil conditions: Are fully coupled Darcy/Navier-Stokes models necessary for simulating soil moisture dynamics?

NASA Astrophysics Data System (ADS)

Illangasekare, T. H.; Trautz, A. C.; Howington, S. E.; Cihan, A.

2017-12-01

It is a well-established fact that the land and atmosphere form a continuum in which the individual domains are coupled by heat and mass transfer processes such as bare-soil evaporation. Soil moisture dynamics can be simulated at the representative elementary volume (REV) scale using decoupled and fully coupled Darcy/Navier-Stokes models. Decoupled modeling is an asynchronous approach in which flow and transport in the soil and atmosphere is simulated independently; the two domains are coupled out of time-step via prescribed flux parameterizations. Fully coupled modeling in contrast, solves the governing equations for flow and transport in both domains simultaneously with the use of coupling interface boundary conditions. This latter approach, while being able to provide real-time two-dimensional feedbacks, is considerably more complex and computationally intensive. In this study, we investigate whether fully coupled models are necessary, or if the simpler decoupled models can sufficiently capture soil moisture dynamics under varying land preparations. A series of intermediate-scale physical and numerical experiments were conducted in which soil moisture distributions and evaporation estimates were monitored at high spatiotemporal resolutions for different heterogeneous packing and soil roughness scenarios. All experimentation was conducted at the newly developed Center for Experimental Study of Subsurface Environmental Processes (CESEP) wind tunnel-porous media user test-facility at the Colorado School of. Near-surface atmospheric measurements made during the experiments demonstrate that the land-atmosphere coupling was relatively weak and insensitive to the applied edaphic and surface conditions. Simulations with a decoupled multiphase heat and mass transfer model similarly show little sensitivity to local variations in atmospheric forcing; a single, simple flux parameterization can sufficiently capture the soil moisture dynamics (evaporation and redistribution) as long as the subsurface conditions (i.e., heterogeneity) are properly described. These findings suggest that significant improvements to simulations results should not be expected if fully coupled modeling were adopted in scenarios of weak land-atmosphere coupling in the context of bare soil evaporation.

A Scalable, Parallel Approach for Multi-Point, High-Fidelity Aerostructural Optimization of Aircraft Configurations

NASA Astrophysics Data System (ADS)

Kenway, Gaetan K. W.

This thesis presents new tools and techniques developed to address the challenging problem of high-fidelity aerostructural optimization with respect to large numbers of design variables. A new mesh-movement scheme is developed that is both computationally efficient and sufficiently robust to accommodate large geometric design changes and aerostructural deformations. A fully coupled Newton-Krylov method is presented that accelerates the convergence of aerostructural systems and provides a 20% performance improvement over the traditional nonlinear block Gauss-Seidel approach and can handle more exible structures. A coupled adjoint method is used that efficiently computes derivatives for a gradient-based optimization algorithm. The implementation uses only machine accurate derivative techniques and is verified to yield fully consistent derivatives by comparing against the complex step method. The fully-coupled large-scale coupled adjoint solution method is shown to have 30% better performance than the segregated approach. The parallel scalability of the coupled adjoint technique is demonstrated on an Euler Computational Fluid Dynamics (CFD) model with more than 80 million state variables coupled to a detailed structural finite-element model of the wing with more than 1 million degrees of freedom. Multi-point high-fidelity aerostructural optimizations of a long-range wide-body, transonic transport aircraft configuration are performed using the developed techniques. The aerostructural analysis employs Euler CFD with a 2 million cell mesh and a structural finite element model with 300 000 DOF. Two design optimization problems are solved: one where takeoff gross weight is minimized, and another where fuel burn is minimized. Each optimization uses a multi-point formulation with 5 cruise conditions and 2 maneuver conditions. The optimization problems have 476 design variables are optimal results are obtained within 36 hours of wall time using 435 processors. The TOGW minimization results in a 4.2% reduction in TOGW with a 6.6% fuel burn reduction, while the fuel burn optimization resulted in a 11.2% fuel burn reduction with no change to the takeoff gross weight.

Thermal shaft effects on load-carrying capacity of a fully coupled, variable-properties cryogenic journal bearing

NASA Technical Reports Server (NTRS)

Braun, M. J.; Wheeler, R. L., III; Hendricks, R. C.

1986-01-01

The purpose of this work was to perform a rather complete analysis for a cryogenic (oxygen) journal bearing. The Reynolds equation required coupling and simultaneous solution with the fluid energy equation. To correctly account for the changes in the fluid viscosity, the fluid energy equation was coupled with the shaft and bearing heat conduction energy equations. The effects of pressure and temperature on the density, viscosity, and load-carrying capacity were further discussed as analysis parameters, with respect to relative eccentricity and the angular velocity. The isothermal fluid case and the adiabatic fluid case represented the limiting boundaries. The discussion was further extrapolated to study the Sommerfeld number dependency on the fluid Nusselt number and its consequence on possible total loss of load-carrying capacity and/or seizure (catastrophic failure).

Reactive Transport Modeling of Induced Calcite Precipitation Reaction Fronts in Porous Media Using A Parallel, Fully Coupled, Fully Implicit Approach

NASA Astrophysics Data System (ADS)

Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.; Fox, D. T.; Fujita, Y.

2010-12-01

Inducing mineral precipitation in the subsurface is one potential strategy for immobilizing trace metal and radionuclide contaminants. Generating mineral precipitates in situ can be achieved by manipulating chemical conditions, typically through injection or in situ generation of reactants. How these reactants transport, mix and react within the medium controls the spatial distribution and composition of the resulting mineral phases. Multiple processes, including fluid flow, dispersive/diffusive transport of reactants, biogeochemical reactions and changes in porosity-permeability, are tightly coupled over a number of scales. Numerical modeling can be used to investigate the nonlinear coupling effects of these processes which are quite challenging to explore experimentally. Many subsurface reactive transport simulators employ a de-coupled or operator-splitting approach where transport equations and batch chemistry reactions are solved sequentially. However, such an approach has limited applicability for biogeochemical systems with fast kinetics and strong coupling between chemical reactions and medium properties. A massively parallel, fully coupled, fully implicit Reactive Transport simulator (referred to as “RAT”) based on a parallel multi-physics object-oriented simulation framework (MOOSE) has been developed at the Idaho National Laboratory. Within this simulator, systems of transport and reaction equations can be solved simultaneously in a fully coupled, fully implicit manner using the Jacobian Free Newton-Krylov (JFNK) method with additional advanced computing capabilities such as (1) physics-based preconditioning for solution convergence acceleration, (2) massively parallel computing and scalability, and (3) adaptive mesh refinements for 2D and 3D structured and unstructured mesh. The simulator was first tested against analytical solutions, then applied to simulating induced calcium carbonate mineral precipitation in 1D columns and 2D flow cells as analogs to homogeneous and heterogeneous porous media, respectively. In 1D columns, calcium carbonate mineral precipitation was driven by urea hydrolysis catalyzed by urease enzyme, and in 2D flow cells, calcium carbonate mineral forming reactants were injected sequentially, forming migrating reaction fronts that are typically highly nonuniform. The RAT simulation results for the spatial and temporal distributions of precipitates, reaction rates and major species in the system, and also for changes in porosity and permeability, were compared to both laboratory experimental data and computational results obtained using other reactive transport simulators. The comparisons demonstrate the ability of RAT to simulate complex nonlinear systems and the advantages of fully coupled approaches, over de-coupled methods, for accurate simulation of complex, dynamic processes such as engineered mineral precipitation in subsurface environments.

Analysis of longitudinal multivariate outcome data from couples cohort studies: application to HPV transmission dynamics

PubMed Central

Kong, Xiangrong; Wang, Mei-Cheng; Gray, Ronald

2014-01-01

We consider a specific situation of correlated data where multiple outcomes are repeatedly measured on each member of a couple. Such multivariate longitudinal data from couples may exhibit multi-faceted correlations which can be further complicated if there are polygamous partnerships. An example is data from cohort studies on human papillomavirus (HPV) transmission dynamics in heterosexual couples. HPV is a common sexually transmitted disease with 14 known oncogenic types causing anogenital cancers. The binary outcomes on the multiple types measured in couples over time may introduce inter-type, intra-couple, and temporal correlations. Simple analysis using generalized estimating equations or random effects models lacks interpretability and cannot fully utilize the available information. We developed a hybrid modeling strategy using Markov transition models together with pairwise composite likelihood for analyzing such data. The method can be used to identify risk factors associated with HPV transmission and persistence, estimate difference in risks between male-to-female and female-to-male HPV transmission, compare type-specific transmission risks within couples, and characterize the inter-type and intra-couple associations. Applying the method to HPV couple data collected in a Ugandan male circumcision (MC) trial, we assessed the effect of MC and the role of gender on risks of HPV transmission and persistence. PMID:26195849

A coupled analytical model for hydrostatic response of 1-3 piezocomposites.

PubMed

Rajapakse, Nimal; Chen, Yue

2008-08-01

This study presents a fully coupled analysis of a unit cell of a 1-3 piezocomposite under hydrostatic loading. The governing equations for coupled axisymmetric electroelastic field of a transversely isotropic piezoelectric medium and a transversely isotropic elastic medium are used. A reduced form of the analytical general solutions expressed in terms of series of modified Bessel functions of the first and second kind are used. The solution of the boundary-value problem corresponding to a unit cell is presented. The effective properties of a 1-3 piezocomposite are obtained for different fiber volume fractions, polymer and piezoceramic properties, and fiber aspect ratios. Comparisons with previously reported simplified and uncoupled models are made.

Statistical analysis of the pulse-coupled synchronization strategy for wireless sensor networks

PubMed Central

Wang, Yongqiang; Núñez, Felipe; Doyle, Francis J.

2013-01-01

Pulse-coupled synchronization is attracting increased attention in the sensor network community. Yet its properties have not been fully investigated. Using statistical analysis, we prove analytically that by controlling the number of connections at each node, synchronization can be guaranteed for generally pulse-coupled oscillators even in the presence of a refractory period. The approach does not require the initial phases to reside in half an oscillation cycle, which improves existing results. We also find that a refractory period can be strategically included to reduce idle listening at nearly no sacrifice to the synchronization probability. Given that reduced idle listening leads to higher energy efficiency in the synchronization process, the strategically added refractory period makes the synchronization scheme appealing to cheap sensor nodes, where energy is a precious system resource. We also analyzed the pulse-coupled synchronization in the presence of unreliable communication links and obtained similar results. QualNet experimental results are given to confirm the effectiveness of the theoretical predictions. PMID:24324322

Small Displacement Coupled Analysis of Concrete Gravity Dam Foundations: Static and Dynamic Conditions

NASA Astrophysics Data System (ADS)

Farinha, Maria Luísa Braga; Azevedo, Nuno Monteiro; Candeias, Mariline

2017-02-01

The explicit formulation of a small displacement model for the coupled hydro-mechanical analysis of concrete gravity dam foundations based on joint finite elements is presented. The proposed coupled model requires a thorough pre-processing stage in order to ensure that the interaction between the various blocks which represent both the rock mass foundation and the dam is always edge to edge. The mechanical part of the model, though limited to small displacements, has the advantage of allowing an accurate representation of the stress distribution along the interfaces, such as rock mass joints. The hydraulic part and the mechanical part of the model are fully compatible. The coupled model is validated using a real case of a dam in operation, by comparison of the results with those obtained with a large displacement discrete model. It is shown that it is possible to assess the sliding stability of concrete gravity dams using small displacement models under both static and dynamic conditions.

Coupled atmosphere-ocean-wave simulations of a storm event over the Gulf of Lion and Balearic Sea

USGS Publications Warehouse

Renault, Lionel; Chiggiato, Jacopo; Warner, John C.; Gomez, Marta; Vizoso, Guillermo; Tintore, Joaquin

2012-01-01

The coastal areas of the North-Western Mediterranean Sea are one of the most challenging places for ocean forecasting. This region is exposed to severe storms events that are of short duration. During these events, significant air-sea interactions, strong winds and large sea-state can have catastrophic consequences in the coastal areas. To investigate these air-sea interactions and the oceanic response to such events, we implemented the Coupled Ocean-Atmosphere-Wave-Sediment Transport Modeling System simulating a severe storm in the Mediterranean Sea that occurred in May 2010. During this event, wind speed reached up to 25 m.s-1 inducing significant sea surface cooling (up to 2°C) over the Gulf of Lion (GoL) and along the storm track, and generating surface waves with a significant height of 6 m. It is shown that the event, associated with a cyclogenesis between the Balearic Islands and the GoL, is relatively well reproduced by the coupled system. A surface heat budget analysis showed that ocean vertical mixing was a major contributor to the cooling tendency along the storm track and in the GoL where turbulent heat fluxes also played an important role. Sensitivity experiments on the ocean-atmosphere coupling suggested that the coupled system is sensitive to the momentum flux parameterization as well as air-sea and air-wave coupling. Comparisons with available atmospheric and oceanic observations showed that the use of the fully coupled system provides the most skillful simulation, illustrating the benefit of using a fully coupled ocean-atmosphere-wave model for the assessment of these storm events.

Exploring the Inner Edge of the Habitable Zone with Fully Coupled Oceans

NASA Technical Reports Server (NTRS)

Way, M.J; Del Genio, A.D.; Kelley, M.; Aleinov, I.; Clune, T.

2015-01-01

The role of rotation in planetary atmospheres plays an important role in regulating atmospheric and oceanic heat flow, cloud formation and precipitation. Using the Goddard Institute for Space Studies (GISS) three dimension General Circulation Model (3D-GCM) we demonstrate how varying rotation rate and increasing the incident solar flux on a planet are related to each other and may allow the inner edge of the habitable zone to be much closer than many previous habitable zone studies have indicated. This is shown in particular for fully coupled ocean runs -- some of the first that have been utilized in this context. Results with a 100m mixed layer depth and our fully coupled ocean runs are compared with those of Yang et al. 2014, which demonstrates consistency across models. However, there are clear differences for rotations rates of 1-16x present earth day lengths between the mixed layer and fully couple ocean models, which points to the necessity of using fully coupled oceans whenever possible. The latter was recently demonstrated quite clearly by Hu & Yang 2014 in their aquaworld study with a fully coupled ocean when compared with similar mixed layer ocean studies and by Cullum et al. 2014. Atmospheric constituent amounts were also varied alongside adjustments to cloud parameterizations (results not shown here). While the latter have an effect on what a planet's global mean temperature is once the oceans reach equilibrium they do not qualitatively change the overall relationship between the globally averaged surface temperature and incident solar flux for rotation rates ranging from 1 to 256 times the present Earth day length. At the same time this study demonstrates that given the lack of knowledge about the atmospheric constituents and clouds on exoplanets there is still a large uncertainty as to where a planet will sit in a given star's habitable zone.

Beyond the Education Silo? Tackling Adolescent Secondary Education in Rural India

ERIC Educational Resources Information Center

Kelly, Orla; Bhabha, Jacqueline

2014-01-01

In this paper we examine the factors contributing to gender inequality in secondary schooling in India by critically reviewing the government's secondary education policy. Drawing on the findings of a study in rural Gujarat, we couple this analysis with an examination of the gendered dynamics that restrict girls' ability to fully benefit from the…

Finite element modeling of truss structures with frequency-dependent material damping

NASA Technical Reports Server (NTRS)

Lesieutre, George A.

1991-01-01

A physically motivated modelling technique for structural dynamic analysis that accommodates frequency dependent material damping was developed. Key features of the technique are the introduction of augmenting thermodynamic fields (AFT) to interact with the usual mechanical displacement field, and the treatment of the resulting coupled governing equations using finite element analysis methods. The AFT method is fully compatible with current structural finite element analysis techniques. The method is demonstrated in the dynamic analysis of a 10-bay planar truss structure, a structure representative of those contemplated for use in future space systems.

Insights in time dependent cross compartment sensitivities from ensemble simulations with the fully coupled subsurface-land surface-atmosphere model TerrSysMP

NASA Astrophysics Data System (ADS)

Schalge, Bernd; Rihani, Jehan; Haese, Barbara; Baroni, Gabriele; Erdal, Daniel; Haefliger, Vincent; Lange, Natascha; Neuweiler, Insa; Hendricks-Franssen, Harrie-Jan; Geppert, Gernot; Ament, Felix; Kollet, Stefan; Cirpka, Olaf; Saavedra, Pablo; Han, Xujun; Attinger, Sabine; Kunstmann, Harald; Vereecken, Harry; Simmer, Clemens

2017-04-01

Currently, an integrated approach to simulating the earth system is evolving where several compartment models are coupled to achieve the best possible physically consistent representation. We used the model TerrSysMP, which fully couples subsurface, land surface and atmosphere, in a synthetic study that mimicked the Neckar catchment in Southern Germany. A virtual reality run at a high resolution of 400m for the land surface and subsurface and 1.1km for the atmosphere was made. Ensemble runs at a lower resolution (800m for the land surface and subsurface) were also made. The ensemble was generated by varying soil and vegetation parameters and lateral atmospheric forcing among the different ensemble members in a systematic way. It was found that the ensemble runs deviated for some variables and some time periods largely from the virtual reality reference run (the reference run was not covered by the ensemble), which could be related to the different model resolutions. This was for example the case for river discharge in the summer. We also analyzed the spread of model states as function of time and found clear relations between the spread and the time of the year and weather conditions. For example, the ensemble spread of latent heat flux related to uncertain soil parameters was larger under dry soil conditions than under wet soil conditions. Another example is that the ensemble spread of atmospheric states was more influenced by uncertain soil and vegetation parameters under conditions of low air pressure gradients (in summer) than under conditions with larger air pressure gradients in winter. The analysis of the ensemble of fully coupled model simulations provided valuable insights in the dynamics of land-atmosphere feedbacks which we will further highlight in the presentation.

Fully Coupled Nonlinear Fluid Flow and Poroelasticity in Arbitrarily Fractured Porous Media: A Hybrid-Dimensional Computational Model

NASA Astrophysics Data System (ADS)

Jin, L.; Zoback, M. D.

2017-10-01

We formulate the problem of fully coupled transient fluid flow and quasi-static poroelasticity in arbitrarily fractured, deformable porous media saturated with a single-phase compressible fluid. The fractures we consider are hydraulically highly conductive, allowing discontinuous fluid flux across them; mechanically, they act as finite-thickness shear deformation zones prior to failure (i.e., nonslipping and nonpropagating), leading to "apparent discontinuity" in strain and stress across them. Local nonlinearity arising from pressure-dependent permeability of fractures is also included. Taking advantage of typically high aspect ratio of a fracture, we do not resolve transversal variations and instead assume uniform flow velocity and simple shear strain within each fracture, rendering the coupled problem numerically more tractable. Fractures are discretized as lower dimensional zero-thickness elements tangentially conforming to unstructured matrix elements. A hybrid-dimensional, equal-low-order, two-field mixed finite element method is developed, which is free from stability issues for a drained coupled system. The fully implicit backward Euler scheme is employed for advancing the fully coupled solution in time, and the Newton-Raphson scheme is implemented for linearization. We show that the fully discretized system retains a canonical form of a fracture-free poromechanical problem; the effect of fractures is translated to the modification of some existing terms as well as the addition of several terms to the capacity, conductivity, and stiffness matrices therefore allowing the development of independent subroutines for treating fractures within a standard computational framework. Our computational model provides more realistic inputs for some fracture-dominated poromechanical problems like fluid-induced seismicity.

Cross-compartment evaluation of a fully-coupled hydrometeorological modeling system using comprehensive observation data

NASA Astrophysics Data System (ADS)

Fersch, Benjamin; Senatore, Alfonso; Kunstmann, Harald

2017-04-01

Fully-coupled hydrometeorological modeling enables investigations about the complex and often non-linear exchange mechanisms among subsurface, land, and atmosphere with respect to water and energy fluxes. The consideration of lateral redistribution of surface and subsurface water in such modeling systems is a crucial enhancement, allowing for a better representation of surface spatial patterns and providing also channel discharge predictions. However, the evaluation of fully-coupled simulations is difficult since the amount of physical detail along with feedback mechanisms leads to high degrees of freedom. Therefore, comprehensive observation data is required to obtain meaningful model configurations. We present a case study for a medium-sized river catchment in southern Germany that includes the calibration of the stand-alone and the evaluation of the fully-coupled WRF-Hydro modeling system with a horizontal resolution of 1 x 1 km2, for the period June to August 2015. ECMWF ERA-Interim reanalysis is used for model driving. Land-surface processes are represented by the Noah-MP land surface model. Land-cover is described by the EU CORINE data set. Observations for model evaluation are obtained from the TERENO Pre-Alpine observatory (http://www.imk-ifu.kit.edu/tereno.php) and are complemented by further measurements from the ScaleX campaign (http://scalex.imk-ifu.kit.edu) such as atmospheric profiles obtained from radiometer sounding and airborne systems as well as soil moisture and -temperature networks. We show how well water budgets and heat-fluxes are being reproduced by the stand-alone WRF, the stand-alone WRF-Hydro and the fully-coupled WRF-Hydro model.

Measurement of vector boson scattering and constraints on anomalous quartic couplings from events with four leptons and two jets in proton–proton collisions at s = 13   TeV

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

Sirunyan, A. M.; Tumasyan, A.; Adam, W.

A measurement of vector boson scattering and constraints on anomalous quartic gauge couplings from events with two Z bosons and two jets are presented. The analysis is based on a data sample of proton–proton collisions at √s = 13 TeV collected with the CMS detector and corresponding to an integrated luminosity of 35.9fb –1. Here, the search is performed in the fully leptonic final state ZZ → lll'l', where l,l' = e or μ.

Measurement of vector boson scattering and constraints on anomalous quartic couplings from events with four leptons and two jets in proton–proton collisions at s = 13   TeV

DOE PAGES

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

2017-10-17

A measurement of vector boson scattering and constraints on anomalous quartic gauge couplings from events with two Z bosons and two jets are presented. The analysis is based on a data sample of proton–proton collisions at √s = 13 TeV collected with the CMS detector and corresponding to an integrated luminosity of 35.9fb –1. Here, the search is performed in the fully leptonic final state ZZ → lll'l', where l,l' = e or μ.

Validation of the Fully-Coupled Air-Sea-Wave COAMPS System

NASA Astrophysics Data System (ADS)

Smith, T.; Campbell, T. J.; Chen, S.; Gabersek, S.; Tsu, J.; Allard, R. A.

2017-12-01

A fully-coupled, air-sea-wave numerical model, COAMPS®, has been developed by the Naval Research Laboratory to further enhance understanding of oceanic, atmospheric, and wave interactions. The fully-coupled air-sea-wave system consists of an atmospheric component with full physics parameterizations, an ocean model, NCOM (Navy Coastal Ocean Model), and two wave components, SWAN (Simulating Waves Nearshore) and WaveWatch III. Air-sea interactions between the atmosphere and ocean components are accomplished through bulk flux formulations of wind stress and sensible and latent heat fluxes. Wave interactions with the ocean include the Stokes' drift, surface radiation stresses, and enhancement of the bottom drag coefficient in shallow water due to the wave orbital velocities at the bottom. In addition, NCOM surface currents are provided to SWAN and WaveWatch III to simulate wave-current interaction. The fully-coupled COAMPS system was executed for several regions at both regional and coastal scales for the entire year of 2015, including the U.S. East Coast, Western Pacific, and Hawaii. Validation of COAMPS® includes observational data comparisons and evaluating operational performance on the High Performance Computing (HPC) system for each of these regions.

Optimization design combined with coupled structural-electrostatic analysis for the electrostatically controlled deployable membrane reflector

NASA Astrophysics Data System (ADS)

Liu, Chao; Yang, Guigeng; Zhang, Yiqun

2015-01-01

The electrostatically controlled deployable membrane reflector (ECDMR) is a promising scheme to construct large size and high precision space deployable reflector antennas. This paper presents a novel design method for the large size and small F/D ECDMR considering the coupled structure-electrostatic problem. First, the fully coupled structural-electrostatic system is described by a three field formulation, in which the structure and passive electrical field is modeled by finite element method, and the deformation of the electrostatic domain is predicted by a finite element formulation of a fictitious elastic structure. A residual formulation of the structural-electrostatic field finite element model is established and solved by Newton-Raphson method. The coupled structural-electrostatic analysis procedure is summarized. Then, with the aid of this coupled analysis procedure, an integrated optimization method of membrane shape accuracy and stress uniformity is proposed, which is divided into inner and outer iterative loops. The initial state of relatively high shape accuracy and uniform stress distribution is achieved by applying the uniform prestress on the membrane design shape and optimizing the voltages, in which the optimal voltage is computed by a sensitivity analysis. The shape accuracy is further improved by the iterative prestress modification using the reposition balance method. Finally, the results of the uncoupled and coupled methods are compared and the proposed optimization method is applied to design an ECDMR. The results validate the effectiveness of this proposed methods.

A Coupled/Uncoupled Computational Scheme for Deformation and Fatigue Damage Analysis of Unidirectional Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.; Saleeb, Atef F.

1997-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum-based fatigue damage model for unidirectional metal-matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress that fully couples the fatigue damage calculations with the finite element deformation solution. Two applications using the fatigue damage algorithm are presented. First, an axisymmetric stress analysis of a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. Second, a micromechanics analysis of a fiber/matrix unit cell using both the finite element method and the generalized method of cells (GMC). Results are presented in the form of S-N curves and damage distribution plots.

Signatures of van der Waals binding: A coupling-constant scaling analysis

NASA Astrophysics Data System (ADS)

Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

2018-02-01

The van der Waals (vdW) density functional (vdW-DF) method [Rep. Prog. Phys. 78, 066501 (2015), 10.1088/0034-4885/78/6/066501] describes dispersion or vdW binding by tracking the effects of an electrodynamic coupling among pairs of electrons and their associated exchange-correlation holes. This is done in a nonlocal-correlation energy term Ecnl, which permits density functional theory calculation in the Kohn-Sham scheme. However, to map the nature of vdW forces in a fully interacting materials system, it is necessary to also account for associated kinetic-correlation energy effects. Here, we present a coupling-constant scaling analysis, which permits us to compute the kinetic-correlation energy Tcnl that is specific to the vdW-DF account of nonlocal correlations. We thus provide a more complete spatially resolved analysis of the electrodynamical-coupling nature of nonlocal-correlation binding, including vdW attraction, in both covalently and noncovalently bonded systems. We find that kinetic-correlation energy effects play a significant role in the account of vdW or dispersion interactions among molecules. Furthermore, our mapping shows that the total nonlocal-correlation binding is concentrated to pockets in the sparse electron distribution located between the material fragments.

Scaling properties of Arctic sea ice deformation in high-resolution viscous-plastic sea ice models and satellite observations

NASA Astrophysics Data System (ADS)

Hutter, Nils; Losch, Martin; Menemenlis, Dimitris

2017-04-01

Sea ice models with the traditional viscous-plastic (VP) rheology and very high grid resolution can resolve leads and deformation rates that are localised along Linear Kinematic Features (LKF). In a 1-km pan-Arctic sea ice-ocean simulation, the small scale sea-ice deformations in the Central Arctic are evaluated with a scaling analysis in relation to satellite observations of the Envisat Geophysical Processor System (EGPS). A new coupled scaling analysis for data on Eulerian grids determines the spatial and the temporal scaling as well as the coupling between temporal and spatial scales. The spatial scaling of the modelled sea ice deformation implies multi-fractality. The spatial scaling is also coupled to temporal scales and varies realistically by region and season. The agreement of the spatial scaling and its coupling to temporal scales with satellite observations and models with the modern elasto-brittle rheology challenges previous results with VP models at coarse resolution where no such scaling was found. The temporal scaling analysis, however, shows that the VP model does not fully resolve the intermittency of sea ice deformation that is observed in satellite data.

Seismic analysis of offshore wind turbines on bottom-fixed support structures.

PubMed

Alati, Natale; Failla, Giuseppe; Arena, Felice

2015-02-28

This study investigates the seismic response of a horizontal axis wind turbine on two bottom-fixed support structures for transitional water depths (30-60 m), a tripod and a jacket, both resting on pile foundations. Fully coupled, nonlinear time-domain simulations on full system models are carried out under combined wind-wave-earthquake loadings, for different load cases, considering fixed and flexible foundation models. It is shown that earthquake loading may cause a significant increase of stress resultant demands, even for moderate peak ground accelerations, and that fully coupled nonlinear time-domain simulations on full system models are essential to capture relevant information on the moment demand in the rotor blades, which cannot be predicted by analyses on simplified models allowed by existing standards. A comparison with some typical design load cases substantiates the need for an accurate seismic assessment in sites at risk from earthquakes. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

The Active Role of the Ocean in the Temporal Evolution of Climate Sensitivity

DOE PAGES

Garuba, Oluwayemi A.; Lu, Jian; Liu, Fukai; ...

2017-11-30

Here, the temporal evolution of the effective climate sensitivity is shown to be influenced by the changing pattern of sea surface temperature (SST) and ocean heat uptake (OHU), which in turn have been attributed to ocean circulation changes. A set of novel experiments are performed to isolate the active role of the ocean by comparing a fully coupled CO 2 quadrupling community Earth System Model (CESM) simulation against a partially coupled one, where the effect of the ocean circulation change and its impact on surface fluxes are disabled. The active OHU is responsible for the reduced effective climate sensitivity andmore » weaker surface warming response in the fully coupled simulation. The passive OHU excites qualitatively similar feedbacks to CO 2 quadrupling in a slab ocean model configuration due to the similar SST spatial pattern response in both experiments. Additionally, the nonunitary forcing efficacy of the active OHU (1.7) explains the very different net feedback parameters in the fully and partially coupled responses.« less

The Active Role of the Ocean in the Temporal Evolution of Climate Sensitivity

NASA Astrophysics Data System (ADS)

Garuba, Oluwayemi A.; Lu, Jian; Liu, Fukai; Singh, Hansi A.

2018-01-01

The temporal evolution of the effective climate sensitivity is shown to be influenced by the changing pattern of sea surface temperature (SST) and ocean heat uptake (OHU), which in turn have been attributed to ocean circulation changes. A set of novel experiments are performed to isolate the active role of the ocean by comparing a fully coupled CO2 quadrupling community Earth System Model (CESM) simulation against a partially coupled one, where the effect of the ocean circulation change and its impact on surface fluxes are disabled. The active OHU is responsible for the reduced effective climate sensitivity and weaker surface warming response in the fully coupled simulation. The passive OHU excites qualitatively similar feedbacks to CO2 quadrupling in a slab ocean model configuration due to the similar SST spatial pattern response in both experiments. Additionally, the nonunitary forcing efficacy of the active OHU (1.7) explains the very different net feedback parameters in the fully and partially coupled responses.

The Active Role of the Ocean in the Temporal Evolution of Climate Sensitivity

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

Garuba, Oluwayemi A.; Lu, Jian; Liu, Fukai

Here, the temporal evolution of the effective climate sensitivity is shown to be influenced by the changing pattern of sea surface temperature (SST) and ocean heat uptake (OHU), which in turn have been attributed to ocean circulation changes. A set of novel experiments are performed to isolate the active role of the ocean by comparing a fully coupled CO 2 quadrupling community Earth System Model (CESM) simulation against a partially coupled one, where the effect of the ocean circulation change and its impact on surface fluxes are disabled. The active OHU is responsible for the reduced effective climate sensitivity andmore » weaker surface warming response in the fully coupled simulation. The passive OHU excites qualitatively similar feedbacks to CO 2 quadrupling in a slab ocean model configuration due to the similar SST spatial pattern response in both experiments. Additionally, the nonunitary forcing efficacy of the active OHU (1.7) explains the very different net feedback parameters in the fully and partially coupled responses.« less

Fully coupled two-phase flow and poromechanics modeling of coalbed methane recovery: Impact of geomechanics on production rate

DOE PAGES

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.; ...

2017-06-03

This study presents the development and application of a fully coupled two-phase (methane and water) flow, transport, and poromechanics num erical model for the analysis of geomechanical impacts on coalbed methane (CBM) production. The model considers changes in two-phase fluid flow properties, i.e., coal porosity, permeability, water retention, and relative permeability curves through changes in cleat fractures induced by effective stress variations and desorption-induced shrinkage. The coupled simulator is first verified for poromechanics coupling, and simulation parameters of a CBM reservoir model are calibrated by history matching against one year of CBM production field data from Shanxi Province, China. Then,more » the verified simulator and the calibrated CBM reservoir model are used for predicting the impact of geomechanics on the production rate for twenty years of continuous CBM production. The simulation results show that desorption-induced shrinkage is the dominant process in increasing permeability in the near wellbore region. Away from the wellbore, desorption-induced shrinkage is weaker, and permeability is reduced by pressure depletion and increased effective stress. A sensitivity analysis shows that for coal with a higher sorption strain, a larger initial Young's modulus and a smaller Poisson's ratio promote the enhancement of permeability as well as an increased production rate. Moreover, the conceptual model of the cleat system, whether dominated by vertical cleats with permeability correlated to horizontal stress or with permeability correlated to mean stress, can have a significant impact on the predicted production rate. Overall, the study clearly demonstrates and confirms the critical importance of considering geomechanics for an accurate prediction of CBM production.« less

Fully coupled two-phase flow and poromechanics modeling of coalbed methane recovery: Impact of geomechanics on production rate

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

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.

This study presents the development and application of a fully coupled two-phase (methane and water) flow, transport, and poromechanics num erical model for the analysis of geomechanical impacts on coalbed methane (CBM) production. The model considers changes in two-phase fluid flow properties, i.e., coal porosity, permeability, water retention, and relative permeability curves through changes in cleat fractures induced by effective stress variations and desorption-induced shrinkage. The coupled simulator is first verified for poromechanics coupling, and simulation parameters of a CBM reservoir model are calibrated by history matching against one year of CBM production field data from Shanxi Province, China. Then,more » the verified simulator and the calibrated CBM reservoir model are used for predicting the impact of geomechanics on the production rate for twenty years of continuous CBM production. The simulation results show that desorption-induced shrinkage is the dominant process in increasing permeability in the near wellbore region. Away from the wellbore, desorption-induced shrinkage is weaker, and permeability is reduced by pressure depletion and increased effective stress. A sensitivity analysis shows that for coal with a higher sorption strain, a larger initial Young's modulus and a smaller Poisson's ratio promote the enhancement of permeability as well as an increased production rate. Moreover, the conceptual model of the cleat system, whether dominated by vertical cleats with permeability correlated to horizontal stress or with permeability correlated to mean stress, can have a significant impact on the predicted production rate. Overall, the study clearly demonstrates and confirms the critical importance of considering geomechanics for an accurate prediction of CBM production.« less

Ultra-low loss fully-etched grating couplers for perfectly vertical coupling compatible with DUV lithography tools

NASA Astrophysics Data System (ADS)

Dabos, G.; Pleros, N.; Tsiokos, D.

2016-03-01

Hybrid integration of VCSELs onto silicon-on-insulator (SOI) substrates has emerged as an attractive approach for bridging the gap between cost-effective and energy-efficient directly modulated laser sources and silicon-based PICs by leveraging flip-chip (FC) bonding techniques and silicon grating couplers (GCs). In this context, silicon GCs, should comply with the process requirements imposed by the complimentary-metal-oxide-semiconductor manufacturing tools addressing in parallel the challenges originating from the perfectly vertical incidence. Firstly, fully etched GCs compatible with deep-ultraviolet lithography tools offering high coupling efficiencies are imperatively needed to maintain low fabrication cost. Secondly, GC's tolerance to VCSEL bonding misalignment errors is a prerequisite for practical deployment. Finally, a major challenge originating from the perfectly vertical coupling scheme is the minimization of the direct back-reflection to the VCSEL's outgoing facet which may destabilize its operation. Motivated from the above challenges, we used numerical simulation tools to design an ultra-low loss, bidirectional VCSEL-to-SOI optical coupling scheme for either TE or TM polarization, based on low-cost fully etched GCs with a Si-layer of 340 nm without employing bottom reflectors or optimizing the buried-oxide layer. Comprehensive 2D Finite-Difference-Time- Domain simulations have been performed. The reported GC layout remains fully compatible with the back-end-of-line (BEOL) stack associated with the 3D integration technology exploiting all the inter-metal-dielectric (IMD) layers of the CMOS fab. Simulation results predicted for the first time in fully etched structures a coupling efficiency of as low as -0.87 dB at 1548 nm and -1.47 dB at 1560 nm with a minimum direct back-reflection of -27.4 dB and -14.2 dB for TE and TM polarization, respectively.

Investigation of prescribed movement in fluid–structure interaction simulation for the human phonation process☆

PubMed Central

Zörner, S.; Kaltenbacher, M.; Döllinger, M.

2013-01-01

In a partitioned approach for computational fluid–structure interaction (FSI) the coupling between fluid and structure causes substantial computational resources. Therefore, a convenient alternative is to reduce the problem to a pure flow simulation with preset movement and applying appropriate boundary conditions. This work investigates the impact of replacing the fully-coupled interface condition with a one-way coupling. To continue to capture structural movement and its effect onto the flow field, prescribed wall movements from separate simulations and/or measurements are used. As an appropriate test case, we apply the different coupling strategies to the human phonation process, which is a highly complex interaction of airflow through the larynx and structural vibration of the vocal folds (VF). We obtain vocal fold vibrations from a fully-coupled simulation and use them as input data for the simplified simulation, i.e. just solving the fluid flow. All computations are performed with our research code CFS++, which is based on the finite element (FE) method. The presented results show that a pure fluid simulation with prescribed structural movement can substitute the fully-coupled approach. However, caution must be used to ensure accurate boundary conditions on the interface, and we found that only a pressure driven flow correctly responds to the physical effects when using specified motion. PMID:24204083

Fully-coupled analysis of jet mixing problems. Part 1. Shock-capturing model, SCIPVIS

NASA Technical Reports Server (NTRS)

Dash, S. M.; Wolf, D. E.

1984-01-01

A computational model, SCIPVIS, is described which predicts the multiple cell shock structure in imperfectly expanded, turbulent, axisymmetric jets. The model spatially integrates the parabolized Navier-Stokes jet mixing equations using a shock-capturing approach in supersonic flow regions and a pressure-split approximation in subsonic flow regions. The regions are coupled using a viscous-characteristic procedure. Turbulence processes are represented via the solution of compressibility-corrected two-equation turbulence models. The formation of Mach discs in the jet and the interactive analysis of the wake-like mixing process occurring behind Mach discs is handled in a rigorous manner. Calculations are presented exhibiting the fundamental interactive processes occurring in supersonic jets and the model is assessed via comparisons with detailed laboratory data for a variety of under- and overexpanded jets.

Scaling Properties of Arctic Sea Ice Deformation in a High‐Resolution Viscous‐Plastic Sea Ice Model and in Satellite Observations

PubMed Central

Losch, Martin; Menemenlis, Dimitris

2018-01-01

Abstract Sea ice models with the traditional viscous‐plastic (VP) rheology and very small horizontal grid spacing can resolve leads and deformation rates localized along Linear Kinematic Features (LKF). In a 1 km pan‐Arctic sea ice‐ocean simulation, the small‐scale sea ice deformations are evaluated with a scaling analysis in relation to satellite observations of the Envisat Geophysical Processor System (EGPS) in the Central Arctic. A new coupled scaling analysis for data on Eulerian grids is used to determine the spatial and temporal scaling and the coupling between temporal and spatial scales. The spatial scaling of the modeled sea ice deformation implies multifractality. It is also coupled to temporal scales and varies realistically by region and season. The agreement of the spatial scaling with satellite observations challenges previous results with VP models at coarser resolution, which did not reproduce the observed scaling. The temporal scaling analysis shows that the VP model, as configured in this 1 km simulation, does not fully resolve the intermittency of sea ice deformation that is observed in satellite data. PMID:29576996

Scaling Properties of Arctic Sea Ice Deformation in a High-Resolution Viscous-Plastic Sea Ice Model and in Satellite Observations

NASA Astrophysics Data System (ADS)

Hutter, Nils; Losch, Martin; Menemenlis, Dimitris

2018-01-01

Sea ice models with the traditional viscous-plastic (VP) rheology and very small horizontal grid spacing can resolve leads and deformation rates localized along Linear Kinematic Features (LKF). In a 1 km pan-Arctic sea ice-ocean simulation, the small-scale sea ice deformations are evaluated with a scaling analysis in relation to satellite observations of the Envisat Geophysical Processor System (EGPS) in the Central Arctic. A new coupled scaling analysis for data on Eulerian grids is used to determine the spatial and temporal scaling and the coupling between temporal and spatial scales. The spatial scaling of the modeled sea ice deformation implies multifractality. It is also coupled to temporal scales and varies realistically by region and season. The agreement of the spatial scaling with satellite observations challenges previous results with VP models at coarser resolution, which did not reproduce the observed scaling. The temporal scaling analysis shows that the VP model, as configured in this 1 km simulation, does not fully resolve the intermittency of sea ice deformation that is observed in satellite data.

Scaling Properties of Arctic Sea Ice Deformation in a High-Resolution Viscous-Plastic Sea Ice Model and in Satellite Observations.

PubMed

Hutter, Nils; Losch, Martin; Menemenlis, Dimitris

2018-01-01

Sea ice models with the traditional viscous-plastic (VP) rheology and very small horizontal grid spacing can resolve leads and deformation rates localized along Linear Kinematic Features (LKF). In a 1 km pan-Arctic sea ice-ocean simulation, the small-scale sea ice deformations are evaluated with a scaling analysis in relation to satellite observations of the Envisat Geophysical Processor System (EGPS) in the Central Arctic. A new coupled scaling analysis for data on Eulerian grids is used to determine the spatial and temporal scaling and the coupling between temporal and spatial scales. The spatial scaling of the modeled sea ice deformation implies multifractality. It is also coupled to temporal scales and varies realistically by region and season. The agreement of the spatial scaling with satellite observations challenges previous results with VP models at coarser resolution, which did not reproduce the observed scaling. The temporal scaling analysis shows that the VP model, as configured in this 1 km simulation, does not fully resolve the intermittency of sea ice deformation that is observed in satellite data.

Strong wave/mean-flow coupling in baroclinic acoustic streaming

NASA Astrophysics Data System (ADS)

Chini, Greg; Michel, Guillaume

2017-11-01

Recently, Chini et al. demonstrated the potential for large-amplitude acoustic streaming in compressible channel flows subjected to strong background cross-channel density variations. In contrast with classic Rayleigh streaming, standing acoustic waves of O (ɛ) amplitude acquire vorticity owing to baroclinic torques acting throughout the domain rather than via viscous torques acting in Stokes boundary layers. More significantly, these baroclinically-driven streaming flows have a magnitude that also is O (ɛ) , i.e. comparable to that of the sound waves. In the present study, the consequent potential for fully two-way coupling between the waves and streaming flows is investigated using a novel WKBJ analysis. The analysis confirms that the wave-driven streaming flows are sufficiently strong to modify the background density gradient, thereby modifying the leading-order acoustic wave structure. Simulations of the wave/mean-flow system enabled by the WKBJ analysis are performed to illustrate the nature of the two-way coupling, which contrasts sharply with classic Rayleigh streaming, for which the waves can first be determined and the streaming flows subsequently computed.

Synthesis, biological activity and dyeing performance of some novel azo disperse dyes incorporating pyrazolo[1,5-a]pyrimidines for dyeing of polyester fabrics

NASA Astrophysics Data System (ADS)

Sayed, Ahmed Z.; Aboul-Fetouh, Mahmoud S.; Nassar, Hesham S.

2012-02-01

Several novel pyrazolopyrimidine azo compounds were achieved from diazotization of 4-aminoacetanilide and coupling with malononitrile and then refluxed with hydrazine hydrate to furnish 3,5-diamino-4-(4-acetamidophenylazo)-1H-pyrazole. The later compound was diazotized and coupled with substituted α-cyanocinnamate, α-cyanocinnamonitrile, 2-cyano-3-ethoxyacrylic acid ethyl ester, chalcones and ethylacetoacetate to produce novel dyestuffs. Structures of the dyes were fully characterized by using FT-IR, 1H NMR, mass spectroscopy and elemental analysis. The dyes were applied to polyester fiber, affording satisfactory results and showed biological activity towards various microorganisms.

The role of the global phase in the spatio-temporal evolution of strong-coupling Brillouin scattering

NASA Astrophysics Data System (ADS)

Amiranoff, F.; Riconda, C.; Chiaramello, M.; Lancia, L.; Marquès, J. R.; Weber, S.

2018-01-01

The role of the global phase in the spatio-temporal evolution of the 3-wave coupled equations for backscattering is analyzed in the strong-coupling regime of Brillouin scattering. This is of particular interest for controlled backscattering in the case of plasma-based amplification to produce short and intense laser pulses. It is shown that the analysis of the envelope equations of the three waves involved, pump, seed, and ion wave, in terms of phase and amplitude fully describes the coupling dynamics. In particular, it helps understanding the role of the chirp of the laser beams and of the plasma density profile. The results can be used to optimize or quench the coupling mechanism. It is found that the directionality of the energy transfer is imposed by the phase relation at the leading edge of the pulse. This actually ensures continued energy transfer even if the intensity of the seed pulse is already higher than the pump pulse intensity.

Joint atmospheric-terrestrial water balances for East Africa: a WRF-Hydro case study for the upper Tana River basin

NASA Astrophysics Data System (ADS)

Kerandi, Noah; Arnault, Joel; Laux, Patrick; Wagner, Sven; Kitheka, Johnson; Kunstmann, Harald

2018-02-01

For an improved understanding of the hydrometeorological conditions of the Tana River basin of Kenya, East Africa, its joint atmospheric-terrestrial water balances are investigated. This is achieved through the application of the Weather Research and Forecasting (WRF) and the fully coupled WRF-Hydro modeling system over the Mathioya-Sagana subcatchment (3279 km2) and its surroundings in the upper Tana River basin for 4 years (2011-2014). The model setup consists of an outer domain at 25 km (East Africa) and an inner one at 5-km (Mathioya-Sagana subcatchment) horizontal resolution. The WRF-Hydro inner domain is enhanced with hydrological routing at 500-m horizontal resolution. The results from the fully coupled modeling system are compared to those of the WRF-only model. The coupled WRF-Hydro slightly reduces precipitation, evapotranspiration, and the soil water storage but increases runoff. The total precipitation from March to May and October to December for WRF-only (974 mm/year) and coupled WRF-Hydro (940 mm/year) is closer to that derived from the Climate Hazards Group Infrared Precipitation with Stations (CHIRPS) data (989 mm/year) than from the TRMM (795 mm/year) precipitation product. The coupled WRF-Hydro-accumulated discharge (323 mm/year) is close to that observed (333 mm/year). However, the coupled WRF-Hydro underestimates the observed peak flows registering low but acceptable NSE (0.02) and RSR (0.99) at daily time step. The precipitation recycling and efficiency measures between WRF-only and coupled WRF-Hydro are very close and small. This suggests that most of precipitation in the region comes from moisture advection from the outside of the analysis domain, indicating a minor impact of potential land-precipitation feedback mechanisms in this case. The coupled WRF-Hydro nonetheless serves as a tool in quantifying the atmospheric-terrestrial water balance in this region.

Numerical analysis of the chimera states in the multilayered network model

NASA Astrophysics Data System (ADS)

Goremyko, Mikhail V.; Maksimenko, Vladimir A.; Makarov, Vladimir V.; Ghosh, Dibakar; Bera, Bidesh K.; Dana, Syamal K.; Hramov, Alexander E.

2017-03-01

We numerically study the interaction between the ensembles of the Hindmarsh-Rose (HR) neuron systems, arranged in the multilayer network model. We have shown that the fully identical layers, demonstrated individually different chimera due to the initial mismatch, come to the identical chimera state with the increase of inter-layer coupling. Within the multilayer model we also consider the case, when the one layer demonstrates chimera state, while another layer exhibits coherent or incoherent dynamics. It has been shown that the interactions chimera-coherent state and chimera-incoherent state leads to the both excitation of chimera as from the ensemble of fully coherent or incoherent oscillators, and suppression of initially stable chimera state

Magnetization switching behavior with competing anisotropies in epitaxial Co3FeN /MnN exchange-coupled bilayers

NASA Astrophysics Data System (ADS)

Hajiri, T.; Yoshida, T.; Jaiswal, S.; Filianina, M.; Borie, B.; Ando, H.; Asano, H.; Zabel, H.; Kläui, M.

2016-11-01

We report unusual magnetization switching processes and angular-dependent exchange bias effects in fully epitaxial Co3FeN /MnN bilayers, where magnetocrystalline anisotropy and exchange coupling compete, probed by longitudinal and transverse magneto-optic Kerr effect (MOKE) magnetometry. The MOKE loops show multistep jumps corresponding to the nucleation and propagation of 90∘ domain walls in as-grown bilayers. By inducing exchange coupling, we confirm changes of the magnetization switching process due to the unidirectional anisotropy field of the exchange coupling. Taking into account the experimentally obtained values of the fourfold magnetocrystalline anisotropy, the unidirectional anisotropy field, the exchange-coupling constant, and the uniaxial anisotropy including its direction, the calculated angular-dependent exchange bias reproduces the experimental results. These results demonstrate the essential role of the competition between magnetocrystalline anisotropy and exchange coupling for understanding and tailoring exchange-coupling phenomena usable for engineering switching in fully epitaxial bilayers made of tailored materials.

Fiber-Coupled Cavity-QED Source of Identical Single Photons

NASA Astrophysics Data System (ADS)

Snijders, H.; Frey, J. A.; Norman, J.; Post, V. P.; Gossard, A. C.; Bowers, J. E.; van Exter, M. P.; Löffler, W.; Bouwmeester, D.

2018-03-01

We present a fully fiber-coupled source of high-fidelity single photons. An (In,Ga)As semiconductor quantum dot is embedded in an optical Fabry-Perot microcavity with a robust design and rigidly attached single-mode fibers, which enables through-fiber cross-polarized resonant laser excitation and photon extraction. Even without spectral filtering, we observe that the incident coherent light pulses are transformed into a stream of single photons with high purity (97%) and indistinguishability (90%), which is measured at an in-fiber brightness of 5% with an excellent cavity-mode-to-fiber coupling efficiency of 85%. Our results pave the way for fully fiber-integrated photonic quantum networks. Furthermore, our method is equally applicable to fiber-coupled solid-state cavity-QED-based photonic quantum gates.

45° sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers.

PubMed

Hajiri, T; Yoshida, T; Filianina, M; Jaiswal, S; Borie, B; Asano, H; Zabel, H; Kläui, M

2017-12-05

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45° period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co 3 FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies.

45° sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers

NASA Astrophysics Data System (ADS)

Hajiri, T.; Yoshida, T.; Filianina, M.; Jaiswal, S.; Borie, B.; Asano, H.; Zabel, H.; Kläui, M.

2018-01-01

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45° period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co3FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies.

Probing the Higgs couplings to photons in h→4ℓ at the LHC.

PubMed

Chen, Yi; Harnik, Roni; Vega-Morales, Roberto

2014-11-07

We explore the sensitivity of the Higgs decay to four leptons, the so-called golden channel, to higher dimensional loop-induced couplings of the Higgs boson to ZZ, Zγ, and γγ pairs, allowing for general CP mixtures. The larger standard model tree level coupling hZ(μ)Z(μ) is the dominant "background" for the loop-induced couplings. However, this large background interferes with the smaller loop-induced couplings, enhancing the sensitivity. We perform a maximum likelihood analysis based on analytic expressions of the fully differential decay width for h→4ℓ (4ℓ≡2e2μ,4e,4μ), including all interference effects. We find that the spectral shapes induced by Higgs couplings to photons are particularly different than the hZ(μ)Z(μ) background leading to enhanced sensitivity to these couplings. We show that even if the h→γγ and h→4ℓ rates agree with that predicted by the standard model, the golden channel has the potential to probe both the CP nature as well as the overall sign of the Higgs coupling to photons well before the end of a high-luminosity LHC.

Initial Coupling of the RELAP-7 and PRONGHORN Applications

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

J. Ortensi; D. Andrs; A.A. Bingham

2012-10-01

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations inmore » 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.« less

A Fully Integrated Global Strategic Supply Network - A Critical Enabler of DoD Transformation

DTIC Science & Technology

2004-01-01

deliver these critical capabilities more efficiently. Increasing US budget deficits coupled with growing health care and social security demands are...forming alliances which are mutually beneficial for industry and our international partners. 10 Recommendations Our analysis concludes that the...on SAP investments”, Chemical Week, 23 Apr 2003, Vol. 165, No. 15. Tarnowski, J. “Data to Dollars: Progressive Grocer.” VNU Business Media Inc

Intelligent design optimization of a shape-memory-alloy-actuated reconfigurable wing

NASA Astrophysics Data System (ADS)

Lagoudas, Dimitris C.; Strelec, Justin K.; Yen, John; Khan, Mohammad A.

2000-06-01

The unique thermal and mechanical properties offered by shape memory alloys (SMAs) present exciting possibilities in the field of aerospace engineering. When properly trained, SMA wires act as linear actuators by contracting when heated and returning to their original shape when cooled. It has been shown experimentally that the overall shape of an airfoil can be altered by activating several attached SMA wire actuators. This shape-change can effectively increase the efficiency of a wing in flight at several different flow regimes. To determine the necessary placement of these wire actuators within the wing, an optimization method that incorporates a fully-coupled structural, thermal, and aerodynamic analysis has been utilized. Due to the complexity of the fully-coupled analysis, intelligent optimization methods such as genetic algorithms have been used to efficiently converge to an optimal solution. The genetic algorithm used in this case is a hybrid version with global search and optimization capabilities augmented by the simplex method as a local search technique. For the reconfigurable wing, each chromosome represents a realizable airfoil configuration and its genes are the SMA actuators, described by their location and maximum transformation strain. The genetic algorithm has been used to optimize this design problem to maximize the lift-to-drag ratio for a reconfigured airfoil shape.

Scalable Nonlinear Solvers for Fully Implicit Coupled Nuclear Fuel Modeling. Final Report

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

Cai, Xiao-Chuan; Keyes, David; Yang, Chao

2014-09-29

The focus of the project is on the development and customization of some highly scalable domain decomposition based preconditioning techniques for the numerical solution of nonlinear, coupled systems of partial differential equations (PDEs) arising from nuclear fuel simulations. These high-order PDEs represent multiple interacting physical fields (for example, heat conduction, oxygen transport, solid deformation), each is modeled by a certain type of Cahn-Hilliard and/or Allen-Cahn equations. Most existing approaches involve a careful splitting of the fields and the use of field-by-field iterations to obtain a solution of the coupled problem. Such approaches have many advantages such as ease of implementationmore » since only single field solvers are needed, but also exhibit disadvantages. For example, certain nonlinear interactions between the fields may not be fully captured, and for unsteady problems, stable time integration schemes are difficult to design. In addition, when implemented on large scale parallel computers, the sequential nature of the field-by-field iterations substantially reduces the parallel efficiency. To overcome the disadvantages, fully coupled approaches have been investigated in order to obtain full physics simulations.« less

Solving Fluid Structure Interaction Problems with an Immersed Boundary Method

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.

2016-01-01

An immersed boundary method for the compressible Navier-Stokes equations can be used for moving boundary problems as well as fully coupled fluid-structure interaction is presented. The underlying Cartesian immersed boundary method of the Launch Ascent and Vehicle Aerodynamics (LAVA) framework, based on the locally stabilized immersed boundary method previously presented by the authors, is extended to account for unsteady boundary motion and coupled to linear and geometrically nonlinear structural finite element solvers. The approach is validated for moving boundary problems with prescribed body motion and fully coupled fluid structure interaction problems. Keywords: Immersed Boundary Method, Higher-Order Finite Difference Method, Fluid Structure Interaction.

On the Oxidation State of Manganese Ions in Li-Ion Battery Electrolyte Solutions.

PubMed

Banerjee, Anjan; Shilina, Yuliya; Ziv, Baruch; Ziegelbauer, Joseph M; Luski, Shalom; Aurbach, Doron; Halalay, Ion C

2017-02-08

We demonstrate herein that Mn 3+ and not Mn 2+ , as commonly accepted, is the dominant dissolved manganese cation in LiPF 6 -based electrolyte solutions of Li-ion batteries with lithium manganate spinel positive and graphite negative electrodes chemistry. The Mn 3+ fractions in solution, derived from a combined analysis of electron paramagnetic resonance and inductively coupled plasma spectroscopy data, are ∼80% for either fully discharged (3.0 V hold) or fully charged (4.2 V hold) cells, and ∼60% for galvanostatically cycled cells. These findings agree with the average oxidation state of dissolved Mn ions determined from X-ray absorption near-edge spectroscopy data, as verified through a speciation diagram analysis. We also show that the fractions of Mn 3+ in the aprotic nonaqueous electrolyte solution are constant over the duration of our experiments and that disproportionation of Mn 3+ occurs at a very slow rate.

Read-noise characterization of focal plane array detectors via mean-variance analysis.

PubMed

Sperline, R P; Knight, A K; Gresham, C A; Koppenaal, D W; Hieftje, G M; Denton, M B

2005-11-01

Mean-variance analysis is described as a method for characterization of the read-noise and gain of focal plane array (FPA) detectors, including charge-coupled devices (CCDs), charge-injection devices (CIDs), and complementary metal-oxide-semiconductor (CMOS) multiplexers (infrared arrays). Practical FPA detector characterization is outlined. The nondestructive readout capability available in some CIDs and FPA devices is discussed as a means for signal-to-noise ratio improvement. Derivations of the equations are fully presented to unify understanding of this method by the spectroscopic community.

Fully Coupled Micro/Macro Deformation, Damage, and Failure Prediction for SiC/Ti-15-3 Laminates

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steven M.; Lerch, Brad A.

2001-01-01

The deformation, failure, and low cycle fatigue life of SCS-6/Ti-15-3 composites are predicted using a coupled deformation and damage approach in the context of the analytical generalized method of cells (GMC) micromechanics model. The local effects of inelastic deformation, fiber breakage, fiber-matrix interfacial debonding, and fatigue damage are included as sub-models that operate on the micro scale for the individual composite phases. For the laminate analysis, lamination theory is employed as the global or structural scale model, while GMC is embedded to operate on the meso scale to simulate the behavior of the composite material within each laminate layer. While the analysis approach is quite complex and multifaceted, it is shown, through comparison with experimental data, to be quite accurate and realistic while remaining extremely efficient.

Dispersive analysis of the scalar form factor of the nucleon

NASA Astrophysics Data System (ADS)

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

2012-06-01

Based on the recently proposed Roy-Steiner equations for pion-nucleon ( πN) scattering [1], we derive a system of coupled integral equations for the π π to overline N N and overline K K to overline N N S-waves. These equations take the form of a two-channel Muskhelishvili-Omnès problem, whose solution in the presence of a finite matching point is discussed. We use these results to update the dispersive analysis of the scalar form factor of the nucleon fully including overline K K intermediate states. In particular, we determine the correction {Δ_{σ }} = σ ( {2M_{π }^2} ) - {σ_{{π N}}} , which is needed for the extraction of the pion-nucleon σ term from πN scattering, as a function of pion-nucleon subthreshold parameters and the πN coupling constant.

Implicit time-integration method for simultaneous solution of a coupled non-linear system

NASA Astrophysics Data System (ADS)

Watson, Justin Kyle

Historically large physical problems have been divided into smaller problems based on the physics involved. This is no different in reactor safety analysis. The problem of analyzing a nuclear reactor for design basis accidents is performed by a handful of computer codes each solving a portion of the problem. The reactor thermal hydraulic response to an event is determined using a system code like TRAC RELAP Advanced Computational Engine (TRACE). The core power response to the same accident scenario is determined using a core physics code like Purdue Advanced Core Simulator (PARCS). Containment response to the reactor depressurization in a Loss Of Coolant Accident (LOCA) type event is calculated by a separate code. Sub-channel analysis is performed with yet another computer code. This is just a sample of the computer codes used to solve the overall problems of nuclear reactor design basis accidents. Traditionally each of these codes operates independently from each other using only the global results from one calculation as boundary conditions to another. Industry's drive to uprate power for reactors has motivated analysts to move from a conservative approach to design basis accident towards a best estimate method. To achieve a best estimate calculation efforts have been aimed at coupling the individual physics models to improve the accuracy of the analysis and reduce margins. The current coupling techniques are sequential in nature. During a calculation time-step data is passed between the two codes. The individual codes solve their portion of the calculation and converge to a solution before the calculation is allowed to proceed to the next time-step. This thesis presents a fully implicit method of simultaneous solving the neutron balance equations, heat conduction equations and the constitutive fluid dynamics equations. It discusses the problems involved in coupling different physics phenomena within multi-physics codes and presents a solution to these problems. The thesis also outlines the basic concepts behind the nodal balance equations, heat transfer equations and the thermal hydraulic equations, which will be coupled to form a fully implicit nonlinear system of equations. The coupling of separate physics models to solve a larger problem and improve accuracy and efficiency of a calculation is not a new idea, however implementing them in an implicit manner and solving the system simultaneously is. Also the application to reactor safety codes is new and has not be done with thermal hydraulics and neutronics codes on realistic applications in the past. The coupling technique described in this thesis is applicable to other similar coupled thermal hydraulic and core physics reactor safety codes. This technique is demonstrated using coupled input decks to show that the system is solved correctly and then verified by using two derivative test problems based on international benchmark problems the OECD/NRC Three mile Island (TMI) Main Steam Line Break (MSLB) problem (representative of pressurized water reactor analysis) and the OECD/NRC Peach Bottom (PB) Turbine Trip (TT) benchmark (representative of boiling water reactor analysis).

Simulation and optimization of ammonia removal at low temperature for a double channel oxidation ditch based on fully coupled activated sludge model (FCASM): a full-scale study.

PubMed

Yang, Min; Sun, Peide; Wang, Ruyi; Han, Jingyi; Wang, Jianqiao; Song, Yingqi; Cai, Jing; Tang, Xiudi

2013-09-01

An optimal operating condition for ammonia removal at low temperature, based on fully coupled activated sludge model (FCASM), was determined in a full-scale oxidation ditch process wastewater treatment plant (WWTP). The FCASM-based mechanisms model was calibrated and validated with the data measured on site. Several important kinetic parameters of the modified model were tested through respirometry experiment. Validated model was used to evaluate the relationship between ammonia removal and operating parameters, such as temperature (T), dissolved oxygen (DO), solid retention time (SRT) and hydraulic retention time of oxidation ditch (HRT). The simulated results showed that low temperature have a negative effect on the ammonia removal. Through orthogonal simulation tests of the last three factors and combination with the analysis of variance, the optimal operating mode acquired of DO, SRT, HRT for the WWTP at low temperature were 3.5 mg L(-1), 15 d and 14 h, respectively. Copyright © 2013 Elsevier Ltd. All rights reserved.

Efficient spot size converter for higher-order mode fiber-chip coupling.

PubMed

Lai, Yaxiao; Yu, Yu; Fu, Songnian; Xu, Jing; Shum, Perry Ping; Zhang, Xinliang

2017-09-15

We propose and demonstrate a silicon-based spot size converter (SSC), composed of two identical tapered channel waveguides and a Y-junction. The SSC is designed for first-order mode fiber-to-chip coupling on the basis of mode petal separation and the recombination method. Compared with a traditional on-chip SSC, this method is superior with reduced coupling loss when dealing with a higher-order mode. To the best of our knowledge, we present the first experimental observations of a higher-order SSC which is fully compatible with a standard fabrication process. Average coupling losses of 3 and 5.5 dB are predicted by simulation and demonstrated experimentally. A fully covered 3 dB bandwidth over a 1515-1585 nm wavelength range is experimentally observed.

Final report on LDRD project : coupling strategies for multi-physics applications.

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

Hopkins, Matthew Morgan; Moffat, Harry K.; Carnes, Brian

Many current and future modeling applications at Sandia including ASC milestones will critically depend on the simultaneous solution of vastly different physical phenomena. Issues due to code coupling are often not addressed, understood, or even recognized. The objectives of the LDRD has been both in theory and in code development. We will show that we have provided a fundamental analysis of coupling, i.e., when strong coupling vs. a successive substitution strategy is needed. We have enabled the implementation of tighter coupling strategies through additions to the NOX and Sierra code suites to make coupling strategies available now. We have leveragedmore » existing functionality to do this. Specifically, we have built into NOX the capability to handle fully coupled simulations from multiple codes, and we have also built into NOX the capability to handle Jacobi Free Newton Krylov simulations that link multiple applications. We show how this capability may be accessed from within the Sierra Framework as well as from outside of Sierra. The critical impact from this LDRD is that we have shown how and have delivered strategies for enabling strong Newton-based coupling while respecting the modularity of existing codes. This will facilitate the use of these codes in a coupled manner to solve multi-physic applications.« less

Transient loads analysis for space flight applications

NASA Technical Reports Server (NTRS)

Thampi, S. K.; Vidyasagar, N. S.; Ganesan, N.

1992-01-01

A significant part of the flight readiness verification process involves transient analysis of the coupled Shuttle-payload system to determine the low frequency transient loads. This paper describes a methodology for transient loads analysis and its implementation for the Spacelab Life Sciences Mission. The analysis is carried out using two major software tools - NASTRAN and an external FORTRAN code called EZTRAN. This approach is adopted to overcome some of the limitations of NASTRAN's standard transient analysis capabilities. The method uses Data Recovery Matrices (DRM) to improve computational efficiency. The mode acceleration method is fully implemented in the DRM formulation to recover accurate displacements, stresses, and forces. The advantages of the method are demonstrated through a numerical example.

Flow Field Analysis of Fully Coupled Computations of a Flexible Wing undergoing Stall Flutter

DTIC Science & Technology

2016-01-01

unsteady aerodynamic loads due to structural displacements. In terms of actuation , most, if not all, active ∗Research Associate, Department of...flutter suppression techniques, conventional trailing edge flap actuators with a bandwidth of 10 Hz5 was used. Interestingly, the frequencies associated...influence of the flow features on the aeroelastic instability are quantified. Finally, the influence of actuation through a blowing port at 75% span is

Navier-Stokes simulation of plume/Vertical Launching System interaction flowfields

NASA Astrophysics Data System (ADS)

York, B. J.; Sinha, N.; Dash, S. M.; Anderson, L.; Gominho, L.

1992-01-01

The application of Navier-Stokes methodology to the analysis of Vertical Launching System/missile exhaust plume interactions is discussed. The complex 3D flowfields related to the Vertical Launching System are computed utilizing the PARCH/RNP Navier-Stokes code. PARCH/RNP solves the fully-coupled system of fluid, two-equation turbulence (k-epsilon) and chemical species equations via the implicit, approximately factored, Beam-Warming algorithm utilizing a block-tridiagonal inversion procedure.

Spin-orbit coupled potential energy surfaces and properties using effective relativistic coupling by asymptotic representation.

PubMed

Ndome, Hameth; Eisfeld, Wolfgang

2012-08-14

A new method has been reported recently [H. Ndome, R. Welsch, and W. Eisfeld, J. Chem. Phys. 136, 034103 (2012)] that allows the efficient generation of fully coupled potential energy surfaces (PESs) including derivative and spin-orbit (SO) coupling. The method is based on the diabatic asymptotic representation of the molecular fine structure states and an effective relativistic coupling operator and therefore is called effective relativistic coupling by asymptotic representation (ERCAR). The resulting diabatic spin-orbit coupling matrix is constant and the geometry dependence of the coupling between the eigenstates is accounted for by the diabatization. This approach allows to generate an analytical model for the fully coupled PESs without performing any ab initio SO calculations (except perhaps for the atoms) and thus is very efficient. In the present work, we study the performance of this new method for the example of hydrogen iodide as a well-established test case. Details of the diabatization and the accuracy of the results are investigated in comparison to reference ab initio calculations. The energies of the adiabatic fine structure states are reproduced in excellent agreement with reference ab initio data. It is shown that the accuracy of the ERCAR approach mainly depends on the quality of the underlying ab initio data. This is also the case for dissociation and vibrational level energies, which are influenced by the SO coupling. A method is presented how one-electron operators and the corresponding properties can be evaluated in the framework of the ERCAR approach. This allows the computation of dipole and transition moments of the fine structure states in good agreement with ab initio data. The new method is shown to be very promising for the construction of fully coupled PESs for more complex polyatomic systems to be used in quantum dynamics studies.

An automated method for the analysis of phenolic acids in plasma based on ion-pairing micro-extraction coupled on-line to gas chromatography/mass spectrometry with in-liner derivatisation.

PubMed

Peters, Sonja; Kaal, Erwin; Horsting, Iwan; Janssen, Hans-Gerd

2012-02-24

A new method is presented for the analysis of phenolic acids in plasma based on ion-pairing 'Micro-extraction in packed sorbent' (MEPS) coupled on-line to in-liner derivatisation-gas chromatography-mass spectrometry (GC-MS). The ion-pairing reagent served a dual purpose. It was used both to improve extraction yields of the more polar analytes and as the methyl donor in the automated in-liner derivatisation method. In this way, a fully automated procedure for the extraction, derivatisation and injection of a wide range of phenolic acids in plasma samples has been obtained. An extensive optimisation of the extraction and derivatisation procedure has been performed. The entire method showed excellent repeatabilities of under 10% and linearities of 0.99 or better for all phenolic acids. The limits of detection of the optimised method for the majority of phenolic acids were 10ng/mL or lower with three phenolic acids having less-favourable detection limits of around 100 ng/mL. Finally, the newly developed method has been applied in a human intervention trial in which the bioavailability of polyphenols from wine and tea was studied. Forty plasma samples could be analysed within 24h in a fully automated method including sample extraction, derivatisation and gas chromatographic analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

Using Fully Coupled Hydro-Geomechanical Numerical Test Bed to Study Reservoir Stimulation with Low Hydraulic Pressure

DOE Data Explorer

Fu, Pengcheng; Johnson, Scott M.; Carrigan, Charles R.

2012-01-31

This paper documents our effort to use a fully coupled hydro-geomechanical numerical test bed to study using low hydraulic pressure to stimulate geothermal reservoirs with existing fracture network. In this low pressure stimulation strategy, fluid pressure is lower than the minimum in situ compressive stress, so the fractures are not completely open but permeability improvement can be achieved through shear dilation. We found that in this low pressure regime, the coupling between the fluid phase and the rock solid phase becomes very simple, and the numerical model can achieve a low computational cost. Using this modified model, we study the behavior of a single fracture and a random fracture network.

Evaluation and analysis on the coupling performance of a high-speed turboexpander compressor

NASA Astrophysics Data System (ADS)

Chen, Shuangtao; Fan, Yufeng; Yang, Shanju; Chen, Xingya; Hou, Yu

2017-12-01

A high-speed turboexpander compressor (TEC) for small reverse Brayton air refrigerator is tested and analyzed in the present work. A TEC consists of an expander and a compressor, which are coupled together and interact with each other directly. Meanwhile, the expander and compressor have different effects on the refrigerator. The TEC overall efficiency, which contains effects of the expander's expansion, the compressor's pre-compression, and the pressure drop between them, was proved. It unifies influences of both compression and expansion processes on the COP of refrigerator and could be used to evaluate the TEC overall performance. Then, the coupling parameters were analyzed, which shows that for a TEC, the expander efficiency should be fully utilized first, followed by the compressor pressure ratio. Experiments were carried out to test the TEC coupling performances. The results indicated that, the TEC overall efficiency could reach 67.2%, and meanwhile 22.3% of the energy output was recycled.

PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

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

Chambers, F W; Raymond, B A; Falabella, S

To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model ismore » coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.« less

45^○ sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co₃FeN/MnN bilayers.

PubMed

Hajiri, Tetsuya; Yoshida, Takuya; Filianina, Mariia; Jaiswal, Samridh; Borie, Benjamin; Asano, H; Zabel, Hartmut; Klaui, Mathias

2017-11-20

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45$^\\circ$ period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co$_3$FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies. © 2017 IOP Publishing Ltd.

Fully coupled approach to modeling shallow water flow, sediment transport, and bed evolution in rivers

NASA Astrophysics Data System (ADS)

Li, Shuangcai; Duffy, Christopher J.

2011-03-01

Our ability to predict complex environmental fluid flow and transport hinges on accurate and efficient simulations of multiple physical phenomenon operating simultaneously over a wide range of spatial and temporal scales, including overbank floods, coastal storm surge events, drying and wetting bed conditions, and simultaneous bed form evolution. This research implements a fully coupled strategy for solving shallow water hydrodynamics, sediment transport, and morphological bed evolution in rivers and floodplains (PIHM_Hydro) and applies the model to field and laboratory experiments that cover a wide range of spatial and temporal scales. The model uses a standard upwind finite volume method and Roe's approximate Riemann solver for unstructured grids. A multidimensional linear reconstruction and slope limiter are implemented, achieving second-order spatial accuracy. Model efficiency and stability are treated using an explicit-implicit method for temporal discretization with operator splitting. Laboratory-and field-scale experiments were compiled where coupled processes across a range of scales were observed and where higher-order spatial and temporal accuracy might be needed for accurate and efficient solutions. These experiments demonstrate the ability of the fully coupled strategy in capturing dynamics of field-scale flood waves and small-scale drying-wetting processes.

Fully coupled simulation of multiple hydraulic fractures to propagate simultaneously from a perforated horizontal wellbore

NASA Astrophysics Data System (ADS)

Zeng, Qinglei; Liu, Zhanli; Wang, Tao; Gao, Yue; Zhuang, Zhuo

2018-02-01

In hydraulic fracturing process in shale rock, multiple fractures perpendicular to a horizontal wellbore are usually driven to propagate simultaneously by the pumping operation. In this paper, a numerical method is developed for the propagation of multiple hydraulic fractures (HFs) by fully coupling the deformation and fracturing of solid formation, fluid flow in fractures, fluid partitioning through a horizontal wellbore and perforation entry loss effect. The extended finite element method (XFEM) is adopted to model arbitrary growth of the fractures. Newton's iteration is proposed to solve these fully coupled nonlinear equations, which is more efficient comparing to the widely adopted fixed-point iteration in the literatures and avoids the need to impose fluid pressure boundary condition when solving flow equations. A secant iterative method based on the stress intensity factor (SIF) is proposed to capture different propagation velocities of multiple fractures. The numerical results are compared with theoretical solutions in literatures to verify the accuracy of the method. The simultaneous propagation of multiple HFs is simulated by the newly proposed algorithm. The coupled influences of propagation regime, stress interaction, wellbore pressure loss and perforation entry loss on simultaneous propagation of multiple HFs are investigated.

Probing the Higgs Couplings to Photons in h→4l at the LHC

DOE PAGES

Chen, Yi; Harnik, Roni; Vega-Morales, Roberto

2014-11-01

We explore the sensitivity of the Higgs decay to four leptons, the so-called golden channel, to higher dimensional loop-induced couplings of the Higgs boson tomore » $ZZ$, $$Z\\gamma$$, and $$\\gamma\\gamma$$, allowing for general CP mixtures. The larger standard model tree level coupling $$hZ^\\mu Z_\\mu$$ is the dominant "background" for the loop induced couplings. However this large background interferes with the smaller loop induced couplings, enhancing the sensitivity. We perform a maximum likelihood analysis based on analytic expressions of the fully differential decay width for $$h\\to 4\\ell$$ ($$4\\ell \\equiv 2e2\\mu, 4e, 4\\mu$$) including all interference effects. We find that the spectral shapes induced by Higgs couplings to photons are particularly different than the $$hZ^\\mu Z_\\mu$$ background leading to enhanced sensitivity to these couplings. We show that even if the $$h\\to\\gamma\\gamma$$ and $$h\\to 4\\ell$$ rates agree with that predicted by the Standard Model, the golden channel has the potential to probe both the CP nature as well as the overall sign of the Higgs coupling to photons well before the end of high-luminosity LHC running ($$\\sim$$3 ab$$^{-1}$$).« less

Bifurcation Analysis of an Electrostatically Actuated Nano-Beam Based on Modified Couple Stress Theory

NASA Astrophysics Data System (ADS)

Rezaei Kivi, Araz; Azizi, Saber; Norouzi, Peyman

2017-12-01

In this paper, the nonlinear size-dependent static and dynamic behavior of an electrostatically actuated nano-beam is investigated. A fully clamped nano-beam is considered for the modeling of the deformable electrode of the NEMS. The governing differential equation of the motion is derived using Hamiltonian principle based on couple stress theory; a non-classical theory for considering length scale effects. The nonlinear partial differential equation of the motion is discretized to a nonlinear Duffing type ODE's using Galerkin method. Static and dynamic pull-in instabilities obtained by both classical theory and MCST are compared. At the second stage of analysis, shooting technique is utilized to obtain the frequency response curve, and to capture the periodic solutions of the motion; the stability of the periodic solutions are gained by Floquet theory. The nonlinear dynamic behavior of the deformable electrode due to the AC harmonic accompanied with size dependency is investigated.

Enhancing the ABAQUS Thermomechanics Code to Simulate Steady and Transient Fuel Rod Behavior

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

R. L. Williamson; D. A. Knoll

2009-09-01

A powerful multidimensional fuels performance capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth , gap heat transfer, and gap/plenum gas behavior during irradiation. The various modeling capabilities are demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multi-pellet fuel rod, during both steady and transient operation. Computational results demonstrate the importancemore » of a multidimensional fully-coupled thermomechanics treatment. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermo-mechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

Unveiling non-stationary coupling between Amazon and ocean during recent extreme events

NASA Astrophysics Data System (ADS)

Ramos, Antônio M. de T.; Zou, Yong; de Oliveira, Gilvan Sampaio; Kurths, Jürgen; Macau, Elbert E. N.

2018-02-01

The interplay between extreme events in the Amazon's precipitation and the anomaly in the temperature of the surrounding oceans is not fully understood, especially its causal relations. In this paper, we investigate the climatic interaction between these regions from 1999 until 2012 using modern tools of complex system science. We identify the time scale of the coupling quantitatively and unveil the non-stationary influence of the ocean's temperature. The findings show consistently the distinctions between the coupling in the recent major extreme events in Amazonia, such as the two droughts that happened in 2005 and 2010 and the three floods during 1999, 2009 and 2012. Interestingly, the results also reveal the influence over the anomalous precipitation of Southwest Amazon has become increasingly lagged. The analysis can shed light on the underlying dynamics of the climate network system and consequently can improve predictions of extreme rainfall events.

Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior

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

R. L. Williamson

A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete andmore » smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

A New Coupled Ocean-Waves-Atmosphere Model Designed for Tropical Storm Studies: Example of Tropical Cyclone Bejisa (2013-2014) in the South-West Indian Ocean

NASA Astrophysics Data System (ADS)

Pianezze, J.; Barthe, C.; Bielli, S.; Tulet, P.; Jullien, S.; Cambon, G.; Bousquet, O.; Claeys, M.; Cordier, E.

2018-03-01

Ocean-Waves-Atmosphere (OWA) exchanges are not well represented in current Numerical Weather Prediction (NWP) systems, which can lead to large uncertainties in tropical cyclone track and intensity forecasts. In order to explore and better understand the impact of OWA interactions on tropical cyclone modeling, a fully coupled OWA system based on the atmospheric model Meso-NH, the oceanic model CROCO, and the wave model WW3 and called MSWC was designed and applied to the case of tropical cyclone Bejisa (2013-2014). The fully coupled OWA simulation shows good agreement with the literature and available observations. In particular, simulated significant wave height is within 30 cm of measurements made with buoys and altimeters. Short-term (< 2 days) sensitivity experiments used to highlight the effect of oceanic waves coupling show limited impact on the track, the intensity evolution, and the turbulent surface fluxes of the tropical cyclone. However, it is also shown that using a fully coupled OWA system is essential to obtain consistent sea salt emissions. Spatial and temporal coherence of the sea state with the 10 m wind speed are necessary to produce sea salt aerosol emissions in the right place (in the eyewall of the tropical cyclone) and with the right size distribution, which is critical for cloud microphysics.

“Bad Romance”: Links between Psychological and Physical Aggression and Relationship Functioning in Adolescent Couples

PubMed Central

Seiffge-Krenke, Inge; Burk, William J.

2015-01-01

Assortative mating is an important issue in explaining antisocial, aggressive behavior. It is yet unclear, whether the similarity paradigm fully explains frequent displays of aggression in adolescents’ romantic relationships. In a sample of 194 romantic partner dyads, differences between female and male partners’ reports of aggression (psychological and physical) and different measures of relationship functioning (e.g., jealousy, conflicts, and the affiliative and romantic quality of the relationship) were assessed. A hierarchical cluster analysis identified five distinct subgroups of dyads based on male and female reports of psychological and physical aggression: nonaggressive couples, couples with higher perceived aggressiveness (both physical and psychological) by females, couples with higher aggressiveness perceived by males and mutually aggressive couples. A substantial number of non-aggressive dyads emerged. Of note was the high number of females showing one-sided aggression, which was, however, not countered by their partner. The mutually aggressive couples showed the least adaptive relationship functioning, with a lack of supportive, trusting relationship qualities, high conflict rates and high jealousy. The discussion focuses on the different functions of aggression in these early romantic relations, and the aggravating impact of mutual aggression on relationship functioning and its potential antisocial outcomes. PMID:26067515

A Variational Formulation for the Finite Element Analysis of Sound Wave Propagation in a Spherical Shell

NASA Technical Reports Server (NTRS)

Lebiedzik, Catherine

1995-01-01

Development of design tools to furnish optimal acoustic environments for lightweight aircraft demands the ability to simulate the acoustic system on a workstation. In order to form an effective mathematical model of the phenomena at hand, we have begun by studying the propagation of acoustic waves inside closed spherical shells. Using a fully-coupled fluid-structure interaction model based upon variational principles, we have written a finite element analysis program and are in the process of examining several test cases. Future investigations are planned to increase model accuracy by incorporating non-linear and viscous effects.

Report Viewgraphs for IC project: Fully-coupled climate simulations with an eddy-permitting ocean component

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

Veneziani, Carmela

Two sets of simulations were performed within this allocation: 1) a 12-year fully-coupled experiment in preindustrial conditions, using the CICE4 version of the sea-ice model; 2) a set of multi-decadal ocean-ice-only experiments, forced with CORE-I atmospheric fields and using the CICE5 version of the sea-ice model. Results from simulation 1) are presented in Figures 1-3, and specific results from a simulation in 2) with tracer releases are presented in Figure 4.

Coupled nonlinear aeroelasticity and flight dynamics of fully flexible aircraft

NASA Astrophysics Data System (ADS)

Su, Weihua

This dissertation introduces an approach to effectively model and analyze the coupled nonlinear aeroelasticity and flight dynamics of highly flexible aircraft. A reduced-order, nonlinear, strain-based finite element framework is used, which is capable of assessing the fundamental impact of structural nonlinear effects in preliminary vehicle design and control synthesis. The cross-sectional stiffness and inertia properties of the wings are calculated along the wing span, and then incorporated into the one-dimensional nonlinear beam formulation. Finite-state unsteady subsonic aerodynamics is used to compute airloads along lifting surfaces. Flight dynamic equations are then introduced to complete the aeroelastic/flight dynamic system equations of motion. Instead of merely considering the flexibility of the wings, the current work allows all members of the vehicle to be flexible. Due to their characteristics of being slender structures, the wings, tail, and fuselage of highly flexible aircraft can be modeled as beams undergoing three dimensional displacements and rotations. New kinematic relationships are developed to handle the split beam systems, such that fully flexible vehicles can be effectively modeled within the existing framework. Different aircraft configurations are modeled and studied, including Single-Wing, Joined-Wing, Blended-Wing-Body, and Flying-Wing configurations. The Lagrange Multiplier Method is applied to model the nodal displacement constraints at the joint locations. Based on the proposed models, roll response and stability studies are conducted on fully flexible and rigidized models. The impacts of the flexibility of different vehicle members on flutter with rigid body motion constraints, flutter in free flight condition, and roll maneuver performance are presented. Also, the static stability of the compressive member of the Joined-Wing configuration is studied. A spatially-distributed discrete gust model is incorporated into the time simulation of the framework. Gust responses of the Flying-Wing configuration subject to stall effects are investigated. A bilinear torsional stiffness model is introduced to study the skin wrinkling due to large bending curvature of the Flying-Wing. The numerical studies illustrate the improvements of the existing reduced-order formulation with new capabilities of both structural modeling and coupled aeroelastic and flight dynamic analysis of fully flexible aircraft.

Mode Profiles in Waveguide-Coupled Resonators

NASA Technical Reports Server (NTRS)

Hunt, William D.; Cameron, Tom; Saw, John C. B.; Kim, Yoonkee

1993-01-01

Surface acoustic wave (SAW) waveguide-coupled resonators are of considerable interest for narrow-band filter applications, though to date there has been very little published on the acoustic details of their operation. As in any resonator, one must fully understand its mode structure and herein we study the SAW mode profiles in these devices. Transverse mode profiles in the resonant cavity of the device were measured at various frequencies of interest using a knife-edge laser probe. In addition we predict the mode profiles for the device structure by two independent methods. One is a stack-matrix approach adapted from integrated optics and the other is a conventional analytical eigenmode analysis of the Helmholtz equation. Both modeling techniques are in good agreement with the measured results.

Novel, Integrated Reactor / Power Conversion System (LMR-AMTEC)

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

Pablo Rubiolo, Principal Investigator

2003-03-21

The main features of this project were the development of a long life (up to 10 years) Liquid Metal Reactor (LMR) and a static conversion subsystem comprising an Alkali Metal Thermal-to-Electric (AMTEC) topping cycle and a ThermoElectric (TE) Bottom cycle. Various coupling options of the LMR with the energy conversion subsystem were explored and, base in the performances found in this analysis, an Indirect Coupling (IC) between the LMR and the AMTEC/TE converters with Alkali Metal Boilers (AMB) was chosen as the reference design. The performance model of the fully integrated sodium-and potassium-AMTEC/TE converters shows that a combined conversion efficiencymore » in excess of 30% could be achieved by the plant. (B204)« less

User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

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

Fakcharoenphol, Perapon; Xiong, Yi; Hu, Litang

TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transportmore » calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.« less

Simulated glass-forming polymer melts: dynamic scattering functions, chain length effects, and mode-coupling theory analysis.

PubMed

Frey, S; Weysser, F; Meyer, H; Farago, J; Fuchs, M; Baschnagel, J

2015-02-01

We present molecular-dynamics simulations for a fully flexible model of polymer melts with different chain length N ranging from short oligomers (N = 4) to values near the entanglement length (N = 64). For these systems we explore the structural relaxation of the supercooled melt near the critical temperature T c of mode-coupling theory (MCT). Coherent and incoherent scattering functions are analyzed in terms of the idealized MCT. For temperatures T > T c we provide evidence for the space-time factorization property of the β relaxation and for the time-temperature superposition principle (TTSP) of the α relaxation, and we also discuss deviations from these predictions for T ≈ T c. For T larger than the smallest temperature where the TTSP holds we perform a quantitative analysis of the dynamics with the asymptotic MCT predictions for the late β regime. Within MCT a key quantity, in addition to T c, is the exponent parameter λ. For the fully flexible polymer models studied we find that λ is independent of N and has a value (λ = 0.735 ) typical of simple glass-forming liquids. On the other hand, the critical temperature increases with chain length toward an asymptotic value T c (∞) . This increase can be described by T c (∞) - T c(N) ∼ 1/N and may be interpreted in terms of the N dependence of the monomer density ρ, if we assume that the MCT glass transition is ruled by a soft-sphere-like constant coupling parameter Γ c = ρ c T c (-1/4), where ρ c is the monomer density at T c. In addition, we also estimate T c from a Hansen-Verlet-like criterion and MCT calculations based on structural input from the simulation. For our polymer model both the Hansen-Verlet criterion and the MCT calculations suggest T c to decrease with increasing chain length, in contrast to the direct analysis of the simulation data.

Effective coupled optoelectrical design method for fully infiltrated semiconductor nanowires based hybrid solar cells.

PubMed

Wu, Dan; Tang, Xiaohong; Wang, Kai; Li, Xianqiang

2016-10-31

We present a novel coupled design method that both optimizes light absorption and predicts electrical performance of fully infiltrated inorganic semiconductor nanowires (NWs) based hybrid solar cells (HSC). This method provides a thorough insight of hybrid photovoltaic process as a function of geometrical parameters of NWs. An active layer consisting of GaAs NWs as acceptor and poly(3-hexylthiophene-2,5-diyl) (P3HT) as donor were used as a design example. Absorption spectra features were studied by the evolution of the leaky modes and Fabry-Perot resonance with wavelength focusing firstly on the GaAs/air layer before extending to GaAs/P3HT hybrid active layer. The highest absorption efficiency reached 39% for the hybrid active layer of 2 μm thickness under AM 1.5G illumination. Combined with the optical absorption analysis, our method further codesigns the energy harvesting to predict electrical performance of HSC considering exciton dissociation efficiencies within both inorganic NWs and a polymeric shell of 20 nm thickness. The validity of the simulation model was also proved by the well agreement of the simulation results with the published experimental work indicating an effective guidance for future high performance HSC design.

Direct numerical simulation of human phonation

NASA Astrophysics Data System (ADS)

Saurabh, Shakti; Bodony, Daniel

2016-11-01

A direct numerical simulation study of the generation and propagation of the human voice in a full-body domain is conducted. A fully compressible fluid flow model, anatomically representative vocal tract geometry, finite deformation model for vocal fold (VF) motion and a fully coupled fluid-structure interaction model are employed. The dynamics of the multi-layered VF tissue with varying stiffness are solved using a quadratic finite element code. The fluid-solid domains are coupled through a boundary-fitted interface and utilize a Poisson equation-based mesh deformation method. A new inflow boundary condition, based upon a quasi-1D formulation with constant sub-glottal volume velocity, linked to the VF movement, has been adopted. Simulations for both child and adult phonation were performed. Acoustic characteristics obtained from these simulation are consistent with expected values. A sensitivity analysis based on VF stiffness variation is undertaken and sound pressure level/fundamental frequency trends are established. An evaluation of the data against the commonly-used quasi-1D equations suggest that the latter are not sufficient to model phonation. Phonation threshold pressures are measured for several VF stiffness variations and comparisons to clinical data are carried out. Supported by the National Science Foundation (CAREER Award Number 1150439).

Simple full micromagnetic model of exchange bias behavior in ferro/antiferromagnetic layered structures (abstract)

NASA Astrophysics Data System (ADS)

Koon, Norman C.

1997-04-01

It is shown using full micromagnetic relaxation calculations that exchange bias behavior is predicted for single-crystal ferro/antiferromagnetic layers with a fully compensated interface. The particular example most fully studied has a bcc/bct lattice structure with a fully compensated (110) interface plane. Only bilinear Heisenberg exchange was assumed, with anisotropy only in the antiferromagnet. In spite of the intuitive notion that exchange coupling between a ferromagnet and an antiferromagnet across a fully compensated plane of the antiferromagnet should be zero, we find strong coupling, comparable to the bilinear exchange, with a 90° angle between the ferromagnetic and antiferromagnetic axes of layers far from the interface in absence of an applied field. Even though the 90° coupling has characteristics resembling "biquadratic" exchange, it originates entirely from frustrated bilinear exchange. The development of exchange bias is found to originate from the formation of a domain wall in the antiferromagnet via the strong 90° exchange coupling and pinning of the wall by the magnetocrystalline anisotropy in the antiferromagnet. Because the large demagnetizing factor of the ferromagnet tends to confine its magnetization to the plane, the exchange bias is found to depend mainly on the strength and the symmetry of the in-plane component of anisotropy. Although little effort was made to analyze specific systems, the model reproduces many of the qualitative features observed in real exchange bias systems and gives reasonable semiquantitative estimates for the bias field when exchange and anisotropy values consistent with real systems are used.

Fully-Coupled Dynamical Jitter Modeling of Momentum Exchange Devices

NASA Astrophysics Data System (ADS)

Alcorn, John

A primary source of spacecraft jitter is due to mass imbalances within momentum exchange devices (MEDs) used for fine pointing, such as reaction wheels (RWs) and variable-speed control moment gyroscopes (VSCMGs). Although these effects are often characterized through experimentation in order to validate pointing stability requirements, it is of interest to include jitter in a computer simulation of the spacecraft in the early stages of spacecraft development. An estimate of jitter amplitude may be found by modeling MED imbalance torques as external disturbance forces and torques on the spacecraft. In this case, MED mass imbalances are lumped into static and dynamic imbalance parameters, allowing jitter force and torque to be simply proportional to wheel speed squared. A physically realistic dynamic model may be obtained by defining mass imbalances in terms of a wheel center of mass location and inertia tensor. The fully-coupled dynamic model allows for momentum and energy validation of the system. This is often critical when modeling additional complex dynamical behavior such as flexible dynamics and fuel slosh. Furthermore, it is necessary to use the fully-coupled model in instances where the relative mass properties of the spacecraft with respect to the RWs cause the simplified jitter model to be inaccurate. This thesis presents a generalized approach to MED imbalance modeling of a rigid spacecraft hub with N RWs or VSCMGs. A discussion is included to convert from manufacturer specifications of RW imbalances to the parameters introduced within each model. Implementations of the fully-coupled RW and VSCMG models derived within this thesis are released open-source as part of the Basilisk astrodynamics software.

Ocean-Atmosphere Coupled Model Simulations of Precipitation in the Central Andes

NASA Technical Reports Server (NTRS)

Nicholls, Stephen D.; Mohr, Karen I.

2015-01-01

The meridional extent and complex orography of the South American continent contributes to a wide diversity of climate regimes ranging from hyper-arid deserts to tropical rainforests to sub-polar highland regions. In addition, South American meteorology and climate are also made further complicated by ENSO, a powerful coupled ocean-atmosphere phenomenon. Modelling studies in this region have typically resorted to either atmospheric mesoscale or atmosphere-ocean coupled global climate models. The latter offers full physics and high spatial resolution, but it is computationally inefficient typically lack an interactive ocean, whereas the former offers high computational efficiency and ocean-atmosphere coupling, but it lacks adequate spatial and temporal resolution to adequate resolve the complex orography and explicitly simulate precipitation. Explicit simulation of precipitation is vital in the Central Andes where rainfall rates are light (0.5-5 mm hr-1), there is strong seasonality, and most precipitation is associated with weak mesoscale-organized convection. Recent increases in both computational power and model development have led to the advent of coupled ocean-atmosphere mesoscale models for both weather and climate study applications. These modelling systems, while computationally expensive, include two-way ocean-atmosphere coupling, high resolution, and explicit simulation of precipitation. In this study, we use the Coupled Ocean-Atmosphere-Wave-Sediment Transport (COAWST), a fully-coupled mesoscale atmosphere-ocean modeling system. Previous work has shown COAWST to reasonably simulate the entire 2003-2004 wet season (Dec-Feb) as validated against both satellite and model analysis data when ECMWF interim analysis data were used for boundary conditions on a 27-9-km grid configuration (Outer grid extent: 60.4S to 17.7N and 118.6W to 17.4W).

Assessment of analytical techniques for predicting solid propellant exhaust plumes and plume impingement environments

NASA Technical Reports Server (NTRS)

Tevepaugh, J. A.; Smith, S. D.; Penny, M. M.

1977-01-01

An analysis of experimental nozzle, exhaust plume, and exhaust plume impingement data is presented. The data were obtained for subscale solid propellant motors with propellant Al loadings of 2, 10 and 15% exhausting to simulated altitudes of 50,000, 100,000 and 112,000 ft. Analytical predictions were made using a fully coupled two-phase method of characteristics numerical solution and a technique for defining thermal and pressure environments experienced by bodies immersed in two-phase exhaust plumes.

Offshore wellbore stability analysis based on fully coupled poro-thermo-elastic theory

NASA Astrophysics Data System (ADS)

Cao, Wenke; Deng, Jingen; Yu, Baohua; Liu, Wei; Tan, Qiang

2017-03-01

Drilling-induced tensile fractures are usually caused when the weight of mud is too high, and the effective tangential stress becomes tensile. It is thus hard to explain why tensile fractures are distributed along the lower part of a hole in an offshore exploration well when the mud weight is low. According to analysis, the reason could be the thermal effect, which cannot be ignored because of the drilling fluid and the cooling action of sea water during circulation. A heat transfer model is set up to obtain the temperature distribution of the wellbore and its formation by the finite difference method. Then, fully coupled poro-thermo-elastic theory is used to study the pore pressure and effective stress around the wellbore. By comparing it with both poroelastic and elastic models, it is indicated that the poroelastic effect is dominant at the beginning of circulation and inhibits tensile fractures from forming; then, the thermal effect becomes more important and decreases the effective tangential stress with the passing of time, so the drilling fluid and the cooling effect of sea water can cause tensile fractures to happen. Meanwhile, tensile fractures are shallow and not likely to lead to mud leakage with lower mud weight, which agrees with the actual drilling process. On the other hand, the fluid cooling effect could increase the strength of the rock and reduce the likelihood of shear failure, which would be beneficial for wellbore stability. So, the thermal effect cannot be neglected in offshore wellbore stability analysis, and mud weight and borehole exposure time should be controlled in the case of mud loss.

SLAMMER: Seismic LAndslide Movement Modeled using Earthquake Records

USGS Publications Warehouse

Jibson, Randall W.; Rathje, Ellen M.; Jibson, Matthew W.; Lee, Yong W.

2013-01-01

This program is designed to facilitate conducting sliding-block analysis (also called permanent-deformation analysis) of slopes in order to estimate slope behavior during earthquakes. The program allows selection from among more than 2,100 strong-motion records from 28 earthquakes and allows users to add their own records to the collection. Any number of earthquake records can be selected using a search interface that selects records based on desired properties. Sliding-block analyses, using any combination of rigid-block (Newmark), decoupled, and fully coupled methods, are then conducted on the selected group of records, and results are compiled in both graphical and tabular form. Simplified methods for conducting each type of analysis are also included.

Inter-comparison of isotropic and anisotropic sea ice rheology in a fully coupled model

NASA Astrophysics Data System (ADS)

Roberts, A.; Cassano, J. J.; Maslowski, W.; Osinski, R.; Seefeldt, M. W.; Hughes, M.; Duvivier, A.; Nijssen, B.; Hamman, J.; Hutchings, J. K.; Hunke, E. C.

2015-12-01

We present the sea ice climate of the Regional Arctic System Model (RASM), using a suite of new physics available in the Los Alamos Sea Ice Model (CICE5). RASM is a high-resolution fully coupled pan-Arctic model that also includes the Parallel Ocean Program (POP), the Weather Research and Forecasting Model (WRF) and Variable Infiltration Capacity (VIC) land model. The model domain extends from ~45˚N to the North Pole and is configured to run at ~9km resolution for the ice and ocean components, coupled to 50km resolution atmosphere and land models. The baseline sea ice model configuration includes mushy-layer sea ice thermodynamics and level-ice melt ponds. Using this configuration, we compare the use of isotropic and anisotropic sea ice mechanics, and evaluate model performance using these two variants against observations including Arctic buoy drift and deformation, satellite-derived drift and deformation, and sea ice volume estimates from ICESat. We find that the isotropic rheology better approximates spatial patterns of thickness observed across the Arctic, but that both rheologies closely approximate scaling laws observed in the pack using buoys and RGPS data. A fundamental component of both ice mechanics variants, the so called Elastic-Viscous-Plastic (EVP) and Anisotropic-Elastic-Plastic (EAP), is that they are highly sensitive to the timestep used for elastic sub-cycling in an inertial-resolving coupled framework, and this has a significant affect on surface fluxes in the fully coupled framework.

Photoionization of Ne8+

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Abdel-Naby, Sh. A.; Robicheaux, F.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Ne8+ are calculated using a non-perturbative fully relativistic time-dependent close-coupling method. A Bessel function expansion is used to include both dipole and quadrupole effects in the radiation field interaction and the repulsive interaction between electrons includes both the Coulomb and Gaunt interactions. The fully correlated ground state of Ne8+ is obtained by solving a time-independent inhomogeneous set of close-coupled equations. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ at energies easily accessible at advanced free electron laser facilities. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

NASA Technical Reports Server (NTRS)

Grossman, B.; Cinnella, P.

1990-01-01

The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

8D likelihood effective Higgs couplings extraction framework in h → 4ℓ

DOE PAGES

Chen, Yi; Di Marco, Emanuele; Lykken, Joe; ...

2015-01-23

We present an overview of a comprehensive analysis framework aimed at performing direct extraction of all possible effective Higgs couplings to neutral electroweak gauge bosons in the decay to electrons and muons, the so called ‘golden channel’. Our framework is based primarily on a maximum likelihood method constructed from analytic expressions of the fully differential cross sections for h → 4l and for the dominant irreduciblemore » $$ q\\overline{q} $$ → 4l background, where 4l = 2e2μ, 4e, 4μ. Detector effects are included by an explicit convolution of these analytic expressions with the appropriate transfer function over all center of mass variables. Utilizing the full set of observables, we construct an unbinned detector-level likelihood which is continuous in the effective couplings. We consider possible ZZ, Zγ, and γγ couplings simultaneously, allowing for general CP odd/even admixtures. A broad overview is given of how the convolution is performed and we discuss the principles and theoretical basis of the framework. This framework can be used in a variety of ways to study Higgs couplings in the golden channel using data obtained at the LHC and other future colliders.« less

Ocean-Forced Ice-Shelf Thinning in a Synchronously Coupled Ice-Ocean Model

NASA Astrophysics Data System (ADS)

Jordan, James R.; Holland, Paul R.; Goldberg, Dan; Snow, Kate; Arthern, Robert; Campin, Jean-Michel; Heimbach, Patrick; Jenkins, Adrian

2018-02-01

The first fully synchronous, coupled ice shelf-ocean model with a fixed grounding line and imposed upstream ice velocity has been developed using the MITgcm (Massachusetts Institute of Technology general circulation model). Unlike previous, asynchronous, approaches to coupled modeling our approach is fully conservative of heat, salt, and mass. Synchronous coupling is achieved by continuously updating the ice-shelf thickness on the ocean time step. By simulating an idealized, warm-water ice shelf we show how raising the pycnocline leads to a reduction in both ice-shelf mass and back stress, and hence buttressing. Coupled runs show the formation of a western boundary channel in the ice-shelf base due to increased melting on the western boundary due to Coriolis enhanced flow. Eastern boundary ice thickening is also observed. This is not the case when using a simple depth-dependent parameterized melt, as the ice shelf has relatively thinner sides and a thicker central "bulge" for a given ice-shelf mass. Ice-shelf geometry arising from the parameterized melt rate tends to underestimate backstress (and therefore buttressing) for a given ice-shelf mass due to a thinner ice shelf at the boundaries when compared to coupled model simulations.

Heinrich events simulated across the glacial

NASA Astrophysics Data System (ADS)

Ziemen, F. A.; Mikolajewicz, U.

2015-12-01

Heinrich events are among the most prominent climate change events recorded in proxies across the northern hemisphere. They are the archetype of ice sheet — climate interactions on millennial time scales. Nevertheless, the exact mechanisms that cause Heinrich events are still under discussion, and their climatic consequences are far from being fully understood. We contribute to answering the open questions by studying Heinrich events in a coupled ice sheet model (ISM) atmosphere-ocean-vegetation general circulation model (AOVGCM) framework, where this variability occurs as part of the model generated internal variability. The setup consists of a northern hemisphere setup of the modified Parallel Ice Sheet Model (mPISM) coupled to the global AOVGCM ECHAM5/MPIOM/LPJ. The simulations were performed fully coupled and with transient orbital and greenhouse gas forcing. They span from several millennia before the last glacial maximum into the deglaciation. We analyze simulations where the ISM is coupled asynchronously to the AOVGCM and simulations where the ISM and the ocean model are coupled synchronously and the atmosphere model is coupled asynchronously to them. The modeled Heinrich events show a marked influence of the ice discharge on the Atlantic circulation and heat transport.

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

Wendt, Fabian F; Damiani, Rick R

This poster summarizes the scope and preliminary results of a study conducted for the Bureau of Safety and Environmental Enforcement aimed at quantifying differences between two modeling approaches (fully coupled and sequentially coupled) through aero-hydro-servo-elastic simulations of two offshore wind turbines on a monopile and jacket substructure.

Verification and Validation of COAMPS: Results from a Fully-Coupled Air/Sea/Wave Modeling System

NASA Astrophysics Data System (ADS)

Smith, T.; Allard, R. A.; Campbell, T. J.; Chu, Y. P.; Dykes, J.; Zamudio, L.; Chen, S.; Gabersek, S.

2016-02-01

The Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS) is a state-of-the art, fully-coupled air/sea/wave modeling system that is currently being validated for operational transition to both the Naval Oceanographic Office (NAVO) and to the Fleet Numerical Meteorology and Oceanography Center (FNMOC). COAMPS is run at the Department of Defense Supercomputing Resource Center (DSRC) operated by the DoD High Performance Computing Modernization Program (HPCMP). A total of four models including the Naval Coastal Ocean Model (NCOM), Simulating Waves Nearshore (SWAN), WaveWatch III, and the COAMPS atmospheric model are coupled through both the Earth System Modeling Framework (ESMF). Results from regions of naval operational interests, including the Western Atlantic (U.S. East Coast), RIMPAC (Hawaii), and DYNAMO (Indian Ocean), will show the advantages of utilizing a coupled modeling system versus an uncoupled or stand alone model. Statistical analyses, which include model/observation comparisons, will be presented in the form of operationally approved scorecards for both the atmospheric and oceanic output. Also, computational logistics involving the HPC resources for the COAMPS simulations will be shown.

Nonlinear cross-field coupling on the route to broadband turbulence

NASA Astrophysics Data System (ADS)

Brandt, Christian; Thakur, Saikat C.; Cui, Lang; Gosselin, Jordan J.; Negrete, Jose, Jr.; Holland, Chris; Tynan, George R.

2013-10-01

In the linear magnetized plasma device CSDX (Controlled Shear De-correlation eXperiment) drift interchange modes are studied coexisting on top of a weak turbulence driven azimuthally symmetric, radially sheared plasma flow. In helicon discharges (helicon antenna diameter 15 cm) with increasing magnetic field (B <= 0 . 24 T) the system can be driven to fully developed broadband turbulence. Fast imaging using a refractive telescope setup is applied to study the dynamics in the azimuthal-radial cross-section. The image data is supported by Langmuir probe measurements. In the present study we examine the development of nonlinear transfer as the fully developed turbulence emerges. Nonlinear cross-field coupling between eigenmodes at different radial positions is investigated using Fourier decomposition of azimuthal eigenmodes. The coupling strength between waves at different radial positions is inferred to radial profiles and cross-field transport between adjacent magnetic flux surfaces. Nonlinear effects like synchronization, phase slippages, phase pulling and periodic pulling are observed. The effects of mode coupling and the stability of modes is compared to the dynamics of a coupled chain of Kuramoto oscillators.

Towards Real-Time Pilot-in-the-Loop Simulation of Rotorcraft With Fully-Coupled CFD Solutions of Rotor / Terrain Interactions

NASA Astrophysics Data System (ADS)

Oruc, Ilker

This thesis presents the development of computationally efficient coupling of Navier-Stokes CFD with a helicopter flight dynamics model, with the ultimate goal of real-time simulation of fully coupled aerodynamic interactions between rotor flow and the surrounding terrain. A particular focus of the research is on coupled airwake effects in the helicopter / ship dynamic interface. A computationally efficient coupling interface was developed between the helicopter flight dynamics model, GENHEL-PSU and the Navier-Stokes solvers, CRUNCH/CRAFT-CFD using both FORTRAN and C/C++ programming languages. In order to achieve real-time execution speeds, the main rotor was modeled with a simplified actuator disk using unsteady momentum sources, instead of resolving the full blade geometry in the CFD. All the airframe components, including the fuselage are represented by single aerodynamic control points in the CFD calculations. The rotor downwash influence on the fuselage and empennage are calculated by using the CFD predicted local flow velocities at these aerodynamic control points defined on the helicopter airframe. In the coupled simulations, the flight dynamics model is free to move within a computational domain, where the main rotor forces are translated into source terms in the momentum equations of the Navier-Stokes equations. Simultaneously, the CFD calculates induced velocities those are fed back to the simulation and affect the aerodynamic loads in the flight dynamics. The CFD solver models the inflow, ground effect, and interactional aerodynamics in the flight dynamics simulation, and these calculations can be coupled with solution of the external flow (e.g. ship airwake effects). The developed framework was utilized for various investigations of hovering, forward flight and helicopter/terrain interaction simulations including standard ground effect, partial ground effect, sloped terrain, and acceleration in ground effect; and results compared with different flight and experimental data. In near ground cases, the fully-coupled flight dynamics and CFD simulations predicted roll oscillations due to interactions of the rotor downwash, ground plane, and the feedback controller, which are not predicted by the conventional simulation models. Fully coupled simulations of a helicopter accelerating near ground predicted flow formations similar to the recirculation and ground vortex flow regimes observed in experiments. The predictions of hover power reductions due to ground effect compared well to a recent experimental data and the results showed 22% power reduction for a hover flight z/R=0.55 above ground level. Fully coupled simulations performed for a helicopter hovering over and approaching to a ship flight deck and results compared with the standalone GENHEL-PSU simulations without ship airwake and one-way coupled simulations. The fully-coupled simulations showed higher pilot workload compared to the other two cases. In order to increase the execution speeds of the CFD calculations, several improvements were made on the CFD solver. First, the initial coupling approach File I/O was replaced with a more efficient method called Multiple Program Multiple Data MPI framework, where the two executables communicate with each other by MPI calls. Next, the unstructured solver (CRUNCH CFD), which is 2nd-order accurate in space, was replaced with the faster running structured solver (CRAFT CFD) that is 5th-order accurate in space. Other improvements including a more efficient k-d tree search algorithm and the bounding of the source term search space within a small region of the grid surrounding the rotor were made on the CFD solver. The final improvement was to parallelize the search task with the CFD solver tasks within the solver. To quantify the speed-up of the improvements to the coupling interface described above, a study was performed to demonstrate the speedup achieved from each of the interface improvements. The improvements made on the CFD solver showed more than 40 times speedup from the baseline file I/O and unstructured solver CRUNCH CFD. Using a structured CFD solver with 5th-order spacial accuracy provided the largest reductions in execution times. Disregarding the solver numeric, the total speedup of all of the interface improvements including the MPMD rotor point exchange, k-d tree search algorithm, bounded search space, and paralleled search task, was approximately 231%, more than a factor of 2. All these improvements provided the necessary speedup for approach real-time CFD. (Abstract shortened by ProQuest.).

Atmosphere-Wave-Ocean Coupling from Regional to Global Earth System Models for High-Impact Extreme Weather Prediction

NASA Astrophysics Data System (ADS)

Chen, S. S.; Curcic, M.

2017-12-01

The need for acurrate and integrated impact forecasts of extreme wind, rain, waves, and storm surge is growing as coastal population and built environment expand worldwide. A key limiting factor in forecasting impacts of extreme weather events associated with tropical cycle and winter storms is fully coupled atmosphere-wave-ocean model interface with explicit momentum and energy exchange. It is not only critical for accurate prediction of storm intensity, but also provides coherent wind, rian, ocean waves and currents forecasts for forcing for storm surge. The Unified Wave INterface (UWIN) has been developed for coupling of the atmosphere-wave-ocean models. UWIN couples the atmosphere, wave, and ocean models using the Earth System Modeling Framework (ESMF). It is a physically based and computationally efficient coupling sytem that is flexible to use in a multi-model system and portable for transition to the next generation global Earth system prediction mdoels. This standardized coupling framework allows researchers to develop and test air-sea coupling parameterizations and coupled data assimilation, and to better facilitate research-to-operation activities. It has been used and extensively tested and verified in regional coupled model forecasts of tropical cycles and winter storms (Chen and Curcic 2016, Curcic et al. 2016, and Judt et al. 2016). We will present 1) an overview of UWIN and its applications in fully coupled atmosphere-wave-ocean model predictions of hurricanes and coastal winter storms, and 2) implenmentation of UWIN in the NASA GMAO GEOS-5.

Determination of Total Biotin by Liquid Chromatography Coupled with Immunoaffinity Column Cleanup Extraction: Multilaboratory Testing, Final Action 2016.02.

PubMed

Joseph, George; Devi, Ranjani; Marley, Elaine C; Leeman, David

2018-05-01

Single- and multilaboratory testing data have provided systematic scientific evidence that a simple, selective, accurate, and precise method can be used as a potential candidate reference method for dispute resolution in determining total biotin in all forms of infant, adult, and/or pediatric formula. Using LC coupled with immunoaffinity column cleanup extraction, the method fully meets the intended purpose and applicability statement in AOAC Standard Method Performance Requirement 2014.005. The method was applied to a cross-section of infant formula and adult nutritional matrixes, and acceptable precision and accuracy were established. The analytical platform is inexpensive, and the method can be used in almost any laboratory worldwide with basic facilities. The immunoaffinity column cleanup extraction is the key step to successful analysis.

A coupled/uncoupled deformation and fatigue damage algorithm utilizing the finite element method

NASA Technical Reports Server (NTRS)

Wilt, Thomas E.; Arnold, Steven M.

1994-01-01

A fatigue damage computational algorithm utilizing a multiaxial, isothermal, continuum based fatigue damage model for unidirectional metal matrix composites has been implemented into the commercial finite element code MARC using MARC user subroutines. Damage is introduced into the finite element solution through the concept of effective stress which fully couples the fatigue damage calculations with the finite element deformation solution. An axisymmetric stress analysis was performed on a circumferentially reinforced ring, wherein both the matrix cladding and the composite core were assumed to behave elastic-perfectly plastic. The composite core behavior was represented using Hill's anisotropic continuum based plasticity model, and similarly, the matrix cladding was represented by an isotropic plasticity model. Results are presented in the form of S-N curves and damage distribution plots.

Analysis of energy relaxation kinetics for control of the electron energy distributions in capacitively coupled RF discharges

NASA Astrophysics Data System (ADS)

Lee, Jung Yeol; Verboncoeur, John P.; Lee, Hae June

2018-04-01

The transition of electron energy probability functions (EEPFs) through the change of heating mode is an important issue in plasma science. A well-known example is that the increase of gas pressure, which was analyzed in terms of the ratio of the energy relaxation mean free path to the electrode gap distance, changes the EEPF from bi-Maxwellian to Maxwellian or Druyvesteyn. In this study, a new aspect of the temporal decay of kinetic energy during the energy relaxation time is theoretically analyzed and compared with a particle-in-cell Monte Carlo collision simulation of capacitively coupled plasmas. A fully kinetic description of electron transport and collisions shows drastic changes of EEPFs with the variation of the driving frequency due to the heating mode transition.

An anisotropic thermomechanical damage model for concrete at transient elevated temperatures.

PubMed

Baker, Graham; de Borst, René

2005-11-15

The behaviour of concrete at elevated temperatures is important for an assessment of integrity (strength and durability) of structures exposed to a high-temperature environment, in applications such as fire exposure, smelting plants and nuclear installations. In modelling terms, a coupled thermomechanical analysis represents a generalization of the computational mechanics of fracture and damage. Here, we develop a fully coupled anisotropic thermomechanical damage model for concrete under high stress and transient temperature, with emphasis on the adherence of the model to the laws of thermodynamics. Specific analytical results are given, deduced from thermodynamics, of a novel interpretation on specific heat, evolution of entropy and the identification of the complete anisotropic, thermomechanical damage surface. The model is also shown to be stable in a computational sense, and to satisfy the laws of thermodynamics.

Determination of size and sign of hetero-nuclear coupling constants from 2D 19F-13C correlation spectra.

PubMed

Ampt, Kirsten A M; Aspers, Ruud L E G; Dvortsak, Peter; van der Werf, Ramon M; Wijmenga, Sybren S; Jaeger, Martin

2012-02-01

Fluorinated organic compounds have become increasingly important within the polymer and the pharmaceutical industry as well as for clinical applications. For the structural elucidation of such compounds, NMR experiments with fluorine detection are of great value due to the favorable NMR properties of the fluorine nucleus. For the investigation of three fluorinated compounds, triple resonance 2D HSQC and HMBC experiments were adopted to fluorine detection with carbon and/or proton decoupling to yield F-C, F-C{H}, F-C{C(acq)} and F-C{H,C(acq)} variants. Analysis of E.COSY type cross-peak patterns in the F-C correlation spectra led, apart from the chemical shift assignments, to determination of size and signs of the J(CH), J(CF), and J(HF) coupling constants. In addition, the fully coupled F-C HMQC spectrum of steroid 1 was interpreted in terms of E.COSY type patterns. This example shows how coupling constants due to different nuclei can be determined together with their relative signs from a single spectrum. The analysis of cross-peak patterns, as presented here, not only provides relatively straightforward routes to the determination of size and sign of hetero-nuclear J-couplings in fluorinated compounds, it also provides new and easy ways for the determination of residual dipolar couplings and thus for structure elucidation. The examples and results presented in this study may contribute to a better interpretation and understanding of various F-C correlation experiments and thereby stimulate their utilization. Copyright © 2011 Elsevier Inc. All rights reserved.

Estimating Convection Parameters in the GFDL CM2.1 Model Using Ensemble Data Assimilation

NASA Astrophysics Data System (ADS)

Li, Shan; Zhang, Shaoqing; Liu, Zhengyu; Lu, Lv; Zhu, Jiang; Zhang, Xuefeng; Wu, Xinrong; Zhao, Ming; Vecchi, Gabriel A.; Zhang, Rong-Hua; Lin, Xiaopei

2018-04-01

Parametric uncertainty in convection parameterization is one major source of model errors that cause model climate drift. Convection parameter tuning has been widely studied in atmospheric models to help mitigate the problem. However, in a fully coupled general circulation model (CGCM), convection parameters which impact the ocean as well as the climate simulation may have different optimal values. This study explores the possibility of estimating convection parameters with an ensemble coupled data assimilation method in a CGCM. Impacts of the convection parameter estimation on climate analysis and forecast are analyzed. In a twin experiment framework, five convection parameters in the GFDL coupled model CM2.1 are estimated individually and simultaneously under both perfect and imperfect model regimes. Results show that the ensemble data assimilation method can help reduce the bias in convection parameters. With estimated convection parameters, the analyses and forecasts for both the atmosphere and the ocean are generally improved. It is also found that information in low latitudes is relatively more important for estimating convection parameters. This study further suggests that when important parameters in appropriate physical parameterizations are identified, incorporating their estimation into traditional ensemble data assimilation procedure could improve the final analysis and climate prediction.

Electrothermal Equivalent Three-Dimensional Finite-Element Model of a Single Neuron.

PubMed

Cinelli, Ilaria; Destrade, Michel; Duffy, Maeve; McHugh, Peter

2018-06-01

We propose a novel approach for modelling the interdependence of electrical and mechanical phenomena in nervous cells, by using electrothermal equivalences in finite element (FE) analysis so that existing thermomechanical tools can be applied. First, the equivalence between electrical and thermal properties of the nerve materials is established, and results of a pure heat conduction analysis performed in Abaqus CAE Software 6.13-3 are validated with analytical solutions for a range of steady and transient conditions. This validation includes the definition of equivalent active membrane properties that enable prediction of the action potential. Then, as a step toward fully coupled models, electromechanical coupling is implemented through the definition of equivalent piezoelectric properties of the nerve membrane using the thermal expansion coefficient, enabling prediction of the mechanical response of the nerve to the action potential. Results of the coupled electromechanical model are validated with previously published experimental results of deformation for squid giant axon, crab nerve fibre, and garfish olfactory nerve fibre. A simplified coupled electromechanical modelling approach is established through an electrothermal equivalent FE model of a nervous cell for biomedical applications. One of the key findings is the mechanical characterization of the neural activity in a coupled electromechanical domain, which provides insights into the electromechanical behaviour of nervous cells, such as thinning of the membrane. This is a first step toward modelling three-dimensional electromechanical alteration induced by trauma at nerve bundle, tissue, and organ levels.

“ How Reliable is the Couple of WRF & VIC Models”

EPA Science Inventory

The ability of the fully coupling of Weather Research & Forecasting Model (WRF) and Variable Infiltration Capacity (VIC) model to produce hydrological and climate variables was evaluated. First, the VIC model was run by using observed meteorological data and calibrated in the Upp...

An efficient model for coupling structural vibrations with acoustic radiation

NASA Technical Reports Server (NTRS)

Frendi, Abdelkader; Maestrello, Lucio; Ting, LU

1993-01-01

The scattering of an incident wave by a flexible panel is studied. The panel vibration is governed by the nonlinear plate equations while the loading on the panel, which is the pressure difference across the panel, depends on the reflected and transmitted waves. Two models are used to calculate this structural-acoustic interaction problem. One solves the three dimensional nonlinear Euler equations for the flow-field coupled with the plate equations (the fully coupled model). The second uses the linear wave equation for the acoustic field and expresses the load as a double integral involving the panel oscillation (the decoupled model). The panel oscillation governed by a system of integro-differential equations is solved numerically and the acoustic field is then defined by an explicit formula. Numerical results are obtained using the two models for linear and nonlinear panel vibrations. The predictions given by these two models are in good agreement but the computational time needed for the 'fully coupled model' is 60 times longer than that for 'the decoupled model'.

On Verifying Currents and Other Features in the Hawaiian Islands Region Using Fully Coupled Ocean/Atmosphere Mesoscale Prediction System Compared to Global Ocean Model and Ocean Observations

NASA Astrophysics Data System (ADS)

Jessen, P. G.; Chen, S.

2014-12-01

This poster introduces and evaluates features concerning the Hawaii, USA region using the U.S. Navy's fully Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS-OS™) coupled to the Navy Coastal Ocean Model (NCOM). It also outlines some challenges in verifying ocean currents in the open ocean. The system is evaluated using in situ ocean data and initial forcing fields from the operational global Hybrid Coordinate Ocean Model (HYCOM). Verification shows difficulties in modelling downstream currents off the Hawaiian islands (Hawaii's wake). Comparing HYCOM to NCOM current fields show some displacement of small features such as eddies. Generally, there is fair agreement from HYCOM to NCOM in salinity and temperature fields. There is good agreement in SSH fields.

Protein gradients in single cells induced by their coupling to "morphogen"-like diffusion

NASA Astrophysics Data System (ADS)

Nandi, Saroj Kumar; Safran, Sam A.

2018-05-01

One of the many ways cells transmit information within their volume is through steady spatial gradients of different proteins. However, the mechanism through which proteins without any sources or sinks form such single-cell gradients is not yet fully understood. One of the models for such gradient formation, based on differential diffusion, is limited to proteins with large ratios of their diffusion constants or to specific protein-large molecule interactions. We introduce a novel mechanism for gradient formation via the coupling of the proteins within a single cell with a molecule, that we call a "pronogen," whose action is similar to that of morphogens in multi-cell assemblies; the pronogen is produced with a fixed flux at one side of the cell. This coupling results in an effectively non-linear diffusion degradation model for the pronogen dynamics within the cell, which leads to a steady-state gradient of the protein concentration. We use stability analysis to show that these gradients are linearly stable with respect to perturbations.

Fast Response of the Tropics to an Abrupt Loss of Arctic Sea Ice via Ocean Dynamics

NASA Astrophysics Data System (ADS)

Wang, Kun; Deser, Clara; Sun, Lantao; Tomas, Robert A.

2018-05-01

The role of ocean dynamics in the transient adjustment of the coupled climate system to an abrupt loss of Arctic sea ice is investigated using experiments with Community Climate System Model version 4 in two configurations: a thermodynamic slab mixed layer ocean and a full-depth ocean that includes both dynamics and thermodynamics. Ocean dynamics produce a distinct sea surface temperature warming maximum in the eastern equatorial Pacific, accompanied by an equatorward intensification of the Intertropical Convergence Zone and Hadley Circulation. These tropical responses are established within 25 years of ice loss and contrast markedly with the quasi-steady antisymmetric coupled response in the slab-ocean configuration. A heat budget analysis reveals the importance of anomalous vertical advection tied to a monotonic temperature increase below 200 m for the equatorial sea surface temperature warming maximum in the fully coupled model. Ocean dynamics also rapidly modify the midlatitude atmospheric response to sea ice loss.

Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions.

PubMed

Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter

2018-02-20

The electron-rich silylene Co(i) chloride 5 was obtained through the reaction of CoCl(PMe 3 ) 3 with chlorosilylene. Complex 5 reacted with 1,3-siladiazole HSiMe(NCH 2 PPh 2 ) 2 C 6 H 4 to give the silylene Co(iii) hydride 6 through chelate-assisted Si-H activation. To the best of our knowledge, complex 6 is the first example of Co(iii) hydride supported by N-heterocyclic silylene. Complexes 5 and 6 were fully characterized by spectroscopic methods and X-ray diffraction analysis. Complex 6 was used as an efficient precatalyst for Kumada cross-coupling reactions. Compared with the related complex 3 supported by only trimethylphosphine, complex 6 as a catalyst supported by both chlorosilylene and trimethylphosphine exhibits a more efficient performance for the Kumada cross-coupling reactions. A novel catalytic radical mechanism was suggested and experimentally verified. As an intermediate silylene cobalt(ii) chloride 6d was isolated and structurally characterized.

Theoretical analysis of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator

NASA Astrophysics Data System (ADS)

Shin, Y. M.; Ryskin, N. M.; Won, J. H.; Han, S. T.; Park, G. S.

2006-03-01

The basic theory of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator consisting of two two-cavity klystron amplifiers reversely coupled through input/output slots is theoretically investigated. Application of Kirchhoff's laws to the coupled equivalent RLC circuit model of the device provides four nonlinear coupled equations, which are the first-order time-delayed differential equations. Analytical solutions obtained through linearization of the equations provide oscillation frequencies and thresholds of four fundamental eigenstates, symmetric/antisymmetric 0/π modes. Time-dependent output signals are numerically analyzed with variation of the beam current, and a self-modulation mechanism and transition to chaos scenario are examined. The oscillator shows a much stronger multistability compared to a delayed feedback klystron oscillator owing to the competitions among more diverse eigenmodes. A fully developed chaos region also appears at a relatively lower beam current, ˜3.5Ist, compared to typical vacuum tube oscillators (10-100Ist), where Ist is a start-oscillation current.

On Flexible Tubes Conveying Fluid: Geometric Nonlinear Theory, Stability and Dynamics

NASA Astrophysics Data System (ADS)

Gay-Balmaz, François; Putkaradze, Vakhtang

2015-08-01

We derive a fully three-dimensional, geometrically exact theory for flexible tubes conveying fluid. The theory also incorporates the change of the cross section available to the fluid motion during the dynamics. Our approach is based on the symmetry-reduced, exact geometric description for elastic rods, coupled with the fluid transport and subject to the volume conservation constraint for the fluid. We first derive the equations of motion directly, by using an Euler-Poincaré variational principle. We then justify this derivation with a more general theory elucidating the interesting mathematical concepts appearing in this problem, such as partial left (elastic) and right (fluid) invariance of the system, with the added holonomic constraint (volume). We analyze the fully nonlinear behavior of the model when the axis of the tube remains straight. We then proceed to the linear stability analysis and show that our theory introduces important corrections to previously derived results, both in the consistency at all wavelength and in the effects arising from the dynamical change of the cross section. Finally, we derive and analyze several analytical, fully nonlinear solutions of traveling wave type in two dimensions.

Characterising human atherosclerotic carotid plaque tissue composition and morphology using combined spectroscopic and imaging modalities.

PubMed

Barrett, Hilary E; Mulvihill, John J; Cunnane, Eoghan M; Walsh, Michael T

2015-01-01

Calcification is a marked pathological component in carotid artery plaque. Studies have suggested that calcification may induce regions of high stress concentrations therefore increasing the potential for rupture. However, the mechanical behaviour of the plaque under the influence of calcification is not fully understood. A method of accurately characterising the calcification coupled with the associated mechanical plaque properties is needed to better understand the impact of calcification on the mechanical behaviour of the plaque during minimally invasive treatments. This study proposes a comparison of biochemical and structural characterisation methods of the calcification in carotid plaque specimens to identify plaque mechanical behaviour. Biochemical analysis, by Fourier Transform Infrared (FTIR) spectroscopy, was used to identify the key components, including calcification, in each plaque sample. However, FTIR has a finite penetration depth which may limit the accuracy of the calcification measurement. Therefore, this FTIR analysis was coupled with the identification of the calcification inclusions located internally in the plaque specimen using micro x-ray computed tomography (μX-CT) which measures the calcification volume fraction (CVF) to total tissue content. The tissue characterisation processes were then applied to the mechanical material plaque properties acquired from experimental circumferential loading of human carotid plaque specimen for comparison of the methods. FTIR characterised the degree of plaque progression by identifying the functional groups associated with lipid, collagen and calcification in each specimen. This identified a negative relationship between stiffness and 'lipid to collagen' and 'calcification to collagen' ratios. However, μX-CT results suggest that CVF measurements relate to overall mechanical stiffness, while peak circumferential strength values may be dependent on specific calcification geometries. This study demonstrates the need to fully characterise the calcification structure of the plaque tissue and that a combination of FTIR and μX-CT provides the necessary information to fully understand the mechanical behaviour of the plaque tissue.

Continental Asymmetry in Climate-Induced Tropical Drought: Driving Mechanisms and Ecosystem Response

NASA Astrophysics Data System (ADS)

Randerson, J. T.; Swann, A. L. S.; Koven, C. D.; Hoffman, F. M.; Chen, Y.

2015-12-01

Current theory does not adequately explain diverging patterns of future drought stress predicted by Earth system models (ESMs) across tropical South America, Africa, and equatorial Asia. By 2100 for the Representative Concentration Pathway 8.5 (RCP8.5) many models predict significant decreases in precipitation across northeastern South America and Central America. In contrast, most models predict increasing levels of precipitation across tropical Africa and equatorial Asia. Using the Community Earth System Model v1.0 with RCP8.5 simulations to 2300, we found that this longitudinal precipitation asymmetry intensified over time and as a consequence, terrestrial carbon losses from the neotropics were considerably higher than those in Africa and Asia. Carbon losses in some areas of the Amazon in a fully coupled simulation exceeded 15 kg C per m2 by 2300, relative to estimates from a biogeochemically-forced simulation in which atmospheric carbon dioxide and other greenhouse gases did not influence the atmospheric radiation budget. Variations in the amount of neotropical drying varied considerably among CMIP5 ESMs, and we used several types of analysis to identify driving mechanisms and to reduce uncertainties associated with these projections. CMIP5 models in general underestimated North Atlantic sea surface temperatures and the strength of the Atlantic meridional overturning circulation (AMOC). Models that more accurately simulated North Atlantic SSTs during the historical era had smaller mean precipitation biases and predicted greater neotropical forest drying than other models. This suggests that future drought stress in northern South America and Central America may be larger than estimates derived from the multi-model mean. Analysis of idealized radiatively coupled, biogeochemically coupled and fully coupled CMIP5 model simulations indicated that the direct effects of atmospheric carbon dioxide on plant physiology also was an important factor driving asymmetric precipitation change across the tropics, and had a similar pattern as changes induced solely from greenhouse gas effects on atmospheric radiation. We conclude by discussing the implications of the continental drought asymmetry for the vulnerability of tropical forests to fire, agriculture, and tree mortality.

Fully differential Higgs boson pair production in association with a Z boson at next-to-next-to-leading order in QCD

NASA Astrophysics Data System (ADS)

Li, Hai Tao; Li, Chong Sheng; Wang, Jian

2018-04-01

We present a fully differential next-to-next-to-leading order QCD calculation of the Higgs pair production in association with a Z boson at hadron colliders, which is important for probing the trilinear Higgs self-coupling. The next-to-next-to-leading-order corrections enhance the next-to-leading order total cross sections by a factor of 1.2-1.5, depending on the collider energy, and change the shape of next-to-leading order kinematic distributions. We discuss how to determine the trilinear Higgs self-coupling using our results.

Fully differential Higgs boson pair production in association with a Z boson at next-to-next-to-leading order in QCD

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

Li, Hai Tao; Li, Chong Sheng; Wang, Jian

Here, we present a fully differential next-to-next-to-leading order QCD calculation of the Higgs pair production in association with a Z boson at hadron colliders, which is important for probing the trilinear Higgs self-coupling. The next-to-next-to-leading-order corrections enhance the next-to-leading order total cross sections by a factor of 1.2–1.5, depending on the collider energy, and change the shape of next-to-leading order kinematic distributions. We discuss how to determine the trilinear Higgs self-coupling using our results.

Fully differential Higgs boson pair production in association with a Z boson at next-to-next-to-leading order in QCD

DOE PAGES

Li, Hai Tao; Li, Chong Sheng; Wang, Jian

2018-04-23

Here, we present a fully differential next-to-next-to-leading order QCD calculation of the Higgs pair production in association with a Z boson at hadron colliders, which is important for probing the trilinear Higgs self-coupling. The next-to-next-to-leading-order corrections enhance the next-to-leading order total cross sections by a factor of 1.2–1.5, depending on the collider energy, and change the shape of next-to-leading order kinematic distributions. We discuss how to determine the trilinear Higgs self-coupling using our results.

A fully coupled 3D transport model in SPH for multi-species reaction-diffusion systems

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

Adami, Stefan; Hu, X. Y.; Adams, N. A.

2011-08-23

Abstract—In this paper we present a fully generalized transport model for multiple species in complex two and threedimensional geometries. Based on previous work [1] we have extended our interfacial reaction-diffusion model to handle arbitrary numbers of species allowing for coupled reaction models. Each species is tracked independently and we consider different physics of a species with respect to the bulk phases in contact. We use our SPH model to simulate the reaction-diffusion problem on a pore-scale level of a solid oxide fuel cell (SOFC) with special emphasize on the effect of surface diffusion.

Exploring the Inner Edge of the Habitable Zone with Fully Coupled Oceans

NASA Astrophysics Data System (ADS)

Way, M.; Del Genio, A. D.; Kiang, N. Y.; Kelley, M.; Aleinov, I. D.; Clune, T.; Puma, M. J.

2015-12-01

Rotation in planetary atmospheres plays an important role inregulating atmospheric and oceanic heat flow, cloud formation and precipitation.Using the Goddard Institute for Space Studies (GISS) three dimensional GeneralCirculation Model (3D-GCM) we demonstrate how varying rotation rate andincreasing the incident solar flux on a planet are related to each other and mayallow the inner edge of the habitable zone to be much closer than many previoushabitable zone studies have indicated. This is shown in particular for fullycoupled ocean runs over a large range of insolation and rotation rates.Results with a 100m mixed layer depth and our fully coupled ocean runs arecompared with those of Yang et al. 2014, which demonstrates consistencyacross models. However, there are clear differences for rotations rates of 1-16xpresent earth day lengths between the mixed layer and fully coupled ocean models,which points to the necessity of using fully coupled oceans whenever possible.The latter was recently demonstrated quite clearly by Hu & Yang 2014 in theiraquaplanet study with a fully coupled ocean when compared with similar mixedlayer ocean studies and by Cullum et al. 2014. Atmospheric constituent amounts were also varied alongside adjustments to cloudparameterizations. While the latter have an effect on what a planet's global meantemperature is once the oceans reach equilibrium they donot qualitatively change the overall relationship between the globally averagedsurface temperature and incident solar flux for rotation rates ranging from 1to 256 times the present Earth day length. At the same time this studydemonstrates that given the lack of knowledge about the atmospheric constituentsand clouds on exoplanets there is still a large uncertainty as to where a planetwill sit in a given star's habitable zone. We also explore options for understanding the possibility for regional habitabilityvia an aridity index and a separate moisture index. The former is related to the competitionbetween precipitation and the potential evapotranpiration of the soil (via a modifiedPenman-Monteith equation) while the latter is a measure of the amount of liquid water foundon land. Cullum, Stevens & Joshi 2014, Astrobiology, vol 14, No. 8, pg 645 Hu & Yang 2014, PNAS, 111, 629 Yang, Cowan & Abbot 2013, ApJL, 771, 45 Yang et al. 2014, ApJL, 787, 2

Dynamics of multi-frequency oscillator ensembles with resonant coupling

NASA Astrophysics Data System (ADS)

Lück, S.; Pikovsky, A.

2011-07-01

We study dynamics of populations of resonantly coupled oscillators having different frequencies. Starting from the coupled van der Pol equations we derive the Kuramoto-type phase model for the situation, where the natural frequencies of two interacting subpopulations are in relation 2:1. Depending on the parameter of coupling, ensembles can demonstrate fully synchronous clusters, partial synchrony (only one subpopulation synchronizes), or asynchrony in both subpopulations. Theoretical description of the dynamics based on the Watanabe-Strogatz approach is developed.

The role of 3-D interactive visualization in blind surveys of H I in galaxies

NASA Astrophysics Data System (ADS)

Punzo, D.; van der Hulst, J. M.; Roerdink, J. B. T. M.; Oosterloo, T. A.; Ramatsoku, M.; Verheijen, M. A. W.

2015-09-01

Upcoming H I surveys will deliver large datasets, and automated processing using the full 3-D information (two positional dimensions and one spectral dimension) to find and characterize H I objects is imperative. In this context, visualization is an essential tool for enabling qualitative and quantitative human control on an automated source finding and analysis pipeline. We discuss how Visual Analytics, the combination of automated data processing and human reasoning, creativity and intuition, supported by interactive visualization, enables flexible and fast interaction with the 3-D data, helping the astronomer to deal with the analysis of complex sources. 3-D visualization, coupled to modeling, provides additional capabilities helping the discovery and analysis of subtle structures in the 3-D domain. The requirements for a fully interactive visualization tool are: coupled 1-D/2-D/3-D visualization, quantitative and comparative capabilities, combined with supervised semi-automated analysis. Moreover, the source code must have the following characteristics for enabling collaborative work: open, modular, well documented, and well maintained. We review four state of-the-art, 3-D visualization packages assessing their capabilities and feasibility for use in the case of 3-D astronomical data.

Building sector feedbacks lead to increased energy demands

NASA Astrophysics Data System (ADS)

Hartin, C.; Link, R. P.; Patel, P.; Horowitz, R.; Clarke, L.; Mundra, A.

2017-12-01

Typically in human-earth system modeling studies, feedbacks between the earth and human systems are analyzed by passing information between independent models, leading to data errors and poor reproducibility. In this study we explore the two-way feedbacks between the human and earth systems in the building sector of GCAM, an integrated assessment model and, its fully-integrated climate component, Hector. While there is a general agreement in the literature that increasing temperatures will increase cooling energy demands and decrease heating energy demands, there has been no fully-coupled analysis of this dynamic that would, for example, account for the feedbacks on hydrofluorocarbons from increased cooling demands. Using a statistical relationship between global mean temperature change and heating and cooling degree days, we find that the feedbacks on hydrofluorocarbons lead to an increase in global mean temperature of between 0.16 to 0.27 °C in 2100. Demands for electricity increase by about 10% in Africa, while demands decrease in Canada by about 3.0% when taking into account these feedbacks. While the feedbacks between building energy demand and global mean temperature are modest by themselves, this study prompts future research on coupled human-earth system feedbacks, in particular in regards to land, water, and other energy infrastructure.

Southern Ocean Open Ocean Polynyas in Observations and from a Low- and a High-Resolution Fully-Coupled Earth System Model Simulation

NASA Astrophysics Data System (ADS)

Veneziani, C.; Kurtakoti, P. K.; Weijer, W.; Stoessel, A.

2016-12-01

In contrast to their better known coastal counterpart, open ocean polynyas (OOPs) form through complex driving mechanisms, involving pre-conditioning of the water column, external forcing and internal ocean dynamics, and are therefore much more elusive and less predictable than coastal polynyas. Yet, their impact on bottom water formation and the Meridional Overturning Circulation could prove substantial. Here, we characterize the formation of Southern Ocean OOPs by analyzing the full satellite NASA microwave imager and radiometer (SSMI/SMMR) data record from 1972 to present day. We repeat the same analysis within the low-resolution (LR) and high-resolution (HR) fully-coupled Earth System Model simulations that are part of the Accelerated Climate Model for Energy (ACME) v0 baseline experiments. The focus is on two OOPs that are more consistently seen in observations: the Maud Rise and the Weddell Sea polynyas. Results show that the LR simulation is unable to reproduce any OOP over the 195 years of its duration, while both Maud Rise and Weddell Sea polynyas are seen in the HR simulation, with extents similar to observations'. We explore possible mechanisms that would explain the asymmetric behavior, including topographic processes, eddy shedding events, and different water column stratification between the two simulations.

Regional-scale, fully coupled modelling of stream aquifer interaction in a tropical catchment

NASA Astrophysics Data System (ADS)

Werner, Adrian D.; Gallagher, Mark R.; Weeks, Scott W.

2006-09-01

SummaryThe planning and management of water resources in the Pioneer Valley, north-eastern Australia requires a tool for assessing the impact of groundwater and stream abstractions on water supply reliabilities and environmental flows in Sandy Creek (the main surface water system studied). Consequently, a fully coupled stream-aquifer model has been constructed using the code MODHMS, calibrated to near-stream observations of watertable behaviour and multiple components of gauged stream flow. This model has been tested using other methods of estimation, including stream depletion analysis and radon isotope tracer sampling. The coarseness of spatial discretisation, which is required for practical reasons of computational efficiency, limits the model's capacity to simulate small-scale processes (e.g., near-stream groundwater pumping, bank storage effects), and alternative approaches are required to complement the model's range of applicability. Model predictions of groundwater influx to Sandy Creek are compared with baseflow estimates from three different hydrograph separation techniques, which were found to be unable to reflect the dynamics of Sandy Creek stream-aquifer interactions. The model was also used to infer changes in the water balance of the system caused by historical land use change. This led to constraints on the recharge distribution which can be implemented to improve model calibration performance.

Cumulative Delivery Rate after Providing Full Reimbursement In Vitro Fertilization Programme: A 6-Years Survey

PubMed Central

Vrtacnik, Urban; Vrtacnik Bokal, Eda

2014-01-01

Since 1983, Slovenia has been offering well-established, successful, and fully reimbursed IVF programme to infertile couples. On the grounds of data gathered at the Slovenian IVF units we aimed to determine whether the fully accessible IVF treatment system can provide notable success considering cumulative delivery rate (cDR). Longitudinal analysis of getting cDR was performed in 810 IVF cycles of 395 couples who for the first time attended the IVF programme in year 2006 and were followed until year 2012. We calculated the actual and the optimistic cDR. In women aged <38 years the actual cDR was 54% and optimistic DR was 83%, respectively. In women aged ≥38 years the actual cDR was 24 % and optimistic cDR was 27%. These results enable us to report that prospects of the treatment for the women aged <38 years, if they undergo all 6 available IVF cycles, are very positive and quite comparable to the chances of spontaneous conception. Even in older patients it is beneficial to repeat the IVF procedures. Therefore we consider the existing infertility treatment system in Slovenia as an example of good medical practice with high level of beneficence offered to the patients. PMID:24734248

Conservative tightly-coupled simulations of stochastic multiscale systems

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

Taverniers, Søren; Pigarov, Alexander Y.; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

2016-05-15

Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employingmore » either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged (“implicit”) coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration (“explicit”) Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.« less

Simulation Propulsion System and Trajectory Optimization

NASA Technical Reports Server (NTRS)

Hendricks, Eric S.; Falck, Robert D.; Gray, Justin S.

2017-01-01

A number of new aircraft concepts have recently been proposed which tightly couple the propulsion system design and operation with the overall vehicle design and performance characteristics. These concepts include propulsion technology such as boundary layer ingestion, hybrid electric propulsion systems, distributed propulsion systems and variable cycle engines. Initial studies examining these concepts have typically used a traditional decoupled approach to aircraft design where the aerodynamics and propulsion designs are done a-priori and tabular data is used to provide inexpensive look ups to the trajectory ana-ysis. However the cost of generating the tabular data begins to grow exponentially when newer aircraft concepts require consideration of additional operational parameters such as multiple throttle settings, angle-of-attack effects on the propulsion system, or propulsion throttle setting effects on aerodynamics. This paper proposes a new modeling approach that eliminated the need to generate tabular data, instead allowing an expensive propulsion or aerodynamic analysis to be directly integrated into the trajectory analysis model and the entire design problem optimized in a fully coupled manner. The new method is demonstrated by implementing a canonical optimal control problem, the F-4 minimum time-to-climb trajectory optimization using three relatively new analysis tools: Open M-DAO, PyCycle and Pointer. Pycycle and Pointer both provide analytic derivatives and Open MDAO enables the two tools to be combined into a coupled model that can be run in an efficient parallel manner that helps to cost the increased cost of the more expensive propulsion analysis. Results generated with this model serve as a validation of the tightly coupled design method and guide future studies to examine aircraft concepts with more complex operational dependencies for the aerodynamic and propulsion models.

Visible-regime polarimetric imager: a fully polarimetric, real-time imaging system.

PubMed

Barter, James D; Thompson, Harold R; Richardson, Christine L

2003-03-20

A fully polarimetric optical camera system has been constructed to obtain polarimetric information simultaneously from four synchronized charge-coupled device imagers at video frame rates of 60 Hz and a resolution of 640 x 480 pixels. The imagers view the same scene along the same optical axis by means of a four-way beam-splitting prism similar to ones used for multiple-imager, common-aperture color TV cameras. Appropriate polarizing filters in front of each imager provide the polarimetric information. Mueller matrix analysis of the polarimetric response of the prism, analyzing filters, and imagers is applied to the detected intensities in each imager as a function of the applied state of polarization over a wide range of linear and circular polarization combinations to obtain an average polarimetric calibration consistent to approximately 2%. Higher accuracies can be obtained by improvement of the polarimetric modeling of the splitting prism and by implementation of a pixel-by-pixel calibration.

The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion

NASA Astrophysics Data System (ADS)

Zaleski, Daniel P.; Duan, Chuanxi; Carvajal, Miguel; Kleiner, Isabelle; Prozument, Kirill

2017-12-01

The broadband pure rotational spectra of CD3CDO, 13CD3CDO, CD313CDO, and CD3CD18O have been recorded using a BrightSpec W-Band (75-110 GHz) chirped-pulse Fourier transform millimeter wave (CP-FTmmW) spectrometer. The sample was enriched with deuterium, whereas the 13C and 18O isotopologues were observed in natural abundance (with respect to the enriched fully deuterated parent containing 12C and 16O). The analysis of the spectra is described and the derived molecular constants are compared to those of known acetaldehyde isotopologues. Furthermore, we have demonstrated the ability to record rotational spectra in a steady-state "CW" supersonic expansion with a duty cycle of 80%. The advantages and limitations of the segmented chirp spectrometer coupled with a CW molecular source as well as design of the vacuum and pumping system are discussed.

SIERRA Multimechanics Module: Aria User Manual Version 4.44

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

Sierra Thermal /Fluid Team

2017-04-01

Aria is a Galerkin fnite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of eithermore » arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

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

Sierra Thermal/Fluid Team

Aria is a Galerkin fnite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of eithermore » arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

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

Sierra Thermal /Fluid Team

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re %3C 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrarymore » Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

NASA Technical Reports Server (NTRS)

Grossman, B.; Cinella, P.

1988-01-01

A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis

NASA Astrophysics Data System (ADS)

Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.

2018-05-01

A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.

A transient fully coupled climate-ice-sheet simulation of the last glacial inception

NASA Astrophysics Data System (ADS)

Lofverstrom, M.; Otto-Bliesner, B. L.; Lipscomb, W. H.; Fyke, J. G.; Marshall, S.; Sacks, B.; Brady, E. C.

2017-12-01

The last glacial inception occurred around 115 ka, following a relative minimum in the Northern Hemisphere summer insolation. It is believed that small and spatially separated ice caps initially formed in the high elevation regions of northern Canada, Scandinavia, and along the Siberian Arctic coast. These ice caps subsequently migrated down in the valleys where they coalesced and formed the initial seeds of the large coherent ice masses that covered the northern parts of the North American and Eurasian continents over most of the last glacial cycle. Sea level records show that the initial growth period lasted for about 10 kyrs, and the resulting ice sheets may have lowered the global sea level by as much as 30 to 50 meters. Here we examine the transient climate system evolution over the period between 118 and 110 ka, using the fully coupled Community Earth System Model, version 2 (CESM2). This model features a two-way coupled high-resolution (4x4 km) ice-sheet component (Community Ice Sheet model, version 2; CISM2) that simulates ice sheets as an interactive component of the climate system. We impose a transient forcing protocol where the greenhouse gas concentrations and the orbital parameters follow the nominal year in the simulation; the model topography is also dynamically evolving in order to reflect changes in ice elevation throughout the simulation. The analysis focuses on how the climate system evolves over this time interval, with a special focus on glacial inception in the high-latitude continents. Results will highlight how the evolving ice sheets compare to data and previous model based reconstructions.

Numerical Uncertainty Analysis for Computational Fluid Dynamics using Student T Distribution -- Application of CFD Uncertainty Analysis Compared to Exact Analytical Solution

NASA Technical Reports Server (NTRS)

Groves, Curtis E.; Ilie, marcel; Shallhorn, Paul A.

2014-01-01

Computational Fluid Dynamics (CFD) is the standard numerical tool used by Fluid Dynamists to estimate solutions to many problems in academia, government, and industry. CFD is known to have errors and uncertainties and there is no universally adopted method to estimate such quantities. This paper describes an approach to estimate CFD uncertainties strictly numerically using inputs and the Student-T distribution. The approach is compared to an exact analytical solution of fully developed, laminar flow between infinite, stationary plates. It is shown that treating all CFD input parameters as oscillatory uncertainty terms coupled with the Student-T distribution can encompass the exact solution.

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

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

Banerjee, Tanmoy, E-mail: tbanerjee@phys.buruniv.ac.in; Paul, Bishwajit; Sarkar, B. C.

2014-03-15

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strengthmore » the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.« less

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system.

PubMed

Banerjee, Tanmoy; Paul, Bishwajit; Sarkar, B C

2014-03-01

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

NASA Astrophysics Data System (ADS)

Banerjee, Tanmoy; Paul, Bishwajit; Sarkar, B. C.

2014-03-01

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

Long-range intercellular Ca2+ wave patterns

NASA Astrophysics Data System (ADS)

Tabi, C. B.; Maïna, I.; Mohamadou, A.; Ekobena, H. P. F.; Kofané, T. C.

2015-10-01

Modulational instability is utilized to investigate intercellular Ca2+ wave propagation in an array of diffusively coupled cells. Cells are supposed to be connected via paracrine signaling, where long-range effects, due to the presence of extracellular messengers, are included. The multiple-scale expansion is used to show that the whole dynamics of Ca2+ waves, from the endoplasmic reticulum to the cytosol, can be reduced to a single differential-difference nonlinear equation whose solutions are assumed to be plane waves. Their linear stability analysis is studied, with emphasis on the impact of long-range coupling, via the range parameter s. It is shown that s, as well as the number of interacting cells, importantly modifies the features of modulational instability, as small values of s imply a strong coupling, and increasing its value rather reduces the problem to a first-neighbor one. Our theoretical findings are numerically tested, as the generic equations are fully integrated, leading to the emergence of nonlinear patterns of Ca2+ waves. Strong long-range coupling is pictured by extended trains of breather-like structures whose frequency decreases with increasing s. We also show numerically that the number of interacting cells plays on the spatio-temporal formation of Ca2+ patterns, whilst the quasi-perfect intercellular communication depends on the paracrine coupling parameter.

THERMO-HYDRO-MECHANICAL MODELING OF WORKING FLUID INJECTION AND THERMAL ENERGY EXTRACTION IN EGS FRACTURES AND ROCK MATRIX

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

Robert Podgorney; Chuan Lu; Hai Huang

2012-01-01

Development of enhanced geothermal systems (EGS) will require creation of a reservoir of sufficient volume to enable commercial-scale heat transfer from the reservoir rocks to the working fluid. A key assumption associated with reservoir creation/stimulation is that sufficient rock volumes can be hydraulically fractured via both tensile and shear failure, and more importantly by reactivation of naturally existing fractures (by shearing), to create the reservoir. The advancement of EGS greatly depends on our understanding of the dynamics of the intimately coupled rock-fracture-fluid-heat system and our ability to reliably predict how reservoirs behave under stimulation and production. Reliable performance predictions ofmore » EGS reservoirs require accurate and robust modeling for strongly coupled thermal-hydrological-mechanical (THM) processes. Conventionally, these types of problems have been solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulators with a solid mechanics simulator via input files. An alternative approach is to solve the system of nonlinear partial differential equations that govern multiphase fluid flow, heat transport, and rock mechanics simultaneously, using a fully coupled, fully implicit solution procedure, in which all solution variables (pressure, enthalpy, and rock displacement fields) are solved simultaneously. This paper describes numerical simulations used to investigate the poro- and thermal- elastic effects of working fluid injection and thermal energy extraction on the properties of the fractures and rock matrix of a hypothetical EGS reservoir, using a novel simulation software FALCON (Podgorney et al., 2011), a finite element based simulator solving fully coupled multiphase fluid flow, heat transport, rock deformation, and fracturing using a global implicit approach. Investigations are also conducted on how these poro- and thermal-elastic effects are related to fracture permeability evolution.« less

Spatiotemporal Dynamics of a Network of Coupled Time-Delay Digital Tanlock Loops

NASA Astrophysics Data System (ADS)

Paul, Bishwajit; Banerjee, Tanmoy; Sarkar, B. C.

The time-delay digital tanlock loop (TDTLs) is an important class of phase-locked loop that is widely used in electronic communication systems. Although nonlinear dynamics of an isolated TDTL has been studied in the past but the collective behavior of TDTLs in a network is an important topic of research and deserves special attention as in practical communication systems separate entities are rarely isolated. In this paper, we carry out the detailed analysis and numerical simulations to explore the spatiotemporal dynamics of a network of a one-dimensional ring of coupled TDTLs with nearest neighbor coupling. The equation representing the network is derived and we carry out analytical calculations using the circulant matrix formalism to obtain the stability criteria. An extensive numerical simulation reveals that with the variation of gain parameter and coupling strength the network shows a variety of spatiotemporal dynamics such as frozen random pattern, pattern selection, spatiotemporal intermittency and fully developed spatiotemporal chaos. We map the distinct dynamical regions of the system in two-parameter space. Finally, we quantify the spatiotemporal dynamics by using quantitative measures like Lyapunov exponent and the average quadratic deviation of the full network.

An Open-Source Automated Peptide Synthesizer Based on Arduino and Python.

PubMed

Gali, Hariprasad

2017-10-01

The development of the first open-source automated peptide synthesizer, PepSy, using Arduino UNO and readily available components is reported. PepSy was primarily designed to synthesize small peptides in a relatively small scale (<100 µmol). Scripts to operate PepSy in a fully automatic or manual mode were written in Python. Fully automatic script includes functions to carry out resin swelling, resin washing, single coupling, double coupling, Fmoc deprotection, ivDde deprotection, on-resin oxidation, end capping, and amino acid/reagent line cleaning. Several small peptides and peptide conjugates were successfully synthesized on PepSy with reasonably good yields and purity depending on the complexity of the peptide.

Electrical and mechanical fully coupled theory and experimental verification of Rosen-type piezoelectric transformers.

PubMed

Hsu, Yu-Hsiang; Lee, Chih-Kung; Hsiao, Wen-Hsin

2005-10-01

A piezoelectric transformer is a power transfer device that converts its input and output voltage as well as current by effectively using electrical and mechanical coupling effects of piezoelectric materials. Equivalent-circuit models, which are traditionally used to analyze piezoelectric transformers, merge each mechanical resonance effect into a series of ordinary differential equations. Because of using ordinary differential equations, equivalent circuit models are insufficient to reflect the mechanical behavior of piezoelectric plates. Electromechanically, fully coupled governing equations of Rosen-type piezoelectric transformers, which are partial differential equations in nature, can be derived to address the deficiencies of the equivalent circuit models. It can be shown that the modal actuator concept can be adopted to optimize the electromechanical coupling effect of the driving section once the added spatial domain design parameters are taken into account, which are three-dimensional spatial dependencies of electromechanical properties. The maximum power transfer condition for a Rosen-type piezoelectric transformer is detailed. Experimental results, which lead us to a series of new design rules, also are presented to prove the validity and effectiveness of the theoretical predictions.

A fully implicit finite element method for bidomain models of cardiac electromechanics

PubMed Central

Dal, Hüsnü; Göktepe, Serdar; Kaliske, Michael; Kuhl, Ellen

2012-01-01

We propose a novel, monolithic, and unconditionally stable finite element algorithm for the bidomain-based approach to cardiac electromechanics. We introduce the transmembrane potential, the extracellular potential, and the displacement field as independent variables, and extend the common two-field bidomain formulation of electrophysiology to a three-field formulation of electromechanics. The intrinsic coupling arises from both excitation-induced contraction of cardiac cells and the deformation-induced generation of intra-cellular currents. The coupled reaction-diffusion equations of the electrical problem and the momentum balance of the mechanical problem are recast into their weak forms through a conventional isoparametric Galerkin approach. As a novel aspect, we propose a monolithic approach to solve the governing equations of excitation-contraction coupling in a fully coupled, implicit sense. We demonstrate the consistent linearization of the resulting set of non-linear residual equations. To assess the algorithmic performance, we illustrate characteristic features by means of representative three-dimensional initial-boundary value problems. The proposed algorithm may open new avenues to patient specific therapy design by circumventing stability and convergence issues inherent to conventional staggered solution schemes. PMID:23175588

The role of evapotranspiration fluxes in summertime precipitation in Central Europe: coupled groundwater-atmosphere simulations with the WRF-LEAFHYDRO system.

NASA Astrophysics Data System (ADS)

Regueiro Sanfiz, Sabela; Gómez, Breo; Miguez Macho, Gonzalo

2017-04-01

Because of its continental position, Central Europe summertime rainfall is largely dependent on local or regional dynamics, with precipitation water possibly also significantly dependent on local sources. We investigate here land-atmosphere feedbacks over inland Europe focusing in particular on evapotranspiration-soil moisture connections and precipitation recycling ratios. For this purpose, a set of simulations were performed with the Weather Research and Forecasting (WRF) model coupled to LEAFHYDRO soil-vegetation-hydrology model. The LEAFHYDRO Land Surface Model includes a groundwater parameterization with a dynamic water table fully coupling groundwater to the soil-vegetation and surface waters via two-way fluxes. A water tagging capability in the WRF model is used to quantify evapotranspiration contribution to precipitation over the region. Several years are considered, including summertime 2002, during which severe flooding occurred. Preliminary results from our simulations highlight the link of large areas with shallow water with high air moisture values through the summer season; and the importance of the contribution of evapotranspiration to summertime precipitation. Consequently, results show the advantages of using a fully coupled hydrology-atmospheric modeling system.

Design of an Fiber-Coupled Laser Heterodyne Interferometer for the FLARE

NASA Astrophysics Data System (ADS)

Frank, Samuel; Yoo, Jongsoo; Ji, Hantao; Jara-Almonte, Jon

2016-10-01

The FLARE (Facility for Laboratory Reconnection Experiments), which is currently under construction at PPPL, requires a complete set of laboratory plasma diagnostics. The Langmuir probes that will be used in the device to gather local density data require a reliable interferometer system to serve as baseline for density measurement calibration. A fully fiber-coupled infrared laser heterodyne interferometer has been designed in order to serve as the primary line-integrated electron density diagnostic. Thanks to advances in the communications industry many fiber optic devices and phase detection methods have advanced significantly becoming increasingly reliable and inexpensive. Fully fiber coupling a plasma interferometer greatly simplifies alignment procedures needed since the only free space laser path needing alignment is through the plasma itself. Fiber-coupling also provides significant resistance to vibrational noise, a common problem in plasma interferometry systems. This device also uses a greatly simplified phase detection scheme in which chips, originally developed for the communications industry, capable of directly detecting the phase shift of a signal with high time resolution. The design and initial performance of the system will be discussed.

Analysis of Fully Polarimetric Laboratory Measurements Performed with the WISDOM Radar

NASA Astrophysics Data System (ADS)

Plettemeier, D.; Ciarletti, V.; Cais, P.; Benedix, W.-S.; Zhang, H.; Hamran, S.-E.; Clifford, S.

2012-04-01

The Ground Penetrating Radar WISDOM (Water Ice Subsurface Deposit Observation on Mars) is one of the instruments selected to be part of the Pasteur payload of ESA's ExoMars Rover mission. The main scientific objectives of the Pasteur payload are to search for evidence of past and present life on Mars and to characterize the nature of the shallow subsurface. WISDOM is capable to obtain subsurface information along the rover path and to explore the first 3 meters of the soil with a vertical resolution of a few centimeters. WISDOM will help identify the location of sedimentary layers, where organic molecules are most likely to be found. By investigating geometry, location and properties of buried reflectors, WISDOM will contribute to the understanding of the 3D geological structure, electromagnetic nature, and, possibly, the state of water and ice in the shallow subsurface. WISDOM measurements will be performed 1) by conducting periodic soundings along the Rover traverse, which will provide a coarse, non-uniform, but positionally well-determined investigation of the landing site and 2) by selected high-resolution surveys of areas of strong scientific interest, which are identified for potential investigation and sampling by the Rover's drill. Such surveys will generally be conducted by acquiring a number of closely spaced parallel profiles. Supported by specific hardware features, like the arrangement of the fully polarimetric antenna system, an interpolated 3-D subsurface map of the local stratigraphy can be constructed from these radar measurements. Laboratory measurements are performed on a planar scanner in the anechoic chamber to simulate the closely spaced parallel profiles of selected high-resolution surveys. To characterize the performance of the radar and to be able to analyze the influence of radiation coupling effects between the rover and the antennas, the fully polarimetric WISDOM antenna system was mounted on a simple rover-like mockup. Calibration algorithms were applied to reduce the interference from radiation coupling and cross-talk between transmitting and receiving antenna. The analysis of the laboratory measurement will show features of the fully polarimetric radar system and quantify most of the important performance parameters. Synthetic aperture processing is implemented to increase the azimuth resolution of radar. The three dimensional reconstruction of the positioning of an arrangement of discrete objects will be shown.

Elastic strain and twist analysis of protein structural data and allostery of the transmembrane channel KcsA

NASA Astrophysics Data System (ADS)

Mitchell, Michael R.; Leibler, Stanislas

2018-05-01

The abundance of available static protein structural data makes the more effective analysis and interpretation of this data a valuable tool to supplement the experimental study of protein mechanics. Structural displacements can be difficult to analyze and interpret. Previously, we showed that strains provide a more natural and interpretable representation of protein deformations, revealing mechanical coupling between spatially distinct sites of allosteric proteins. Here, we demonstrate that other transformations of displacements yield additional insights. We calculate the divergence and curl of deformations of the transmembrane channel KcsA. Additionally, we introduce quantities analogous to bend, splay, and twist deformation energies of nematic liquid crystals. These transformations enable the decomposition of displacements into different modes of deformation, helping to characterize the type of deformation a protein undergoes. We apply these calculations to study the filter and gating regions of KcsA. We observe a continuous path of rotational deformations physically coupling these two regions, and, we propose, underlying the allosteric interaction between these regions. Bend, splay, and twist distinguish KcsA gate opening, filter opening, and filter-gate coupling, respectively. In general, physically meaningful representations of deformations (like strain, curl, bend, splay, and twist) can make testable predictions and yield insights into protein mechanics, augmenting experimental methods and more fully exploiting available structural data.

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

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

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

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

Coupled structural, thermal, phase-change and electromagnetic analysis for superconductors, volume 1

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Farhat, Charbel; Park, K. C.; Militello, Carmelo; Schuler, James J.

1993-01-01

This research program has dealt with the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements; (2) finite element modeling of the electromagnetic problem; (3) coupling of thermal and mechanical effects; and (4) computer implementation and solution of the superconductivity transition problem. The research was carried out over the period September 1988 through March 1993. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles; (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements; and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects; and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The grant has fully supported the thesis work of one doctoral student (James Schuler, who started on January 1989 and completed on January 1993), and partly supported another thesis (Carmelo Militello, who started graduate work on January 1988 completing on August 1991). Twenty-three publications have acknowledged full or part support from this grant, with 16 having appeared in archival journals and 3 in edited books or proceedings.

A Coupled Multiphysics Approach for Simulating Induced Seismicity, Ground Acceleration and Structural Damage

NASA Astrophysics Data System (ADS)

Podgorney, Robert; Coleman, Justin; Wilkins, Amdrew; Huang, Hai; Veeraraghavan, Swetha; Xia, Yidong; Permann, Cody

2017-04-01

Numerical modeling has played an important role in understanding the behavior of coupled subsurface thermal-hydro-mechanical (THM) processes associated with a number of energy and environmental applications since as early as the 1970s. While the ability to rigorously describe all key tightly coupled controlling physics still remains a challenge, there have been significant advances in recent decades. These advances are related primarily to the exponential growth of computational power, the development of more accurate equations of state, improvements in the ability to represent heterogeneity and reservoir geometry, and more robust nonlinear solution schemes. The work described in this paper documents the development and linkage of several fully-coupled and fully-implicit modeling tools. These tools simulate: (1) the dynamics of fluid flow, heat transport, and quasi-static rock mechanics; (2) seismic wave propagation from the sources of energy release through heterogeneous material; and (3) the soil-structural damage resulting from ground acceleration. These tools are developed in Idaho National Laboratory's parallel Multiphysics Object Oriented Simulation Environment, and are integrated together using a global implicit approach. The governing equations are presented, the numerical approach for simultaneously solving and coupling the three coupling physics tools is discussed, and the data input and output methodology is outlined. An example is presented to demonstrate the capabilities of the coupled multiphysics approach. The example involves simulating a system conceptually similar to the geothermal development in Basel Switzerland, and the resultant induced seismicity, ground motion and structural damage is predicted.

AC Loss Analysis of MgB2-Based Fully Superconducting Machines

NASA Astrophysics Data System (ADS)

Feddersen, M.; Haran, K. S.; Berg, F.

2017-12-01

Superconducting electric machines have shown potential for significant increase in power density, making them attractive for size and weight sensitive applications such as offshore wind generation, marine propulsion, and hybrid-electric aircraft propulsion. Superconductors exhibit no loss under dc conditions, though ac current and field produce considerable losses due to hysteresis, eddy currents, and coupling mechanisms. For this reason, many present machines are designed to be partially superconducting, meaning that the dc field components are superconducting while the ac armature coils are conventional conductors. Fully superconducting designs can provide increases in power density with significantly higher armature current; however, a good estimate of ac losses is required to determine the feasibility under the machines intended operating conditions. This paper aims to characterize the expected losses in a fully superconducting machine targeted towards aircraft, based on an actively-shielded, partially superconducting machine from prior work. Various factors are examined such as magnet strength, operating frequency, and machine load to produce a model for the loss in the superconducting components of the machine. This model is then used to optimize the design of the machine for minimal ac loss while maximizing power density. Important observations from the study are discussed.

Fully automated two-step assay for detection of metallothionein through magnetic isolation using functionalized γ-Fe2O3 particles.

PubMed

Merlos Rodrigo, Miguel Angel; Krejcova, Ludmila; Kudr, Jiri; Cernei, Natalia; Kopel, Pavel; Richtera, Lukas; Moulick, Amitava; Hynek, David; Adam, Vojtech; Stiborova, Marie; Eckschlager, Tomas; Heger, Zbynek; Zitka, Ondrej

2016-12-15

Metallothioneins (MTs) are involved in heavy metal detoxification in a wide range of living organisms. Currently, it is well known that MTs play substantial role in many pathophysiological processes, including carcinogenesis, and they can serve as diagnostic biomarkers. In order to increase the applicability of MT in cancer diagnostics, an easy-to-use and rapid method for its detection is required. Hence, the aim of this study was to develop a fully automated and high-throughput assay for the estimation of MT levels. Here, we report the optimal conditions for the isolation of MTs from rabbit liver and their characterization using MALDI-TOF MS. In addition, we described a two-step assay, which started with an isolation of the protein using functionalized paramagnetic particles and finished with their electrochemical analysis. The designed easy-to-use, cost-effective, error-free and fully automated procedure for the isolation of MT coupled with a simple analytical detection method can provide a prototype for the construction of a diagnostic instrument, which would be appropriate for the monitoring of carcinogenesis or MT-related chemoresistance of tumors. Copyright © 2016 Elsevier B.V. All rights reserved.

Air-Sea Momentum and Enthalpy Exchange in Coupled Atmosphere-Wave-Ocean Modeling of Tropical Cyclones

NASA Astrophysics Data System (ADS)

Curcic, M.; Chen, S. S.

2016-02-01

The atmosphere and ocean are coupled through momentum, enthalpy, and mass fluxes. Accurate representation of these fluxes in a wide range of weather and climate conditions is one of major challenges in prediction models. Their current parameterizations are based on sparse observations in low-to-moderate winds and are not suited for high wind conditions such as tropical cyclones (TCs) and winter storms. In this study, we use the Unified Wave INterface - Coupled Model (UWIN-CM), a high resolution, fully-coupled atmosphere-wave-ocean model, to better understand the role of ocean surface waves in mediating air-sea momentum and enthalpy exchange in TCs. In particular, we focus on the explicit treatment of wave growth and dissipation for calculating atmospheric and oceanic stress, and its role in upper ocean mixing and surface cooling in the wake of the storm. Wind-wave misalignment and local wave disequilibrium result in difference between atmospheric and oceanic stress being largest on the left side of the storm. We find that explicit wave calculation in the coupled model reduces momentum transfer into the ocean by more than 10% on average, resulting in reduced cooling in TC's wake and subsequent weakening of the storm. We also investigate the impacts of sea surface temperature and upper ocean parameterization on air-sea enthalpy fluxes in the fully coupled model. High-resolution UWIN-CM simulations of TCs with various intensities and structure are conducted in this study to better understand the complex TC-ocean interaction and improve the representation of air-sea coupling processes in coupled prediction models.

Operational coupled atmosphere - ocean - ice forecast system for the Gulf of St. Lawrence, Canada

NASA Astrophysics Data System (ADS)

Faucher, M.; Roy, F.; Desjardins, S.; Fogarty, C.; Pellerin, P.; Ritchie, H.; Denis, B.

2009-09-01

A fully interactive coupled atmosphere-ocean-ice forecasting system for the Gulf of St. Lawrence (GSL) has been running in experimental mode at the Canadian Meteorological Centre (CMC) for the last two winter seasons. The goal of this project is to provide more accurate weather and sea ice forecasts over the GSL and adjacent coastal areas by including atmosphere-oceanice interactions in the CMC operational forecast system using a formal coupling strategy between two independent modeling components. The atmospheric component is the Canadian operational GEM model (Côté et al. 1998) and the oceanic component is the ocean-ice model for the Gulf of St. Lawrence developed at the Maurice Lamontagne Institute (IML) (Saucier et al. 2003, 2004). The coupling between those two models is achieved by exchanging surface fluxes and variables through MPI communication. The re-gridding of the variables is done with a package developed at the Recherche en Prevision Numerique centre (RPN, Canada). Coupled atmosphere - ocean - ice forecasts are issued once a day based on 00GMT data. Results for the past two years have demonstrated that the coupled system produces improved forecasts in and around the GSL during all seasons, proving that atmosphere-ocean-ice interactions are indeed important even for short-term Canadian weather forecasts. This has important implications for other coupled modeling and data assimilation partnerships that are in progress involving EC, the Department of Fisheries and Oceans (DFO) and the National Defense (DND). Following this experimental phase, it is anticipated that this GSL system will be the first fully interactive coupled system to be implemented at CMC.

Providing Real-time Sea Ice Modeling Support to the U.S. Coast Guard

NASA Astrophysics Data System (ADS)

Allard, Richard; Dykes, James; Hebert, David; Posey, Pamela; Rogers, Erick; Wallcraft, Alan; Phelps, Michael; Smedstad, Ole Martin; Wang, Shouping; Geiszler, Dan

2016-04-01

The Naval Research Laboratory (NRL) supported the U.S. Coast Guard Research Development Center (RDC) through a demonstration project during the summer and autumn of 2015. Specifically, a modeling system composed of a mesoscale atmospheric model, regional sea ice model, and regional wave model were loosely coupled to provide real-time 72-hr forecasts of environmental conditions for the Beaufort/Chukchi Seas. The system components included a 2-km regional Community Ice CodE (CICE) sea ice model, 15-km Coupled Ocean Atmosphere Mesoscale Prediction System (COAMPS) atmospheric model, and a 5-km regional WAVEWATCH III wave model. The wave model utilized modeled sea ice concentration fields to incorporate the effects of sea ice on waves. The other modeling components assimilated atmosphere, ocean, and ice observations available from satellite and in situ sources. The modeling system generated daily 72-hr forecasts of synoptic weather (including visibility), ice drift, ice thickness, ice concentration and ice strength for missions within the economic exclusion zone off the coast of Alaska and a transit to the North Pole in support of the National Science Foundation GEOTRACES cruise. Model forecasts graphics were shared on a common web page with selected graphical products made available via ftp for bandwidth limited users. Model ice thickness and ice drift show very good agreement compared with Cold Regions Research and Engineering Laboratory (CRREL) Ice Mass Balance buoys. This demonstration served as a precursor to a fully coupled atmosphere-ocean-wave-ice modeling system under development. National Ice Center (NIC) analysts used these model data products (CICE and COAMPS) along with other existing model and satellite data to produce the predicted 48-hr position of the ice edge. The NIC served as a liaison with the RDC and NRL to provide feedback on the model predictions. This evaluation provides a baseline analysis of the current models for future comparison studies with the fully coupled modeling system.

Numerically exploring habitat fragmentation effects on populations using cell-based coupled map lattices

Treesearch

Michael Bevers; Curtis H. Flather

1999-01-01

We examine habitat size, shape, and arrangement effects on populations using a discrete reaction-diffusion model. Diffusion is modeled passively and applied to a cellular grid of territories forming a coupled map lattice. Dispersal mortality is proportional to the amount of nonhabitat and fully occupied habitat surrounding a given cell, with distance decay. After...

Effects of Buoyancy on the Flowfields of Lean Premixed Turbulent V-Flames

NASA Technical Reports Server (NTRS)

Cheng, R. K.; Bedat, B.; Yegian, D. T.; Greenberg, P.

1999-01-01

Open laboratory turbulent flames used for investigating fundamental flame turbulence interactions are greatly affected by buoyancy. Though much of our current knowledge is based on observations made in open flames, buoyancy effects are usually not considered in data interpretation, numerical analysis or theories. This inconsistency remains an obstacle to merging experimental observations and theoretical predictions. To better understanding the effects of buoyancy, our research focuses on steady lean premixed flames propagating in fully developed turbulence. We hypothesize that the most significant role of buoyancy forces on these flames is to influence their flowfields through a coupling with the mean and the fluctuating pressure fields. This coupling relates to the elliptical problem that emphasizes the importance of the upstream, wall and downstream boundary conditions in determining all aspects of flame propagation. Therefore, buoyancy has the same significance as other parameters such as flow configuration, and flame geometry.

Coupling analysis of high Q resonators in add-drop configuration through cavity ringdown spectroscopy

NASA Astrophysics Data System (ADS)

Frigenti, G.; Arjmand, M.; Barucci, A.; Baldini, F.; Berneschi, S.; Farnesi, D.; Gianfreda, M.; Pelli, S.; Soria, S.; Aray, A.; Dumeige, Y.; Féron, P.; Nunzi Conti, G.

2018-06-01

An original method able to fully characterize high-Q resonators in an add-drop configuration has been implemented. The method is based on the study of two cavity ringdown (CRD) signals, which are produced at the transmission and drop ports by wavelength sweeping a resonance in a time interval comparable with the photon cavity lifetime. All the resonator parameters can be assessed with a single set of simultaneous measurements. We first developed a model describing the two CRD output signals and a fitting program able to deduce the key parameters from the measured profiles. We successfully validated the model with an experiment based on a fiber ring resonator of known characteristics. Finally, we characterized a high-Q, home-made, MgF2 whispering gallery mode disk resonator in the add-drop configuration, assessing its intrinsic and coupling parameters.

Fully Coupled Thermomechanical Finite Element Analysis of Material Evolution During Friction-Stir Welding of AA5083

DTIC Science & Technology

2009-09-03

coefficients are set to a value of 0.3. The stick/slip critical shear stress level is defined using a modified Coulomb friction law. Within this law, there...Modified Johnson Cook Model Equivalent Plastic Strain a P M,htgnert S d lei Y 1 2 3 4 5 6 7 420 440 460 480 500 520 540 560 Original Johnson Cook Model...Lett., 2005, 59, 3315–3318. 7 Thomas, W. M. and Nicholas, E. D. Friction stir welding for the transportation industries. Mater. Des ., 1997, 18, 269

Theoretical analysis of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator

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

Shin, Y.M.; Ryskin, N.M.; Won, J.H.

The basic theory of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator consisting of two two-cavity klystron amplifiers reversely coupled through input/output slots is theoretically investigated. Application of Kirchhoff's laws to the coupled equivalent RLC circuit model of the device provides four nonlinear coupled equations, which are the first-order time-delayed differential equations. Analytical solutions obtained through linearization of the equations provide oscillation frequencies and thresholds of four fundamental eigenstates, symmetric/antisymmetric 0/{pi} modes. Time-dependent output signals are numerically analyzed with variation of the beam current, and a self-modulation mechanism and transition to chaos scenario are examined. The oscillatormore » shows a much stronger multistability compared to a delayed feedback klystron oscillator owing to the competitions among more diverse eigenmodes. A fully developed chaos region also appears at a relatively lower beam current, {approx}3.5I{sub st}, compared to typical vacuum tube oscillators (10-100I{sub st}), where I{sub st} is a start-oscillation current.« less

Electrochemical sensing of total antioxidant capacity and polyphenol content in wine samples using amperometry online-coupled with microdialysis.

PubMed

Jakubec, Petr; Bancirova, Martina; Halouzka, Vladimir; Lojek, Antonin; Ciz, Milan; Denev, Petko; Cibicek, Norbert; Vacek, Jan; Vostalova, Jitka; Ulrichova, Jitka; Hrbac, Jan

2012-08-15

This work describes the method for total antioxidant capacity (TAC) and/or total content of phenolics (TCP) analysis in wines using microdialysis online-coupled with amperometric detection using a carbon microfiber working electrode. The system was tested on 10 selected wine samples, and the results were compared with total reactive antioxidant potential (TRAP), oxygen radical absorbance capacity (ORAC), and chemiluminescent determination of total antioxidant capacity (CL-TAC) methods using Trolox and catechin as standards. Microdialysis online-coupled with amperometric detection gives similar results to the widely used cyclic voltammetry methodology and closely correlates with ORAC and TRAP. The problem of electrode fouling is overcome by the introduction of an electrochemical cleaning step (1-2 min at the potential of 0 V vs Ag/AgCl). Such a procedure is sufficient to fully regenerate the electrode response for both red and white wine samples as well as catechin/Trolox standards. The appropriate size of microdialysis probes enables easy automation of the electrochemical TAC/TCP measurement using 96-well microtitration plates.

Dynamical Coupling Between the Stratosphere and the Troposphere: The Influence of External Forcings

NASA Astrophysics Data System (ADS)

Hansen, Felicitas; Matthes, Katja

2013-04-01

The dynamical coupling between the stratosphere and the troposphere is dominated by planetary waves that are generated in the troposphere by orography and land-sea contrasts. These waves travel upward into the stratosphere where they either dissipate or are reflected downward to impact the troposphere again. Through the interaction with the zonal mean flow planetary waves can induce stratospheric sudden warmings (SSWs), i.e., conditions during NH winter where the stratospheric polar vortex is disturbed so that the zonal mean zonal wind in the NH stratospheric jet becomes easterly and the polar cap meridional temperature gradient reverses. Since strong major SSWs can propagate down into the troposphere and even affect surface weather, SSWs present a strong and clear manifestation of the dynamical coupling in the stratosphere-troposphere system. We will investigate the influence of some external forcings, namely sea surface temperatures (SSTs), anthropogenic greenhouse gases and the quasi-biennial oscillation (QBO), on these coupling processes. Thereby we are interested in how the distribution of SSWs in the winter months changes due to the different forcings, whether the events evolve differently, and whether they show differences in their preconditioning, e.g. a different wave geometry. We will also investigate whether and how vertical reflective surfaces in the stratosphere, which can reflect upward propagating planetary waves, influence the evolution of SSWs. To address these questions, we performed a set of model simulations with NCAR's Community Earth System Model (CESM), a coupled model system including an interactive ocean (POP2), land (CLM4), sea ice (CICE) and atmosphere (NCAR's Whole Atmosphere Community Climate Model (WACCM)) component. Our control experiment is a 140-year simulation with the fully coupled atmosphere-ocean version of CESM. A second experiment is a 55-year simulation with only CESM's atmospheric component WACCM, a fully interactive chemistry-climate model extending from the Earth's surface through the thermosphere (about 140 km), with underlying climatological SSTs obtained from the coupled CESM control run. A third 55-year simulation is performed without the nudging of the equatorial QBO. All three simulations develop under conditions where greenhouse gases are held constant at the 1960 level. In a fourth simulations, the greenhouse gases follow the RCP8.5 scenario. From the differences of the individual simulations to the control experiment we can estimate the respective roles of SSTs, the QBO and anthropogenic greenhouse gases for the stratosphere-troposphere coupling. The model results will be compared to the Modern Era Retrospective-Analysis for Research and Applications (MERRA) dataset.

Modeling of the Coupling of Microstructure and Macrosegregation in a Direct Chill Cast Al-Cu Billet

NASA Astrophysics Data System (ADS)

Heyvaert, Laurent; Bedel, Marie; Založnik, Miha; Combeau, Hervé

2017-10-01

The macroscopic multiphase flow and the growth of the solidification microstructures in the mushy zone of a direct chill (DC) casting are closely coupled. These couplings are the key to the understanding of the formation of the macrosegregation and of the non-uniform microstructure of the casting. In the present paper we use a multiphase and multiscale model to provide a fully coupled picture of the links between macrosegregation and microstructure in a DC cast billet. The model describes nucleation from inoculant particles and growth of dendritic and globular equiaxed crystal grains, fully coupled with macroscopic transport phenomena: fluid flow induced by natural convection and solidification shrinkage, heat, mass, and solute mass transport, motion of free-floating equiaxed grains, and of grain refiner particles. We compare our simulations to experiments on grain-refined and non-grain-refined industrial size billets from literature. We show that a transition between dendritic and globular grain morphology triggered by the grain refinement is the key to the explanation of the differences between the macrosegregation patterns in the two billets. We further show that the grain size and morphology are strongly affected by the macroscopic transport of free-floating equiaxed grains and of grain refiner particles.

Computation of three-dimensional multiphase flow dynamics by Fully-Coupled Immersed Flow (FCIF) solver

NASA Astrophysics Data System (ADS)

Miao, Sha; Hendrickson, Kelli; Liu, Yuming

2017-12-01

This work presents a Fully-Coupled Immersed Flow (FCIF) solver for the three-dimensional simulation of fluid-fluid interaction by coupling two distinct flow solvers using an Immersed Boundary (IB) method. The FCIF solver captures dynamic interactions between two fluids with disparate flow properties, while retaining the desirable simplicity of non-boundary-conforming grids. For illustration, we couple an IB-based unsteady Reynolds Averaged Navier Stokes (uRANS) simulator with a depth-integrated (long-wave) solver for the application of slug development with turbulent gas and laminar liquid. We perform a series of validations including turbulent/laminar flows over prescribed wavy boundaries and freely-evolving viscous fluids. These confirm the effectiveness and accuracy of both one-way and two-way coupling in the FCIF solver. Finally, we present a simulation example of the evolution from a stratified turbulent/laminar flow through the initiation of a slug that nearly bridges the channel. The results show both the interfacial wave dynamics excited by the turbulent gas forcing and the influence of the liquid on the gas turbulence. These results demonstrate that the FCIF solver effectively captures the essential physics of gas-liquid interaction and can serve as a useful tool for the mechanistic study of slug generation in two-phase gas/liquid flows in channels and pipes.

Sensitivity analysis for the coupling of a subglacial hydrology model with a 3D ice-sheet model.

NASA Astrophysics Data System (ADS)

Bertagna, L.; Perego, M.; Gunzburger, M.; Hoffman, M. J.; Price, S. F.

2017-12-01

When studying the movement of ice sheets, one of the most important factors that influence the velocity of the ice is the amount of friction against the bedrock. Usually, this is modeled by a friction coefficient that may depend on the bed geometry and other quantities, such as the temperature and/or water pressure at the ice-bedrock interface. These quantities are often assumed to be known (either by indirect measurements or by means of parameter estimation) and constant in time. Here, we present a 3D computational model for the simulation of the ice dynamics which incorporates a 2D model proposed by Hewitt (2011) for the subglacial water pressure. The hydrology model is fully coupled with the Blatter-Pattyn model for the ice sheet flow, as the subglacial water pressure appears in the expression for the ice friction coefficient, and the ice velocity appears as a source term in the hydrology model. We will present results on real geometries, and perform a sensitivity analysis with respect to the hydrology model parameters.

Evaluation of Transient Pin-Stress Requirements for Spacecraft Launching in Lightning Environments. Pain Free Analysis to Alleviate Those Pin Stress Headaches

NASA Technical Reports Server (NTRS)

Edwards, Paul; Terseck, Alex; Trout, Dawn

2016-01-01

Spacecraft are generally protected from direct lightning attachment by encapsulation within the payload fairing of a launch vehicle and the ground structures that exist at the launch site. Regardless of where lightning strikes, potentially damaging indirect effects prevail from the coupling of electromagnetic fields into a loop created by outer shield of the payload umbilical. The energy coupled into individual spacecraft circuits is dependent on the umbilical current drive, the cable transfer impedance and the source/ load circuitry, and the reference potential used. Lightning induced transient susceptibility of the spacecraft avionics needs to be fully understood in order to define realistic re-test criteria in the event of a lightning occurrence during the launch campaign. Use of standards such as RTCA/DO-160 & SAE 5412 has some applicability but do not represent the indirect environment adequately. This paper evaluates the launch pad environments, the measurement data available, and computer simulations to provide pain-free analysis to alleviate the transient pin-stress headaches for spacecraft launching in Lightning environments.

A Mass Tracking Formulation for Bubbles in Incompressible Flow

DTIC Science & Technology

2012-10-14

incompressible flow to fully nonlinear compressible flow including the effects of shocks and rarefactions , and then subsequently making a number of...using the ideas from [19] to couple together incompressible flow with fully nonlinear compressible flow including shocks and rarefactions . The results...compressible flow including the effects of shocks and rarefactions , and then subsequently making a number of simplifying assumptions on the air flow

Nucleon-nucleon scattering from fully dynamical lattice QCD.

PubMed

Beane, S R; Bedaque, P F; Orginos, K; Savage, M J

2006-07-07

We present results of the first fully dynamical lattice QCD determination of nucleon-nucleon scattering lengths in the 1S0 channel and 3S1 - 3D1 coupled channels. The calculations are performed with domain-wall valence quarks on the MILC staggered configurations with a lattice spacing of b = 0.125 fm in the isospin-symmetric limit, and in the absence of electromagnetic interactions.

Single-tube tetradecaplex panel of highly polymorphic microsatellite markers < 1 Mb from F8 for simplified preimplantation genetic diagnosis of hemophilia A.

PubMed

Zhao, M; Chen, M; Tan, A S C; Cheah, F S H; Mathew, J; Wong, P C; Chong, S S

2017-07-01

Essentials Preimplantation genetic diagnosis (PGD) of severe hemophilia A relies on linkage analysis. Simultaneous multi-marker screening can simplify selection of informative markers in a couple. We developed a single-tube tetradecaplex panel of polymorphic markers for hemophilia A PGD use. Informative markers can be used for linkage analysis alone or combined with mutation detection. Background It is currently not possible to perform single-cell preimplantation genetic diagnosis (PGD) to directly detect the common inversion mutations of the factor VIII (F8) gene responsible for severe hemophilia A (HEMA). As such, PGD for such inversion carriers relies on indirect analysis of linked polymorphic markers. Objectives To simplify linkage-based PGD of HEMA, we aimed to develop a panel of highly polymorphic microsatellite markers located near the F8 gene that could be simultaneously genotyped in a multiplex-PCR reaction. Methods We assessed the polymorphism of various microsatellite markers located ≤ 1 Mb from F8 in 177 female subjects. Highly polymorphic markers were selected for co-amplification with the AMELX/Y indel dimorphism in a single-tube reaction. Results Thirteen microsatellite markers located within 0.6 Mb of F8 were successfully co-amplified with AMELX/Y in a single-tube reaction. Observed heterozygosities of component markers ranged from 0.43 to 0.84, and ∼70-80% of individuals were heterozygous for ≥ 5 markers. The tetradecaplex panel successfully identified fully informative markers in a couple interested in PGD for HEMA because of an intragenic F8 point mutation, with haplotype phasing established through a carrier daughter. In-vitro fertilization (IVF)-PGD involved single-tube co-amplification of fully informative markers with AMELX/Y and the mutation-containing F8 amplicon, followed by microsatellite analysis and amplicon mutation-site minisequencing analysis. Conclusions The single-tube multiplex-PCR format of this highly polymorphic microsatellite marker panel simplifies identification and selection of informative markers for linkage-based PGD of HEMA. Informative markers can also be easily co-amplified with mutation-containing F8 amplicons for combined mutation detection and linkage analysis. © 2017 International Society on Thrombosis and Haemostasis.

Marriage in the 20th century: A feminist perspective.

PubMed

Rampage, Cheryl

2002-01-01

A defining feature of the 20th century in Western civilization was a profound change in the roles women play in both private and public life. The field of couple therapy was influenced by that change and, to a limited extent, participated in it. I will argue that the field has avoided fully embracing the principles of feminism that generated the social changes in gender and marital roles, settling instead for a more token acknowledgment that gender means something, without wanting to specify what that something is. In responding to the other articles in this issue, I make the case that the connection between gender and power in marriage needs to be more fully integrated, in the theory, research, and treatment of couples.

A shock capturing technique for hypersonic, chemically relaxing flows

NASA Technical Reports Server (NTRS)

Eberhardt, S.; Brown, K.

1986-01-01

A fully coupled, shock capturing technique is presented for chemically reacting flows at high Mach numbers. The technique makes use of a total variation diminishing (TVD) dissipation operator which results in sharp, crisp shocks. The eigenvalues and eigenvectors of the fully coupled system, which includes species conversion equations in addition to the gas dynamics equations, are analytically derived for a general reacting gas. Species production terms for a model dissociating gas are introduced and are included in the algorithm. The convective terms are solved using a first-order TVD scheme while the source terms are solved using a fourth-order Runge-Kutta scheme to enhance stability. Results from one-dimensional numerical experiments are shown for a two species and a three species gas.

Resilient Nodeless d -Wave Superconductivity in Monolayer FeSe

NASA Astrophysics Data System (ADS)

Agterberg, D. F.; Shishidou, T.; O'Halloran, J.; Brydon, P. M. R.; Weinert, M.

2017-12-01

Monolayer FeSe exhibits the highest transition temperature among the iron based superconductors and appears to be fully gapped, seemingly consistent with s -wave superconductivity. Here, we develop a theory for the superconductivity based on coupling to fluctuations of checkerboard magnetic order (which has the same translation symmetry as the lattice). The electronic states are described by a symmetry based k .p -like theory and naturally account for the states observed by angle resolved photoemission spectroscopy. We show that a prediction of this theory is that the resultant superconducting state is a fully gapped, nodeless, d -wave state. This state, which would usually have nodes, stays nodeless because, as seen experimentally, the relevant spin-orbit coupling has an energy scale smaller than the superconducting gap.

Gunshot residue (GSR) analysis by single particle inductively coupled plasma mass spectrometry (spICP-MS).

PubMed

Heringer, Rodrigo D; Ranville, James F

2018-05-25

Single particle inductively coupled plasma mass spectrometry (spICP-MS) was investigated as a screening-level technique for the analysis and characterization of inorganic gunshot residue (IGSR) nanoparticles. spICP-MS works with undigested samples whereby nanoparticles (NPs) in a suspension are individually atomized and ionized as they reach the plasma, each resulting in a pulse of analyte ions that can be quantified. The method is rapid, and signals from hundreds of NPs can be collected in 1-2min per sample. The technique is quantitative for NP mass and number concentration when only one element (single element mode) is measured using a quadrupole MS. Likewise, a qualitative elemental fingerprint can be obtained for individual NPs when peak-hopping between two elements (dual element mode). For this proof of concept study, each shooter's hand was sampled with ultrapure water or swab to obtain NPs suspensions. Measurements of antimony, barium, and lead were performed using both analysis modes. With no sample preparation and fully automated sample introduction, it is possible to analyze more than 100 samples in a day. Results show that this technique opens a new perspective for future research on GSR sample identification and characterization and can complement SEM/EDX analysis. Copyright © 2018 Elsevier B.V. All rights reserved.

A Decadal-scale Air-sea Interaction Theory for North Atlantic Multidecadal Variability: the NAT-NAO-AMOC-AMO Coupled Mode and Its Remote Influences

NASA Astrophysics Data System (ADS)

Li, Jianping; Sun, Cheng; Jin, Fei-Fei

2017-04-01

ABSTRACT North Atlantic region shows prominent multidecadal variability. Observational analysis shows that the North Atlantic Oscillation (NAO) leads the oceanic Atlantic Multidecadal Oscillation (AMO) by 15-20 years and the latter also leads the former by around 15 years. The mechanisms are investigated using simulations from a fully coupled model, and a NATNAO-AMOC-AMO Coupled Mode is proposed to explain the multidecadal variability in North Atlantic region. The NAT-NAO-AMO-AMOC coupled mode has important remote influences on regional climates. Observational analysis identifies a significant in-phase relationship between the AMV and Siberian warm season (May to October) precipitation. The physical mechanism for this relationship is investigated using both observations and numerical simulations. North Atlantic sea surface temperature (SST) warming associated with the positive AMV phase can excite an eastward propagating wave train response across the entire Eurasian continent, which includes an east-west dipole structure over Siberia. The dipole then leads to anomalous southerly winds bringing moisture northward to Siberia; the precipitation increases correspondingly. Furthermore, a prominent teleconnection pattern of multidecadal variability of cold season (November to April) upper-level atmospheric circulation over North Africa and Eurasia (NA-EA) is revealed by empirical orthogonal function analysis of the Twentieth Century Reanalysis data, and this teleconnection pattern is referred to as the Africa-Asia multidecadal teleconnection pattern (AAMT). A strong inphase relationship is observed between the AAMT and Atlantic multidecadal variability (AMV) and this connection is mainly due to Rossby wave dynamics. The AAMT acts as an atmospheric bridge conveying the influence of AMV onto the downstream multidecadal climate variability.

Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

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

Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang

2015-12-21

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is stronglymore » correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction.« less

TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field

NASA Astrophysics Data System (ADS)

Dziedzic, Jacek; Mao, Yuezhi; Shao, Yihan; Ponder, Jay; Head-Gordon, Teresa; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-09-01

We present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression for the Hamiltonian of the coupled QM/MM system, which we minimize using gradient methods. The QM subsystem is described by the onetep linear-scaling DFT approach, which makes use of strictly localized orbitals expressed in a set of periodic sinc basis functions equivalent to plane waves. The MM subsystem is described by the multipolar, polarizable force field AMOEBA, as implemented in tinker. Distributed multipole analysis is used to obtain, on the fly, a classical representation of the QM subsystem in terms of atom-centered multipoles. This auxiliary representation is used for all polarization interactions between QM and MM, allowing us to treat them on the same footing as in AMOEBA. We validate our method in tests of solute-solvent interaction energies, for neutral and charged molecules, demonstrating the simultaneous optimization of the quantum and classical degrees of freedom. Encouragingly, we find that the inclusion of explicit polarization in the MM part of QM/MM improves the agreement with fully QM calculations.

Kinetic and spectroscopic characterization of tungsten-substituted DMSO reductase from Rhodobacter sphaeroides.

PubMed

Pacheco, Josué; Niks, Dimitri; Hille, Russ

2018-03-01

We have examined the kinetic and spectroscopic properties of a tungsten-substituted form of DMSO reductase from Rhodobacter sphaeroides, an enzyme that normally possesses molybdenum. Partial reduction with sodium dithionite yields a well-resolved W(V) EPR signal of the so-called "high-g split" type that exhibits markedly greater g-anisotropy than the corresponding Mo(V) signal of the native form of the enzyme, with the g values shifted to higher magnetic field by as much as Δg ave  = 0.056. Deuteration of the enzyme confirms that the coupled proton is solvent-exchangeable, allowing us to accurately simulate the tungsten hyperfine coupling. Global curve-fitting analysis of UV/vis absorption spectra observed in the course of the reaction of the tungsten-substituted enzyme with sodium dithionite affords a well-defined absorption spectrum for the W(V) species. Surprisingly, the absorption spectrum for this species exhibits significantly larger molar extinction coefficients than either the reduced or the oxidized spectrum. This spectrum, in conjunction with those for fully oxidized W(VI) and fully reduced W(IV) enzyme, has been used to deconvolute the absorption spectra seen in the course of turnover, in the which enzyme is reacted with sodium dithionite and DMSO, demonstrating that the W(V) is an authentic catalytic intermediate that accumulates to approximately 50% of the total enzyme in the steady state.

Neural networks for data mining electronic text collections

NASA Astrophysics Data System (ADS)

Walker, Nicholas; Truman, Gregory

1997-04-01

The use of neural networks in information retrieval and text analysis has primarily suffered from the issues of adequate document representation, the ability to scale to very large collections, dynamism in the face of new information and the practical difficulties of basing the design on the use of supervised training sets. Perhaps the most important approach to begin solving these problems is the use of `intermediate entities' which reduce the dimensionality of document representations and the size of documents collections to manageable levels coupled with the use of unsupervised neural network paradigms. This paper describes the issues, a fully configured neural network-based text analysis system--dataHARVEST--aimed at data mining text collections which begins this process, along with the remaining difficulties and potential ways forward.

New Robust Design Guideline forImperfection Sensitive Composite Launcher Structures- The Desicos Project

NASA Astrophysics Data System (ADS)

Degenhardt, Richard

2014-06-01

Space industry demands for reduced development and operating costs. Structural weight reduction by exploitation of structural reserves in composite space and aerospace structures contributes to this aim, however, it requires accurate and experimentally validated stability analysis. Currently, the potential of composite light weight structures, which are prone to buckling, is not fully exploited as appropriate guidelines in the field of space applications do not exist. This paper deals with the state-of-the-art advances and challenges related to coupled stability analysis of composite structures which show very complex stability behaviour. Improved design guidelines for composites structures are still under development. This paper gives a short state-of-the-art and presents a proposal for a future design guideline.

Generalization of the slip line field theory for temperature sensitive visco-plastic materials

NASA Astrophysics Data System (ADS)

Paesold, Martin; Peters, Max; Regenauer-Lieb, Klaus; Veveakis, Manolis; Bassom, Andrew

2015-04-01

Geological processes can be a combination of various effects such as heat production or consumption, chemical reactions or fluid flow. These individual effects are coupled to each other via feedbacks and the mathematical analysis becomes challenging due to these interdependencies. Here, we concentrate solely on thermo-mechanical coupling and a main result of this work is that the coupling can depend on material parameters and boundary conditions and the coupling is more or less pronounced depending on theses parameters. The transitions from weak to strong coupling can be studied in the context of a bifurcation analysis. classically, Material instabilities in solids are approached as material bifurcations of a rate-independent, isothermal, elasto-plastic solid. However, previous research has shown that temperature and deformation rate are important factors and are fully coupled with the mechanical deformation. Early experiments in steel revealed a distinct pattern of localized heat dissipation and plastic deformation known as heat lines. Further, earth materials, soils, rocks and ceramics are known to be greatly influenced by temperature with strain localization being strongly affected by thermal loading. In this work, we provide a theoretical framework for the evolution of plastic deformation for such coupled systems, with a two-pronged approach to the prediction of localized failure. First, slip line field theory is employed to predict the geometry of the failure patterns and second, failure criteria are derived from an energy bifurcation analysis. The bifurcation analysis is concerned with the local energy balance of a material and compares the effects of heat diffusion terms and heat production terms where the heat production is due to mechanical processes. Commonly, the heat is produced locally along the slip lines and if the heat production outweighs diffusion the material is locally weakened which eventually leads to failure. The effect of diffusion and heat production is captured by a dimensionless quantity, the Gruntfest number, and only if the Gruntfest number is larger than a critical value localized failure occurs. This critical Gruntfest number depends on boundary conditions such as temperature or pressure and hence this critical value gives rise to localization criteria. We find that the results of this approach agree with earlier contributions to the theory of plasticity but gives the advantage of a unified framework which might prove useful in numerical schemes for visco-plasticity.

A New Perspective on the Foraging Ecology of Apex Predators in the California Current: Results from a Fully Coupled Ecosystem Model

NASA Astrophysics Data System (ADS)

Fiechter, J.; Huckstadt, L. A.; Rose, K.; Costa, D. P.; Curchitser, E. N.; Hedstrom, K.; Edwards, C. A.; Moore, A. M.

2016-02-01

Results from a fully coupled end-to-end ecosystem model for the California Current Large Marine Ecosystem are used to describe the impact of environmental variability on the foraging ecology of its most abundant apex predator, California sea lions (Zalophus californianus). The ecosystem model consists of a biogeochemical submodel embedded in a regional ocean circulation submodel, and both coupled with a multi-species individual-based submodel for forage fish (sardine and anchovy) and California sea lions. For sea lions, bioenergetics and behavioral attributes are specified using available TOPP (Tagging Of Pacific Predators) data on their foraging patterns and diet in the California Current. Sardine and anchovy are explicitly included in the model as they represent important prey sources for California sea lions and exhibit significant interannual and decadal variability in population abundances. Output from a 20-year run (1989-2008) of the model demonstrates how different physical and biological processes control habitat utilization and foraging success of California sea lions on interannual time scales. A principal component analysis of sea lion foraging patterns indicates that the first mode of variability is alongshore and tied to sardine availability, while the second mode is cross-shore and associated with coastal upwelling intensity (a behavior consistent with male sea lion tracking data collected in 2004 vs. 2005). The results also illustrate how variability in environmental conditions and forage fish distribution affects sea lions feeding success. While specifically focusing on the foraging ecology of sea lions, our modeling framework has the ability to provide new and unique perspectives on trophic interactions in the California Current, or other regions where similar end-to-end ecosystem models may be implemented.

Hematocrit-Independent Quantitation of Stimulants in Dried Blood Spots: Pipet versus Microfluidic-Based Volumetric Sampling Coupled with Automated Flow-Through Desorption and Online Solid Phase Extraction-LC-MS/MS Bioanalysis.

PubMed

Verplaetse, Ruth; Henion, Jack

2016-07-05

A workflow overcoming microsample collection issues and hematocrit (HCT)-related bias would facilitate more widespread use of dried blood spots (DBS). This report describes comparative results between the use of a pipet and a microfluidic-based sampling device for the creation of volumetric DBS. Both approaches were successfully coupled to HCT-independent, fully automated sample preparation and online liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) analysis allowing detection of five stimulants in finger prick blood. Reproducible, selective, accurate, and precise responses meeting generally accepted regulated bioanalysis guidelines were observed over the range of 5-1000 ng/mL whole blood. The applied heated flow-through solvent desorption of the entire spot and online solid phase extraction (SPE) procedure were unaffected by the blood's HCT value within the tested range of 28.0-61.5% HCT. Enhanced stability for mephedrone on DBS compared to liquid whole blood was observed. Finger prick blood samples were collected using both volumetric sampling approaches over a time course of 25 h after intake of a single oral dose of phentermine. A pharmacokinetic curve for the incurred phentermine was successfully produced using the described validated method. These results suggest that either volumetric sample collection method may be amenable to field-use followed by fully automated, HCT-independent DBS-SPE-LC-MS/MS bioanalysis for the quantitation of these representative controlled substances. Analytical data from DBS prepared with a pipet and microfluidic-based sampling devices were comparable, but the latter is easier to operate, making this approach more suitable for sample collection by unskilled persons.

LIDT-DD: A New Self-Consistent Debris Disc Model Including Radiation Pressure and Coupling Dynamical and Collisional Evolution

NASA Astrophysics Data System (ADS)

Kral, Q.; Thebault, P.; Charnoz, S.

2014-01-01

The first attempt at developing a fully self-consistent code coupling dynamics and collisions to study debris discs (Kral et al. 2013) is presented. So far, these two crucial mechanisms were studied separately, with N-body and statistical collisional codes respectively, because of stringent computational constraints. We present a new model named LIDT-DD which is able to follow over long timescales the coupled evolution of dynamics (including radiation forces) and collisions in a self-consistent way.

Imaginary parts of coupled electron and phonon propagators

NASA Astrophysics Data System (ADS)

Schwartzman, K.; Lawrence, W. E.

1988-01-01

Quasiparticle and phonon damping rates due to the electron-phonon and Coulomb interactions are obtained directly from the self-energy formalism of strong-coupling theory. This accounts for all processes involving phonon or quasiparticle decay into a single particle-hole pair, or quasiparticle decay by emission or absorption of a single real phonon. The two quasiparticle decay modes are treated on a common footing, without ad hoc separation, by accounting fully for the dynamics of the phonon propagator and the Coulomb vertex-the latter by expansion of the four-point Coulomb vertex function. The results are shown to be expressible in terms of only the physical (i.e., fully renormalized) energies and coupling constants, and are written in terms of spectral functions such as α2F(ω) and its generalizations. Expansion of these in powers of a phonon linewidth parameter distinguishes (in lowest orders) between quasiparticle decay modes involving real and virtual phonons. However, the simplest prescription for calculating decay rates involves an effective scattering amplitude in which this distinction is not made.

Classical and sequential limit analysis revisited

NASA Astrophysics Data System (ADS)

Leblond, Jean-Baptiste; Kondo, Djimédo; Morin, Léo; Remmal, Almahdi

2018-04-01

Classical limit analysis applies to ideal plastic materials, and within a linearized geometrical framework implying small displacements and strains. Sequential limit analysis was proposed as a heuristic extension to materials exhibiting strain hardening, and within a fully general geometrical framework involving large displacements and strains. The purpose of this paper is to study and clearly state the precise conditions permitting such an extension. This is done by comparing the evolution equations of the full elastic-plastic problem, the equations of classical limit analysis, and those of sequential limit analysis. The main conclusion is that, whereas classical limit analysis applies to materials exhibiting elasticity - in the absence of hardening and within a linearized geometrical framework -, sequential limit analysis, to be applicable, strictly prohibits the presence of elasticity - although it tolerates strain hardening and large displacements and strains. For a given mechanical situation, the relevance of sequential limit analysis therefore essentially depends upon the importance of the elastic-plastic coupling in the specific case considered.

Diagnosing Air-Sea Interactions on Intraseasonal Timescales

NASA Astrophysics Data System (ADS)

DeMott, C. A.

2014-12-01

What is the role of ocean coupling in the Madden Julian Oscillation (MJO)? Consensus thinking holds that the essential physics of the MJO involve interactions between convection, atmospheric wave dynamics, and boundary layer and free troposphere moisture. However, many modeling studies demonstrate improved MJO simulation when an atmosphere-only general circulation model (AGCM) is coupled to an ocean model, so feedbacks from the ocean are probably not negligible. Assessing the importance and processes of these feedbacks is challenging for at least two reasons. First, observations of the MJO only sample the fully coupled ocean-atmosphere system; there is no "uncoupled" MJO in nature. Second, the practice of analyzing the MJO in uncoupled and coupled GCMs (CGCMs) involves using imperfect tools to study the problem. Although MJO simulation is improving in many models, shortcomings remain in both AGCMs and CGCMs, making it difficult to determine if changes brought about through coupling reflect critical air-sea interactions or are simply part of the collective idiosyncracies of a given model. For the atmosphere, ocean feedbacks from intraseasonal sea surface temperature (SST) variations are communicated through their effects on surface fluxes of heat and moisture. This presentation suggests a set of analysis tools for diagnosing the impact of an interactive ocean on surface latent and sensible heat fluxes, including their mean, variance, spectral characteristics, and phasing with respect to wind, SST, and MJO convection. The diagnostics are demonstrated with application to several CMIP5 models, and reveal a variety of responses to coupled ocean feedbacks.

The nature of the exchange coupling between high-spin Fe(III) heme o3 and CuBII in Escherichia coli quinol oxidase, cytochrome bo3: MCD and EPR studies.

PubMed

Cheesman, Myles R; Oganesyan, Vasily S; Watmough, Nicholas J; Butler, Clive S; Thomson, Andrew J

2004-04-07

Fully oxidized cytochrome bo3 from Escherichia coli has been studied in its oxidized and several ligand-bound forms using electron paramagnetic resonance (EPR) and magnetic circular dichroism (MCD) spectroscopies. In each form, the spin-coupled high-spin Fe(III) heme o3 and CuB(II) ion at the active site give rise to similar fast-relaxing broad features in the dual-mode X-band EPR spectra. Simulations of dual-mode spectra are presented which show that this EPR can arise only from a dinuclear site in which the metal ions are weakly coupled by an anisotropic exchange interaction of J 1 cm-1. A variable-temperature and magnetic field (VTVF) MCD study is also presented for the cytochrome bo3 fluoride and azide derivatives. New methods are used to extract the contribution to the MCD of the spin-coupled active site in the presence of strong transitions from low-spin Fe(III) heme b. Analysis of the MCD data, independent of the EPR study, also shows that the spin-coupling within the active site is weak with J approximately 1 cm-1. These conclusions overturn a long-held view that such EPR signals in bovine cytochrome c oxidase arise from an S' = 2 ground state resulting from strong exchange coupling (J > 10(2) cm-1) within the active site.

Magnetosphere - Ionosphere - Thermosphere (MIT) Coupling at Jupiter

NASA Astrophysics Data System (ADS)

Yates, J. N.; Ray, L. C.; Achilleos, N.

2017-12-01

Jupiter's upper atmospheric temperature is considerably higher than that predicted by Solar Extreme Ultraviolet (EUV) heating alone. Simulations incorporating magnetosphere-ionosphere coupling effects into general circulation models have, to date, struggled to reproduce the observed atmospheric temperatures under simplifying assumptions such as azimuthal symmetry and a spin-aligned dipole magnetic field. Here we present the development of a full three-dimensional thermosphere model coupled in both hemispheres to an axisymmetric magnetosphere model. This new coupled model is based on the two-dimensional MIT model presented in Yates et al., 2014. This coupled model is a critical step towards to the development of a fully coupled 3D MIT model. We discuss and compare the resulting thermospheric flows, energy balance and MI coupling currents to those presented in previous 2D MIT models.

An efficient, explicit finite-rate algorithm to compute flows in chemical nonequilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

An explicit finite-rate code was developed to compute hypersonic viscous chemically reacting flows about three-dimensional bodies. Equations describing the finite-rate chemical reactions were fully coupled to the gas dynamic equations using a new coupling technique. The new technique maintains stability in the explicit finite-rate formulation while permitting relatively large global time steps.

An Immersed Boundary Method for Solving the Compressible Navier-Stokes Equations with Fluid Structure Interaction

NASA Technical Reports Server (NTRS)

Brehm, Christoph; Barad, Michael F.; Kiris, Cetin C.

2016-01-01

An immersed boundary method for the compressible Navier-Stokes equation and the additional infrastructure that is needed to solve moving boundary problems and fully coupled fluid-structure interaction is described. All the methods described in this paper were implemented in NASA's LAVA solver framework. The underlying immersed boundary method is based on the locally stabilized immersed boundary method that was previously introduced by the authors. In the present paper this method is extended to account for all aspects that are involved for fluid structure interaction simulations, such as fast geometry queries and stencil computations, the treatment of freshly cleared cells, and the coupling of the computational fluid dynamics solver with a linear structural finite element method. The current approach is validated for moving boundary problems with prescribed body motion and fully coupled fluid structure interaction problems in 2D and 3D. As part of the validation procedure, results from the second AIAA aeroelastic prediction workshop are also presented. The current paper is regarded as a proof of concept study, while more advanced methods for fluid structure interaction are currently being investigated, such as geometric and material nonlinearities, and advanced coupling approaches.

Ensemble-Based Parameter Estimation in a Coupled General Circulation Model

DOE PAGES

Liu, Y.; Liu, Z.; Zhang, S.; ...

2014-09-10

Parameter estimation provides a potentially powerful approach to reduce model bias for complex climate models. Here, in a twin experiment framework, the authors perform the first parameter estimation in a fully coupled ocean–atmosphere general circulation model using an ensemble coupled data assimilation system facilitated with parameter estimation. The authors first perform single-parameter estimation and then multiple-parameter estimation. In the case of the single-parameter estimation, the error of the parameter [solar penetration depth (SPD)] is reduced by over 90% after ~40 years of assimilation of the conventional observations of monthly sea surface temperature (SST) and salinity (SSS). The results of multiple-parametermore » estimation are less reliable than those of single-parameter estimation when only the monthly SST and SSS are assimilated. Assimilating additional observations of atmospheric data of temperature and wind improves the reliability of multiple-parameter estimation. The errors of the parameters are reduced by 90% in ~8 years of assimilation. Finally, the improved parameters also improve the model climatology. With the optimized parameters, the bias of the climatology of SST is reduced by ~90%. Altogether, this study suggests the feasibility of ensemble-based parameter estimation in a fully coupled general circulation model.« less

CFD analysis of a twin scroll radial turbine

NASA Astrophysics Data System (ADS)

Fürst, Jiří; Žák, Zdenĕk

2018-06-01

The contribution deals with the application of coupled implicit solver for compressible flows to CFD analysis of a twin scroll radial turbine. The solver is based on the finite volume method, convective terms are approximated using AUSM+up scheme, viscous terms use central approximation and the time evolution is achieved with lower-upper symmetric Gauss-Seidel (LU-SGS) method. The solver allows steady simulation with the so called frozen rotor approach as well as the fully unsteady solution. Both approaches are at first validated for the case of ERCOFTAC pump [1]. Then the CFD analysis of the flow through a twin scroll radial turbine and the predictions of the efficiency and turbine power is performed and the results are compared to experimental data obtained in the framework of Josef Božek - Competence Centre for Automotive Industry.

Evaluation of zirconium dioxide-based sorbents to decrease the matrix effect in avocado and almond multiresidue pesticide analysis followed by gas chromatography tandem mass spectrometry.

PubMed

Lozano, Ana; Rajski, Łukasz; Uclés, Samanta; Belmonte-Valles, Noelia; Mezcua, Milagros; Fernández-Alba, Amadeo R

2014-01-01

Two sorbents containing ZrO₂ (Z-Sep and Z-Sep+) were tested as a d-SPE clean-up in combination with the QuEChERS and ethyl acetate multiresidue method in the pesticide residues extraction in avocado. All extracts were analysed using gas chromatography coupled with a triple quadrupole mass spectrometer working in multi-reaction monitoring mode. GC QToF was used to compare the amount of matrix compounds present in the final extracts, prepared according to different protocols. The highest number of pesticides with acceptable recoveries and the lowest amount of coextracted matrix compounds were provided by QuEChERS with Z-Sep. Subsequently, this method was fully validated in avocado and almonds. Validation studies were carried out according to DG Sanco guidelines including: the evaluation of recoveries at two levels (10 and 50 μg/kg), limit of quantitation, linearity, matrix effects, as well as interday and intraday precision. In avocado, 166 pesticides were fully validated compared to 119 in almonds. The method was operated satisfactorily in routine analysis and was applied to real samples. © 2013 Published by Elsevier B.V.

The political economy of noncompliance in China: The case of industrial energy policy

DOE PAGES

Van Aken, Tucker; Lewis, Orion A.

2015-03-18

One of the greatest challenges facing China today is the central government's ability to ensure that policies are implemented effectively at the local level, particularly policies that seek to make China's economic growth model more sustainable. These policies face resistance from local authorities and enterprises that benefit from the status quo. This raises a key research question: why do some provinces more fully implement these central policies? We argue the extent of local implementation is best conceptualized as a rational balance between economic and political incentives: localities with regulatory autonomy, low regulatory capacity and alternative interests will not fully implementmore » policies that are at odds with local economic imperatives. By examining a critical case of central policy implementation—industrial energy intensity reduction in the eleventh five-year plan—this article demonstrates that, regardless of industrial makeup or economic development, provinces that have greater regulatory autonomy for noncompliance coupled with alternative economic interests do not, on average, perform as well. As a result, using a nested analysis approach this study illustrates this argument with both quantitative analysis and original case study evidence from fieldwork interviews.« less

Demonstration of fully coupled simplified extended station black-out accident simulation with RELAP-7

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

Zhao, Haihua; Zhang, Hongbin; Zou, Ling

2014-10-01

The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The RELAP-7 code develop-ment effort started in October of 2011 and by the end of the second development year, a number of physical components with simplified two phase flow capability have been de-veloped to support the simplified boiling water reactor (BWR) extended station blackout (SBO) analyses. The demonstration case includes the major components for the primary system of a BWR, as well as the safety system components for the safety relief valve (SRV), the reactor core isolation cooling (RCIC)more » system, and the wet well. Three scenar-ios for the SBO simulations have been considered. Since RELAP-7 is not a severe acci-dent analysis code, the simulation stops when fuel clad temperature reaches damage point. Scenario I represents an extreme station blackout accident without any external cooling and cooling water injection. The system pressure is controlled by automatically releasing steam through SRVs. Scenario II includes the RCIC system but without SRV. The RCIC system is fully coupled with the reactor primary system and all the major components are dynamically simulated. The third scenario includes both the RCIC system and the SRV to provide a more realistic simulation. This paper will describe the major models and dis-cuss the results for the three scenarios. The RELAP-7 simulations for the three simplified SBO scenarios show the importance of dynamically simulating the SRVs, the RCIC sys-tem, and the wet well system to the reactor safety during extended SBO accidents.« less

Easy access to fully functionalized chiral tetrahydro-β-carboline alkaloids.

PubMed

Arai, Takayoshi; Wasai, Makiko; Yokoyama, Naota

2011-04-15

A four-step synthetic route to fully substituted chiral tetrahydro-β-carbolines (THBCs) is described. Starting from the (R,S,S)-Friedel-Crafts/Henry adduct obtained from three-component coupling of an indole, nitroalkene, and aldehyde catalyzed by imidazoline-aminophenol-CuOTf, the (1S,3S,4R)-THBCs were readily synthesized in a three-step operation including reduction of the nitro-functionality and Pictet-Spengler cyclization.

Fuel injection system and method of operating the same for an engine

DOEpatents

Topinka, Jennifer Ann [Niskayuna, NY; DeLancey, James Peter [Corinth, NY; Primus, Roy James [Niskayuna, NY; Pintgen, Florian Peter [Niskayuna, NY

2011-02-15

A fuel injector is coupled to an engine. The fuel injector includes an injection opening configured to vary in cross-section between a open state and a fully closed state. The fuel injector is configured to provide a plurality of discrete commanded fuel injections into an engine cylinder by modulating the size of the injection opening without completely closing the opening to the fully closed state.

Computational simulations of supersonic magnetohydrodynamic flow control, power and propulsion systems

NASA Astrophysics Data System (ADS)

Wan, Tian

This work is motivated by the lack of fully coupled computational tool that solves successfully the turbulent chemically reacting Navier-Stokes equation, the electron energy conservation equation and the electric current Poisson equation. In the present work, the abovementioned equations are solved in a fully coupled manner using fully implicit parallel GMRES methods. The system of Navier-Stokes equations are solved using a GMRES method with combined Schwarz and ILU(0) preconditioners. The electron energy equation and the electric current Poisson equation are solved using a GMRES method with combined SOR and Jacobi preconditioners. The fully coupled method has also been implemented successfully in an unstructured solver, US3D, and convergence test results were presented. This new method is shown two to five times faster than the original DPLR method. The Poisson solver is validated with analytic test problems. Then, four problems are selected; two of them are computed to explore the possibility of onboard MHD control and power generation, and the other two are simulation of experiments. First, the possibility of onboard reentry shock control by a magnetic field is explored. As part of a previous project, MHD power generation onboard a re-entry vehicle is also simulated. Then, the MHD acceleration experiments conducted at NASA Ames research center are simulated. Lastly, the MHD power generation experiments known as the HVEPS project are simulated. For code validation, the scramjet experiments at University of Queensland are simulated first. The generator section of the HVEPS test facility is computed then. The main conclusion is that the computational tool is accurate for different types of problems and flow conditions, and its accuracy and efficiency are necessary when the flow complexity increases.

Aerothermodynamic Design Sensitivities for a Reacting Gas Flow Solver on an Unstructured Mesh Using a Discrete Adjoint Formulation

NASA Astrophysics Data System (ADS)

Thompson, Kyle Bonner

An algorithm is described to efficiently compute aerothermodynamic design sensitivities using a decoupled variable set. In a conventional approach to computing design sensitivities for reacting flows, the species continuity equations are fully coupled to the conservation laws for momentum and energy. In this algorithm, the species continuity equations are solved separately from the mixture continuity, momentum, and total energy equations. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This decoupled approach for computing design sensitivities with the adjoint system is demonstrated for inviscid flow in chemical non-equilibrium around a re-entry vehicle with a retro-firing annular nozzle. The sensitivities of the surface temperature and mass flow rate through the nozzle plenum are computed with respect to plenum conditions and verified against sensitivities computed using a complex-variable finite-difference approach. The decoupled scheme significantly reduces the computational time and memory required to complete the optimization, making this an attractive method for high-fidelity design of hypersonic vehicles.

Fully-coupled aeroelastic simulation with fluid compressibility — For application to vocal fold vibration

PubMed Central

Yang, Jubiao; Wang, Xingshi; Krane, Michael; Zhang, Lucy T.

2017-01-01

In this study, a fully-coupled fluid–structure interaction model is developed for studying dynamic interactions between compressible fluid and aeroelastic structures. The technique is built based on the modified Immersed Finite Element Method (mIFEM), a robust numerical technique to simulate fluid–structure interactions that has capabilities to simulate high Reynolds number flows and handles large density disparities between the fluid and the solid. For accurate assessment of this intricate dynamic process between compressible fluid, such as air and aeroelastic structures, we included in the model the fluid compressibility in an isentropic process and a solid contact model. The accuracy of the compressible fluid solver is verified by examining acoustic wave propagations in a closed and an open duct, respectively. The fully-coupled fluid–structure interaction model is then used to simulate and analyze vocal folds vibrations using compressible air interacting with vocal folds that are represented as layered viscoelastic structures. Using physiological geometric and parametric setup, we are able to obtain a self-sustained vocal fold vibration with a constant inflow pressure. Parametric studies are also performed to study the effects of lung pressure and vocal fold tissue stiffness in vocal folds vibrations. All the case studies produce expected airflow behavior and a sustained vibration, which provide verification and confidence in our future studies of realistic acoustical studies of the phonation process. PMID:29527067

Block recursive LU preconditioners for the thermally coupled incompressible inductionless MHD problem

NASA Astrophysics Data System (ADS)

Badia, Santiago; Martín, Alberto F.; Planas, Ramon

2014-10-01

The thermally coupled incompressible inductionless magnetohydrodynamics (MHD) problem models the flow of an electrically charged fluid under the influence of an external electromagnetic field with thermal coupling. This system of partial differential equations is strongly coupled and highly nonlinear for real cases of interest. Therefore, fully implicit time integration schemes are very desirable in order to capture the different physical scales of the problem at hand. However, solving the multiphysics linear systems of equations resulting from such algorithms is a very challenging task which requires efficient and scalable preconditioners. In this work, a new family of recursive block LU preconditioners is designed and tested for solving the thermally coupled inductionless MHD equations. These preconditioners are obtained after splitting the fully coupled matrix into one-physics problems for every variable (velocity, pressure, current density, electric potential and temperature) that can be optimally solved, e.g., using preconditioned domain decomposition algorithms. The main idea is to arrange the original matrix into an (arbitrary) 2 × 2 block matrix, and consider an LU preconditioner obtained by approximating the corresponding Schur complement. For every one of the diagonal blocks in the LU preconditioner, if it involves more than one type of unknowns, we proceed the same way in a recursive fashion. This approach is stated in an abstract way, and can be straightforwardly applied to other multiphysics problems. Further, we precisely explain a flexible and general software design for the code implementation of this type of preconditioners.

The broadband rotational spectrum of fully deuterated acetaldehyde (CD 3CDO) in a CW supersonic expansion

DOE PAGES

Zaleski, Daniel P.; Duan, Chuanxi; Carvajal, Miguel; ...

2017-02-09

The broadband pure rotational spectra of CD 3CDO, 13CD 3CDO, CD 3 13CDO, and CD 3CD 18O have been recorded using a BrightSpec W-Band (75–110 GHz) chirped-pulse Fourier transform millimeter wave (CP-FTmmW) spectrometer. The sample was enriched with deuterium, whereas the 13C and 18O isotopologues were observed in natural abundance (with respect to the enriched fully deuterated parent containing 12C and 16O). The analysis of the spectra is described and the derived molecular constants are compared to those of known acetaldehyde isotopologues. Furthermore, we have demonstrated the ability to record rotational spectra in a steady-state “CW” supersonic expansion with amore » duty cycle of 80%. Finally, the advantages and limitations of the segmented chirp spectrometer coupled with a CW molecular source as well as design of the vacuum and pumping system are discussed.« less

Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit

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

Merzari, E.; Shemon, E. R.; Yu, Y. Q.

This report describes to employ SHARP to perform a first-of-a-kind analysis of the core radial expansion phenomenon in an SFR. This effort required significant advances in the framework Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit used to drive the coupled simulations, manipulate the mesh in response to the deformation of the geometry, and generate the necessary modified mesh files. Furthermore, the model geometry is fairly complex, and consistent mesh generation for the three physics modules required significant effort. Fully-integrated simulations of a 7-assembly mini-core test problem have been performed, and the results are presented here. Physics models ofmore » a full-core model of the Advanced Burner Test Reactor have also been developed for each of the three physics modules. Standalone results of each of the three physics modules for the ABTR are presented here, which provides a demonstration of the feasibility of the fully-integrated simulation.« less

The broadband rotational spectrum of fully deuterated acetaldehyde (CD 3CDO) in a CW supersonic expansion

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

Zaleski, Daniel P.; Duan, Chuanxi; Carvajal, Miguel

The broadband pure rotational spectra of CD 3CDO, 13CD 3CDO, CD 3 13CDO, and CD 3CD 18O have been recorded using a BrightSpec W-Band (75–110 GHz) chirped-pulse Fourier transform millimeter wave (CP-FTmmW) spectrometer. The sample was enriched with deuterium, whereas the 13C and 18O isotopologues were observed in natural abundance (with respect to the enriched fully deuterated parent containing 12C and 16O). The analysis of the spectra is described and the derived molecular constants are compared to those of known acetaldehyde isotopologues. Furthermore, we have demonstrated the ability to record rotational spectra in a steady-state “CW” supersonic expansion with amore » duty cycle of 80%. Finally, the advantages and limitations of the segmented chirp spectrometer coupled with a CW molecular source as well as design of the vacuum and pumping system are discussed.« less

Effects of curcumin and ursolic acid on the mitochondrial coupling efficiency and hydrogen peroxide emission of intact skeletal myoblasts.

PubMed

Tueller, Daniel J; Harley, Jackson S; Hancock, Chad R

2017-10-21

Curcumin may improve blood glucose management, but the mechanism is not fully established. We demonstrated that curcumin (40 μM) reduced the mitochondrial coupling efficiency (percentage of oxygen consumption coupled to ATP synthesis) of intact skeletal muscle cells. A 30-minute pretreatment with curcumin reduced mitochondrial coupling efficiency by 17.0 ± 0.4% relative to vehicle (p < 0.008). Curcumin pretreatment also decreased the rate of hydrogen peroxide emission by 43 ± 13% compared to vehicle (p < 0.05). Analysis of cell respiration in the presence of curcumin revealed a 40 ± 4% increase in the rate of oxygen consumption upon curcumin administration (p < 0.05 compared to vehicle). No difference in mitochondrial coupling efficiency was observed between vehicle- and curcumin-pretreated cells after permeabilization of cell membranes (p > 0.7). The interaction between curcumin and ursolic acid, another natural compound that may improve blood glucose management, was also examined. Pretreatment with ursolic acid (0.12 μM) increased the mitochondrial coupling efficiency of intact cells by 4.1 ± 1.1% relative to vehicle (p < 0.008) and attenuated the effect of curcumin when the two compounds were used in combination. The observed changes to mitochondrial coupling efficiency and hydrogen peroxide emission were consistent with the established effects of curcumin on blood glucose control. Our findings also show that changes to mitochondrial coupling efficiency after curcumin pretreatment may go undetected unless cells are assessed in the intact condition. Copyright © 2017 Elsevier Inc. All rights reserved.

An Inviscid Decoupled Method for the Roe FDS Scheme in the Reacting Gas Path of FUN3D

NASA Technical Reports Server (NTRS)

Thompson, Kyle B.; Gnoffo, Peter A.

2016-01-01

An approach is described to decouple the species continuity equations from the mixture continuity, momentum, and total energy equations for the Roe flux difference splitting scheme. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This work lays the foundation for development of an efficient adjoint solution procedure for high speed reacting flow.

Stochastically-forced Decadal Variability in Australian Rainfall

NASA Astrophysics Data System (ADS)

Taschetto, A.

2015-12-01

Iconic Australian dry and wet periods were driven by anomalous conditions in the tropical oceans, such as the worst short-term drought in the southeast in 1982 associated with the strong El Niño and the widespread "Big Wet" in 1974 linked with a La Niña event. The association with oceanic conditions makes droughts predictable to some extent. However, prediction can be difficult when there is no clear external forcing such as El Niños. Can dry spells be triggered and maintained with no ocean memory? In this study, we investigate the potential role of internal multi-century atmospheric variability in controlling the frequency, duration and intensity of long-term dry and wet spells over Australia. Two multi-century-scale simulations were performed with the NCAR CESM: (1) a fully-coupled simulation (CPLD) and (2) an atmospheric simulation forced by a seasonal SST climatology derived from the coupled experiment (ACGM). Results reveal that droughts and wet spells can indeed be generated by internal variability of the atmosphere. Those internally generated events are less severe than those forced by oceanic variability, however the duration of dry and wet spells longer than 3 years is comparable with and without the ocean memory. Large-scale ocean modes of variability seem to play an important role in producing continental-scale rainfall impacts over Australia. While the Pacific Decadal Oscillation plays an important role in generating droughts in the fully coupled model, perturbations of monsoonal winds seem to be the main trigger of dry spells in the AGCM case. Droughts in the mid-latitude regions such as Tasmania can be driven by perturbations in the Southern Annular Mode, not necessarily linked to oceanic conditions even in the fully-coupled model. The mechanisms behind internally-driven mega-droughts and mega-wets will be discussed.

The chemical behavior of acidified chromium (3) solutions. B.S. Thesis

NASA Technical Reports Server (NTRS)

Terman, D. K.

1981-01-01

A unique energy-storage system has been developed at NASA's Lewis Research Center called REDOX. This NASA-REDOX system is an electrochemical storage device that utilized the oxidation and reduction of two fully soluble redox couples for charging and discharging. The redox couples now being investigated are acidified chloride solutions of chromium (Cr(+2)/Cr(+3)) and iron (Fe(+2)/Fe(+3)).

Micromechanical Prediction of the Effective Behavior of Fully Coupled Electro-Magneto-Thermo-Elastic Multiphase Composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

2000-01-01

The micromechanical generalized method of cells model is employed for the prediction of the effective moduli of electro-magneto-thermo-elastic composites. These include the effective elastic, piezoelectric, piezomagnetic, dielectric, magnetic permeability, electromagnetic coupling moduli, as well as the effective thermal expansion coefficients and the associated pyroelectric and pyromagnetic constants. Results are given for fibrous and periodically bilaminated composites.

On coupling fluid plasma and kinetic neutral physics models

DOE PAGES

Joseph, I.; Rensink, M. E.; Stotler, D. P.; ...

2017-03-01

The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that theymore » scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.« less

Advancements in vibroacoustic evaluation of satellite structures

NASA Astrophysics Data System (ADS)

Stavrinidis, C.; Witting, M.; Ikoss, S. I.; Klein, M.

2001-02-01

The importance of the launcher vibroacoustic environment is increasing with respect to satellite loads due to the increase in size and decrease in surface mass of lightweight appendages like antennas and solar arrays. The loads generated by the vibroacoustic environment need to be covered adequately to ensure satellite structural integrity. This is of particular importance in the low-frequency range where the low frequencies of light appendages and equipment couple with the acoustic environment. In order to cope with the increasing demand for prediction of structural loads due to the acoustic environment, various methods have been developed in the frame of ESA research and development activities. These range from simplified approaches with partial fluid-structure coupling, e.g. the POSTAR package provided by INTESPACE (France) to more sophisticated approaches with full fluid-structure coupling. In the frequency domain this includes pure finite element modelling techniques, where specific tools have been developed by FFA (Sweden) using the ASKA package, as well as coupled finite element—boundary element approaches that have been developed in cooperation with DASA-Dornier (Germany), STRACO (France) and FFA using the commercial packages ASKA and RAYON. For fully coupled fluid structure analysis in the time domain the ASTRYD code from METRAVIB (France) is employed where advancements have been supported by CNES. Applications of these tools range from simple benchmarks such as simply supported plates, cavity enclosures or generic satellite-fairing models to complex satellite structure configurations. Evaluations of antenna reflector structures (Artemis communication antenna) and satellite equipment panels (polar platform) are presented. The paper covers also the investigation of payload/fairing effects (influence of fairing helium purging on the coupled-system response) together with DASA-Dornier, FFA and STRACO, as well as the vibroacoustic analysis of solar array stacks carried out by FOKKER (The Netherlands) and METRAVIB, where the air effects in the inter panel gaps are being taken into account.

Reinventing atomic magnetic simulations with spin-orbit coupling

DOE PAGES

Perera, Meewanage Dilina N.; Eisenbach, Markus; Nicholson, Don M.; ...

2016-02-10

We propose a powerful extension to the combined molecular and spin dynamics method that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Moreover, the foundation of this method lies in the inclusion of the local magnetic anisotropies that arise as a consequence of the lattice symmetry breaking due to phonons or crystallographic defects. By using canonical simulations of bcc iron with the system coupled to a phonon heat bath, we show that our extension enables the previously unachievable angular momentum exchange between the atomic and spin degrees of freedom.

Expandable tubulars for use in geologic structures

DOEpatents

Spray, Jeffery A.; Svedeman, Steven; Walter, David; Mckeighan, Peter; Siebanaler, Shane; Dewhurst, Peter; Hobson, Steven; Foss, Doug; Wirz, Holger; Sharpe, Aaron; Apostal, Michael

2014-08-12

An expandable tubular includes a plurality of leaves formed from sheet material that have curved surfaces. The leaves extend around a portion or fully around the diameter of the tubular structure. Some of the adjacent leaves of the tubular are coupled together. The tubular is compressed to a smaller diameter so that it can be inserted through previously deployed tubular assemblies. Once the tubular is properly positioned, it is deployed and coupled or not coupled to a previously deployed tubular assembly. The tubular is useful for all types of wells and boreholes.

Dynamic load-sharing characteristic analysis of face gear power-split gear system based on tooth contact characteristics

NASA Astrophysics Data System (ADS)

Dong, Hao; Hu, Yahui

2018-04-01

The bend-torsion coupling dynamics load-sharing model of the helicopter face gear split torque transmission system is established by using concentrated quality standard, to analyzing the dynamic load-sharing characteristic. The mathematical models include nonlinear support stiffness, time-varying meshing stiffness, damping, gear backlash. The results showed that the errors collectively influenced the load sharing characteristics, only reduce a certain error, it is never fully reached the perfect loading sharing characteristics. The system load-sharing performance can be improved through floating shaft support. The above-method will provide a theoretical basis and data support for its dynamic performance optimization design.

Coherent virtual absorption for discretized light

NASA Astrophysics Data System (ADS)

Longhi, S.

2018-05-01

Coherent virtual absorption (CVA) is a recently-introduced phenomenon for which exponentially growing waves incident onto a conservative optical medium are neither reflected nor transmitted, at least transiently. CVA has been associated to complex zeros of the scattering matrix and can be regarded as the time reversal of the decay process of a quasi-mode sustained by the optical medium. Here we consider CVA for discretized light transport in coupled resonator optical waveguides or waveguide arrays and show that a distinct kind of CVA, which is not related to complex zero excitation of quasi-modes, can be observed. This result suggests that scattering matrix analysis can not fully capture CVA phenomena.

Precise Heat Control: What Every Scientist Needs to Know About Pyrolytic Techniques to Solve Real Problems

NASA Technical Reports Server (NTRS)

Devivar, Rodrigo

2014-01-01

The performance of a material is greatly influenced by its thermal and chemical properties. Analytical pyrolysis, when coupled to a GC-MS system, is a powerful technique that can unlock the thermal and chemical properties of almost any substance and provide vital information. At NASA, we depend on precise thermal analysis instrumentation for understanding aerospace travel. Our analytical techniques allow us to test materials in the laboratory prior to an actual field test; whether the field test is miles up in the sky or miles underground, the properties of any involved material must be fully studied and understood in the laboratory.

Ma_Miss Experiment: miniaturized imaging spectrometer for subsurface studies

NASA Astrophysics Data System (ADS)

Coradini, A.; Ammannito, E.; Boccaccini, A.; de Sanctis, M. C.; di Iorio, T.; Battistelli, E.; Capanni, A.

2011-10-01

The study of the Martian subsurface will provide important constraints on the nature, timing and duration of alteration and sedimentation processes on Mars, as well as on the complex interactions between the surface and the atmosphere. A Drilling system, coupled with an in situ analysis package, is installed on the Exomars-Pasteur Rover to perform in situ investigations up to 2m in the Mars soil. Ma_Miss (Mars Multispectral Imager for Subsurface Studies) is a spectrometer devoted to observe the lateral wall of the borehole generated by the Drilling system. The instrument is fully integrated with the Drill and shares its structure and electronics.

Analysis of projected water availability with current basin management plan, Pajaro Valley, California

NASA Astrophysics Data System (ADS)

Hanson, R. T.; Lockwood, B.; Schmid, Wolfgang

2014-11-01

The projection and analysis of the Pajaro Valley Hydrologic Model (PVHM) 34 years into the future using MODFLOW with the Farm Process (MF-FMP) facilitates assessment of potential future water availability. The projection is facilitated by the integrated hydrologic model, MF-FMP that fully couples the simulation of the use and movement of water from precipitation, streamflow, runoff, groundwater flow, and consumption by natural and agricultural vegetation throughout the hydrologic system at all times. MF-FMP allows for more complete analysis of conjunctive-use water-resource systems than previously possible with MODFLOW by combining relevant aspects of the landscape with the groundwater and surface-water components. This analysis is accomplished using distributed cell-by-cell supply-constrained and demand-driven components across the landscape within ;water-balance subregions; (WBS) comprised of one or more model cells that can represent a single farm, a group of farms, watersheds, or other hydrologic or geopolitical entities. Analysis of conjunctive use would be difficult without embedding the fully coupled supply-and-demand into a fully coupled simulation, and are difficult to estimate a priori. The analysis of projected supply and demand for the Pajaro Valley indicate that the current water supply facilities constructed to provide alternative local sources of supplemental water to replace coastal groundwater pumpage, but may not completely eliminate additional overdraft. The simulation of the coastal distribution system (CDS) replicates: 20 miles of conveyance pipeline, managed aquifer recharge and recovery (MARR) system that captures local runoff, and recycled-water treatment facility (RWF) from urban wastewater, along with the use of other blend water supplies, provide partial relief and substitution for coastal pumpage (aka in-lieu recharge). The effects of these Basin Management Plan (BMP) projects were analyzed subject to historical climate variations and assumptions of 2009 urban water demand and land use. Water supplied directly from precipitation, and indirectly from reuse, captured local runoff, and groundwater is necessary but inadequate to satisfy agricultural demand without coastal and regional storage depletion that facilitates seawater intrusion. These facilities reduce potential seawater intrusion by about 45% with groundwater levels in the four regions served by the CDS projected to recover to levels a few feet above sea level. The projected recoveries are not high enough to prevent additional seawater intrusion during dry-year periods or in the deeper aquifers where pumpage is greater. While these facilities could reduce coastal pumpage by about 55% of the historical 2000-2009 pumpage for these regions, and some of the water is delivered in excess of demand, other coastal regions continue to create demands on coastal pumpage that will need to be replaced to reduce seawater intrusion. In addition, inland urban and agricultural demands continue to sustain water levels below sea level causing regional landward gradients that also drive seawater intrusion. Seawater intrusion is reduced by about 45% but it supplies about 55% of the recovery of groundwater levels in the coastal regions served by the CDS. If economically feasible, water from summer agricultural runoff and tile-drain returnflows could be another potential local source of water that, if captured and reused, could offset the imbalance between supply and demand as well as reducing discharge of agricultural runoff into the National Marine Sanctuary of Monterey Bay. A BMP update (2012) identifies projects and programs that will fund a conservation program and will provide additional, alternative water sources to reduce or replace coastal and inland pumpage, and to replenish the aquifers with managed aquifer recharge in an inland portion of the Pajaro Valley.

Molecular Analyzer for Complex Refractory Organic-Rich Surfaces (MACROS)

NASA Technical Reports Server (NTRS)

Getty, Stephanie A.; Cook, Jamie E.; Balvin, Manuel; Brinckerhoff, William B.; Li, Xiang; Grubisic, Andrej; Cornish, Timothy; Ferrance, Jerome; Southard, Adrian

2017-01-01

The Molecular Analyzer for Complex Refractory Organic-rich Surfaces, MACROS, is a novel instrument package being developed at NASA Goddard Space Flight Center. MACROS enables the in situ characterization of a sample's composition by coupling two powerful techniques into one compact instrument package: (1) laser desorption/ionization time-of-flight mass spectrometry (LDMS) for broad detection of inorganic mineral composition and non-volatile organics, and (2) liquid-phase extraction methods to gently isolate the soluble organic and inorganic fraction of a planetary powder for enrichment and detailed analysis by liquid chromatographic separation coupled to LDMS. The LDMS is capable of positive and negative ion detection, precision mass selection, and fragment analysis. Two modes are included for LDMS: single laser LDMS as the broad survey mode and two step laser mass spectrometry (L2MS). The liquid-phase extraction will be done in a newly designed extraction module (EM) prototype, providing selectivity in the analysis of a complex sample. For the sample collection, a diamond drill front end will be used to collect rock/icy powder. With all these components and capabilities together, MACROS offers a versatile analytical instrument for a mission targeting an icy moon, carbonaceous asteroid, or comet, to fully characterize the surface composition and advance our understanding of the chemical inventory present on that body.

Evaluation of three methods of different levels of complexity to represent the interactions between the Greenland ice sheet and the atmosphere at the century time scale.

NASA Astrophysics Data System (ADS)

Le clec'h, Sébastien; Fettweis, Xavier; Quiquet, Aurelien; Dumas, Christophe; Kageyama, Masa; Charbit, Sylvie; Ritz, Catherine

2017-04-01

Based on numerous studies showing implications of polar ice sheets on the climate system, the climate community recommended the development of methods to account for feedbacks between polar ice sheets and the other climate components. In this study we used three methods of different levels of complexity to represent the interactions between a Greenland ice sheet model (GRISLI) and a regional atmospheric model (MAR) under the RCP8.5 scenario. The simplest method, i.e. uncoupled, does not account for interactions between both models. In this method MAR computes varying atmospheric conditions using the same present-day observed Greenland ice sheet topography and extent. The outputs are then used to force GRISLI. The second method is a one-way coupling method in which the MAR outputs are corrected to account for topography changes before their transfer to GRISLI. The third method is a fully coupled method allowing the full representation of interactions between MAR and GRISLI. In this case, the ice sheet topography and its extent as seen by the atmospheric model is updated for each ice sheet model time step. The three methods are evaluated regarding the Greenland ice sheet response from 2000 to 2150. As expected, the uncoupled method shows a coastal thinning of the ice sheet due to a decreasing surface mass balance for coastal regions related to increased mean surface temperature. The one-way coupling and the full coupling methods tend to amplify the surface mass balance due to surface elevation feedback. The uncoupled method tends to underestimate the Greenland ice sheet volume reduction compared to both coupling methods over 150 years. This underestimation is of the same order of magnitude of the ice loss from the Greenland peripheral glaciers at the end of the 21st century. As for the uncoupled method, the thinning of the ice sheet occurs in coastal regions for both coupling methods. However compared to the one-way coupling method, the fully coupled method tends to increase the spatial variability of the surface mass balance changes through time. Our results also indicate that differences between the two coupling methods increase with time, which suggests that the choice of the method should depend on the timescale considered. Beyond century scale projections the fully coupled method is necessary in order to avoid underestimation of the ice sheet volume reduction, whilst the one-way method seems to be sufficient to represent the interactions between the atmosphere and the GrIS for projections by the end of the century.

Local control on precipitation in a fully coupled climate-hydrology model.

PubMed

Larsen, Morten A D; Christensen, Jens H; Drews, Martin; Butts, Michael B; Refsgaard, Jens C

2016-03-10

The ability to simulate regional precipitation realistically by climate models is essential to understand and adapt to climate change. Due to the complexity of associated processes, particularly at unresolved temporal and spatial scales this continues to be a major challenge. As a result, climate simulations of precipitation often exhibit substantial biases that affect the reliability of future projections. Here we demonstrate how a regional climate model (RCM) coupled to a distributed hydrological catchment model that fully integrates water and energy fluxes between the subsurface, land surface, plant cover and the atmosphere, enables a realistic representation of local precipitation. Substantial improvements in simulated precipitation dynamics on seasonal and longer time scales is seen for a simulation period of six years and can be attributed to a more complete treatment of hydrological sub-surface processes including groundwater and moisture feedback. A high degree of local influence on the atmosphere suggests that coupled climate-hydrology models have a potential for improving climate projections and the results further indicate a diminished need for bias correction in climate-hydrology impact studies.

Local control on precipitation in a fully coupled climate-hydrology model

PubMed Central

Larsen, Morten A. D.; Christensen, Jens H.; Drews, Martin; Butts, Michael B.; Refsgaard, Jens C.

2016-01-01

The ability to simulate regional precipitation realistically by climate models is essential to understand and adapt to climate change. Due to the complexity of associated processes, particularly at unresolved temporal and spatial scales this continues to be a major challenge. As a result, climate simulations of precipitation often exhibit substantial biases that affect the reliability of future projections. Here we demonstrate how a regional climate model (RCM) coupled to a distributed hydrological catchment model that fully integrates water and energy fluxes between the subsurface, land surface, plant cover and the atmosphere, enables a realistic representation of local precipitation. Substantial improvements in simulated precipitation dynamics on seasonal and longer time scales is seen for a simulation period of six years and can be attributed to a more complete treatment of hydrological sub-surface processes including groundwater and moisture feedback. A high degree of local influence on the atmosphere suggests that coupled climate-hydrology models have a potential for improving climate projections and the results further indicate a diminished need for bias correction in climate-hydrology impact studies. PMID:26960564

Fully coupled methods for multiphase morphodynamics

NASA Astrophysics Data System (ADS)

Michoski, C.; Dawson, C.; Mirabito, C.; Kubatko, E. J.; Wirasaet, D.; Westerink, J. J.

2013-09-01

We present numerical methods for a system of equations consisting of the two dimensional Saint-Venant shallow water equations (SWEs) fully coupled to a completely generalized Exner formulation of hydrodynamically driven sediment discharge. This formulation is implemented by way of a discontinuous Galerkin (DG) finite element method, using a Roe Flux for the advective components and the unified form for the dissipative components. We implement a number of Runge-Kutta time integrators, including a family of strong stability preserving (SSP) schemes, and Runge-Kutta Chebyshev (RKC) methods. A brief discussion is provided regarding implementational details for generalizable computer algebra tokenization using arbitrary algebraic fluxes. We then run numerical experiments to show standard convergence rates, and discuss important mathematical and numerical nuances that arise due to prominent features in the coupled system, such as the emergence of nondifferentiable and sharp zero crossing functions, radii of convergence in manufactured solutions, and nonconservative product (NCP) formalisms. Finally we present a challenging application model concerning hydrothermal venting across metalliferous muds in the presence of chemical reactions occurring in low pH environments.

Implementation of a transcutaneous charger for fully implantable middle ear hearing device.

PubMed

Lim, H; Yoon, Y; Lee, C; Park, I; Song, B; Cho, J

2005-01-01

A transcutaneous charger for the fully implantable middle ear hearing device (F-IMEHD), which can monitor the charging level of battery, has been designed and implemented. In order to recharge the battery of F-IMEHD, the electromagnetic coupling between primary coil at outer body and secondary coil at inner body has been used. Considering the implant condition of the F-IMEHD, the primary coil and the secondary coil have been designed. Using the resonance of LC tank circuit at each coil, transmission efficiency was increased. Since the primary and the secondary coil are magnetically coupled, the current variation of the primary coil is related with the impedance of internal resonant circuit. Using the principle mentioned above, the implanted module could transmit outward the information about charging state of battery or coupling between two coils by the changing internal impedance. As in the demonstrated results of experiment, the implemented charger has supplied the sufficient operating voltage for the implanted battery within about 10 mm distance. And also, it has been confirmed that the implanted module can transmit information outward by control of internal impedance.

Application of viscous-inviscid interaction methods to transonic turbulent flows

NASA Technical Reports Server (NTRS)

Lee, D.; Pletcher, R. H.

1986-01-01

Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

Electroosmosis over charge-modulated surfaces with finite electrical double layer thicknesses: Asymptotic and numerical investigations

NASA Astrophysics Data System (ADS)

Ghosh, Uddipta; Mandal, Shubhadeep; Chakraborty, Suman

2017-06-01

Here we attempt to solve the fully coupled Poisson-Nernst-Planck-Navier-Stokes equations, to ascertain the influence of finite electric double layer (EDL) thickness on coupled charge and fluid dynamics over patterned charged surfaces. We go beyond the well-studied "weak-field" limit and obtain numerical solutions for a wide range of EDL thicknesses, applied electric field strengths, and the surface potentials. Asymptotic solutions to the coupled system are also derived using a combination of singular and regular perturbation, for thin EDLs and low surface potential, and good agreement between the two solutions is observed. Counterintuitively to common arguments, our analysis reveals that finite EDL thickness may either increase or decrease the "free-stream velocity" (equivalent to net throughput), depending on the strength of the applied electric field. We also unveil a critical EDL thickness for which the effect of finite EDL thickness on the free-stream velocity is the most prominent. Finally, we demonstrate that increasing the surface potential and the applied field tends to influence the overall flow patterns in the contrasting manners. These results may be of profound importance in developing a comprehensive theoretical basis for designing electro-osmotically actuated microfluidic mixtures.

Analysis and Optimization of Four-Coil Planar Magnetically Coupled Printed Spiral Resonators.

PubMed

Khan, Sadeque Reza; Choi, GoangSeog

2016-08-03

High-efficiency power transfer at a long distance can be efficiently established using resonance-based wireless techniques. In contrast to the conventional two-coil-based inductive links, this paper presents a magnetically coupled fully planar four-coil printed spiral resonator-based wireless power-transfer system that compensates the adverse effect of low coupling and improves efficiency by using high quality-factor coils. A conformal architecture is adopted to reduce the transmitter and receiver sizes. Both square architecture and circular architectures are analyzed and optimized to provide maximum efficiency at a certain operating distance. Furthermore, their performance is compared on the basis of the power-transfer efficiency and power delivered to the load. Square resonators can produce higher measured power-transfer efficiency (79.8%) than circular resonators (78.43%) when the distance between the transmitter and receiver coils is 10 mm of air medium at a resonant frequency of 13.56 MHz. On the other hand, circular coils can deliver higher power (443.5 mW) to the load than the square coils (396 mW) under the same medium properties. The performance of the proposed structures is investigated by simulation using a three-layer human-tissue medium and by experimentation.

The Effects of the Organic-Inorganic Interactions on the Thermal Transport Properties of CH3NH3PbI3.

PubMed

Hata, Tomoyuki; Giorgi, Giacomo; Yamashita, Koichi

2016-04-13

Methylammonium lead iodide perovskite (CH3NH3PbI3), the most investigated hybrid organic-inorganic halide perovskite, is characterized by a quite low thermal conductivity. The rotational motion of methylammonium cations is considered responsible for phonon transport suppression; however, to date, the specific mechanism of the process has not been clarified. In this study, we elucidate the role of rotations in thermal properties based on molecular dynamics simulations. To do it, we developed an empirical potential for CH3NH3PbI3 by fitting to ab initio calculations and evaluated its thermal conductivity by means of nonequilibrium molecular dynamics. Results are compared with model systems that include different embedded cations, and this comparison shows a dominant suppression effect provided by rotational motions. We also checked the temperature dependence of the vibrational density of states and specified the energy range in which anharmonic couplings occur. By means of phonon dispersion analysis, we were able to fully elucidate the suppression mechanism: the rotations are coupled with translational motions of cations, via which inorganic lattice vibrations are coupled and scatter each other.

Long-read sequencing of nascent RNA reveals coupling among RNA processing events.

PubMed

Herzel, Lydia; Straube, Korinna; Neugebauer, Karla M

2018-06-14

Pre-mRNA splicing is accomplished by the spliceosome, a megadalton complex that assembles de novo on each intron. Because spliceosome assembly and catalysis occur cotranscriptionally, we hypothesized that introns are removed in the order of their transcription in genomes dominated by constitutive splicing. Remarkably little is known about splicing order and the regulatory potential of nascent transcript remodeling by splicing, due to the limitations of existing methods that focus on analysis of mature splicing products (mRNAs) rather than substrates and intermediates. Here, we overcome this obstacle through long-read RNA sequencing of nascent, multi-intron transcripts in the fission yeast Schizosaccharomyces pombe Most multi-intron transcripts were fully spliced, consistent with rapid cotranscriptional splicing. However, an unexpectedly high proportion of transcripts were either fully spliced or fully unspliced, suggesting that splicing of any given intron is dependent on the splicing status of other introns in the transcript. Supporting this, mild inhibition of splicing by a temperature-sensitive mutation in prp2 , the homolog of vertebrate U2AF65, increased the frequency of fully unspliced transcripts. Importantly, fully unspliced transcripts displayed transcriptional read-through at the polyA site and were degraded cotranscriptionally by the nuclear exosome. Finally, we show that cellular mRNA levels were reduced in genes with a high number of unspliced nascent transcripts during caffeine treatment, showing regulatory significance of cotranscriptional splicing. Therefore, overall splicing of individual nascent transcripts, 3' end formation, and mRNA half-life depend on the splicing status of neighboring introns, suggesting crosstalk among spliceosomes and the polyA cleavage machinery during transcription elongation. © 2018 Herzel et al.; Published by Cold Spring Harbor Laboratory Press.

Recent developments of ion beam induced luminescence at the external scanning microbeam facility of the LABEC laboratory in Florence

NASA Astrophysics Data System (ADS)

Colombo, E.; Calusi, S.; Cossio, R.; Giuntini, L.; Giudice, A. Lo; Mandò, P. A.; Manfredotti, C.; Massi, M.; Mirto, F. A.; Vittone, E.

2008-04-01

A new ionoluminescence (IL) apparatus has been successfully installed at the external scanning microbeam facility of the 3 MV Tandetron accelerator of the INFN LABEC in Firenze; the apparatus for photon detection has been fully integrated in the existing ion beam analysis (IBA) set-up, for the simultaneous acquisition of IL and PIXE/PIGE/BS spectra and maps. The potential of the new set-up is illustrated in this paper by some results extracted by the analysis of art objects and advanced semiconductor materials. In particular, the adequacy of the new IBA set-up in the field of cultural heritage is pointed out by the coupled PIXE/IL micro-analysis of a lapis lazuli stone; concerning applications in material science, IL spectra from a N doped diamond sample were acquired and compared with CL analyses to evaluate the relevant sensitivities and the effect of ion damage.

A Parametric Computational Analysis into Galvanic Coupling Intrabody Communication.

PubMed

Callejon, M Amparo; Del Campo, P; Reina-Tosina, Javier; Roa, Laura M

2017-08-02

Intrabody Communication (IBC) uses the human body tissues as transmission media for electrical signals to interconnect personal health devices in wireless body area networks. The main goal of this work is to conduct a computational analysis covering some bioelectric issues that still have not been fully explained, such as the modeling of the skin-electrode impedance, the differences associated to the use of constant voltage or current excitation modes, or the influence on attenuation of the subject's anthropometrical and bioelectric properties. With this aim, a computational finite element model has been developed, allowing the IBC channel attenuation as well as the electric field and current density through arm tissues to be computed as a function of these parameters. As a conclusion, this parametric analysis has in turn permitted us to disclose some knowledge about the causes and effects of the above-mentioned issues, thus explaining and complementing previous results reported in the literature.

New technologies for the detection of millimeter and submillimeter waves

NASA Technical Reports Server (NTRS)

Richards, P. L.; Clarke, J.; Gildemeister, J. M.; Lanting, T.; Lee, A. T.

2001-01-01

Voltage-biased superconducting bolometers have many operational advantages over conventional bolometer technology including sensitivity, linearity, speed, and immunity from environmental disturbance. A review is given of the Berkeley program for developing this new technology. Developments include fully lithographed individual bolometers in the spiderweb configuration, arrays of 1024 close-packed absorber-coupled bolometers, antenna-coupled bolometers, and a frequency-domain SQUID (superconducting quantum interference device) readout multiplexer.

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

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

Mai, Sebastian; Marquetand, Philipp; González, Leticia

2014-08-21

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbitmore » coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.« less

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

Mixed reality framework for collective motion patterns of swarms with delay coupling

NASA Astrophysics Data System (ADS)

Szwaykowska, Klementyna; Schwartz, Ira

The formation of coherent patterns in swarms of interacting self-propelled autonomous agents is an important subject for many applications within the field of distributed robotic systems. However, there are significant logistical challenges associated with testing fully distributed systems in real-world settings. In this paper, we provide a rigorous theoretical justification for the use of mixed-reality experiments as a stepping stone to fully physical testing of distributed robotic systems. We also model and experimentally realize a mixed-reality large-scale swarm of delay-coupled agents. Our analyses, assuming agents communicating over an Erdos-Renyi network, demonstrate the existence of stable coherent patterns that can be achieved only with delay coupling and that are robust to decreasing network connectivity and heterogeneity in agent dynamics. We show how the bifurcation structure for emergence of different patterns changes with heterogeneity in agent acceleration capabilities and limited connectivity in the network as a function of coupling strength and delay. Our results are verified through simulation as well as preliminary experimental results of delay-induced pattern formation in a mixed-reality swarm. K. S. was a National Research Council postdoctoral fellow. I.B.S was supported by the U.S. Naval Research Laboratory funding (N0001414WX00023) and office of Naval Research (N0001414WX20610).

Novel spot size converter for coupling standard single mode fibers to SOI waveguides

NASA Astrophysics Data System (ADS)

Sisto, Marco Michele; Fisette, Bruno; Paultre, Jacques-Edmond; Paquet, Alex; Desroches, Yan

2016-03-01

We have designed and numerically simulated a novel spot size converter for coupling standard single mode fibers with 10.4μm mode field diameter to 500nm × 220nm SOI waveguides. Simulations based on the eigenmode expansion method show a coupling loss of 0.4dB at 1550nm for the TE mode at perfect alignment. The alignment tolerance on the plane normal to the fiber axis is evaluated at +/-2.2μm for <=1dB excess loss, which is comparable to the alignment tolerance between two butt-coupled standard single mode fibers. The converter is based on a cross-like arrangement of SiOxNy waveguides immersed in a 12μm-thick SiO2 cladding region deposited on top of the SOI chip. The waveguides are designed to collectively support a single degenerate mode for TE and TM polarizations. This guided mode features a large overlap to the LP01 mode of standard telecom fibers. Along the spot size converter length (450μm), the mode is first gradually confined in a single SiOxNy waveguide by tapering its width. Then, the mode is adiabatically coupled to a SOI waveguide underneath the structure through a SOI inverted taper. The shapes of SiOxNy and SOI tapers are optimized to minimize coupling loss and structure length, and to ensure adiabatic mode evolution along the structure, thus improving the design robustness to fabrication process errors. A tolerance analysis based on conservative microfabrication capabilities suggests that coupling loss penalty from fabrication errors can be maintained below 0.3dB. The proposed spot size converter is fully compliant to industry standard microfabrication processes available at INO.

MOOSE: A PARALLEL COMPUTATIONAL FRAMEWORK FOR COUPLED SYSTEMS OF NONLINEAR EQUATIONS.

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

G. Hansen; C. Newman; D. Gaston

Systems of coupled, nonlinear partial di?erential equations often arise in sim- ulation of nuclear processes. MOOSE: Multiphysics Ob ject Oriented Simulation Environment, a parallel computational framework targeted at solving these systems is presented. As opposed to traditional data / ?ow oriented com- putational frameworks, MOOSE is instead founded on mathematics based on Jacobian-free Newton Krylov (JFNK). Utilizing the mathematical structure present in JFNK, physics are modularized into “Kernels” allowing for rapid production of new simulation tools. In addition, systems are solved fully cou- pled and fully implicit employing physics based preconditioning allowing for a large amount of ?exibility even withmore » large variance in time scales. Background on the mathematics, an inspection of the structure of MOOSE and several rep- resentative solutions from applications built on the framework are presented.« less

A phase field approach for the fully coupled thermo-electro-mechanical dynamics of nanoscale ferroelectric actuators

NASA Astrophysics Data System (ADS)

Wang, Dan; Du, Haoyuan; Wang, Linxiang; Melnik, Roderick

2018-05-01

The fully coupled thermo-electro-mechanical properties of nanoscale ferroelectric actuators are investigated by a phase field model. Firstly, the thermal effect is incorporated into the commonly-used phase field model for ferroelectric materials in a thermodynamic consistent way and the governing equation for the temperature field is derived. Afterwards, the modified model is numerically implemented to study a selected prototype of the ferroelectric actuators, where strain associated with electric field-induced non-180° domain switching is employed. The temperature variation and energy flow in the actuation process are presented, which enhances our understanding of the working mechanism of the actuators. Furthermore, the influences of the input voltage frequency and the thermal boundary condition on the temperature variation are demonstrated and carefully discussed in the context of thermal management for real applications.

Dynamic Hydrological Discharge Modelling for Fully Coupled Paleoclimate Runs of the Last Glacial Cycle

NASA Astrophysics Data System (ADS)

Riddick, Thomas; Brovkin, Victor; Hagemann, Stefan; Mikolajewicz, Uwe

2017-04-01

The continually evolving large ice sheets present in the Northern Hemisphere during the last glacial cycle caused significant changes to river pathways both through directly blocking rivers and through glacial isostatic adjustment. These river pathway changes are believed to of had a significant impact on the evolution of ocean circulation through changing the pattern of fresh water discharge into the oceans. A fully coupled ESM simulation of the last glacial cycle thus requires a hydrological discharge model that uses a set of river pathways that evolve with the earth's changing orography while being able to reproduce the known present-day river network given the present-day orography. Here we present a method for dynamically modelling hydrological discharge that meets such requirements by applying relative manual corrections to an evolving fine scale orography (accounting for the changing ice sheets and isostatic rebound) each time the river directions are recalculated. The corrected orography thus produced is then used to create a set of fine scale river pathways and these are then upscaled to a course scale. An existing present-day hydrological discharge model within the JSBACH3 land surface model is run using the course scale river pathways generated. This method will be used in fully coupled paleoclimate runs made using MPI-ESM1 as part of the PalMod project. Tests show this procedure reproduces the known present-day river network to a sufficient degree of accuracy.

Scalable implicit incompressible resistive MHD with stabilized FE and fully-coupled Newton–Krylov-AMG

DOE PAGES

Shadid, J. N.; Pawlowski, R. P.; Cyr, E. C.; ...

2016-02-10

Here, we discuss that the computational solution of the governing balance equations for mass, momentum, heat transfer and magnetic induction for resistive magnetohydrodynamics (MHD) systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena, as well as the significant range of time- and length-scales that the interactions of these physical mechanisms produce. This paper explores the development of a scalable, fully-implicit stabilized unstructured finite element (FE) capability for 3D incompressible resistive MHD. The discussion considers the development of a stabilized FE formulation in context of the variational multiscale (VMS) method,more » and describes the scalable implicit time integration and direct-to-steady-state solution capability. The nonlinear solver strategy employs Newton–Krylov methods, which are preconditioned using fully-coupled algebraic multilevel preconditioners. These preconditioners are shown to enable a robust, scalable and efficient solution approach for the large-scale sparse linear systems generated by the Newton linearization. Verification results demonstrate the expected order-of-accuracy for the stabilized FE discretization. The approach is tested on a variety of prototype problems, that include MHD duct flows, an unstable hydromagnetic Kelvin–Helmholtz shear layer, and a 3D island coalescence problem used to model magnetic reconnection. Initial results that explore the scaling of the solution methods are also presented on up to 128K processors for problems with up to 1.8B unknowns on a CrayXK7.« less

Interface- and discontinuity-aware numerical schemes for plasma 3-T radiation diffusion in two and three dimensions

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

Dai, William W., E-mail: dai@lanl.gov; Scannapieco, Anthony J.

2015-11-01

A set of numerical schemes is developed for two- and three-dimensional time-dependent 3-T radiation diffusion equations in systems involving multi-materials. To resolve sub-cell structure, interface reconstruction is implemented within any cell that has more than one material. Therefore, the system of 3-T radiation diffusion equations is solved on two- and three-dimensional polyhedral meshes. The focus of the development is on the fully coupling between radiation and material, the treatment of nonlinearity in the equations, i.e., in the diffusion terms and source terms, treatment of the discontinuity across cell interfaces in material properties, the formulations for both transient and steady states,more » the property for large time steps, and second order accuracy in both space and time. The discontinuity of material properties between different materials is correctly treated based on the governing physics principle for general polyhedral meshes and full nonlinearity. The treatment is exact for arbitrarily strong discontinuity. The scheme is fully nonlinear for the full nonlinearity in the 3-T diffusion equations. Three temperatures are fully coupled and are updated simultaneously. The scheme is general in two and three dimensions on general polyhedral meshes. The features of the scheme are demonstrated through numerical examples for transient problems and steady states. The effects of some simplifications of numerical schemes are also shown through numerical examples, such as linearization, simple average of diffusion coefficient, and approximate treatment for the coupling between radiation and material.« less

Integrated Aeromechanics with Three-Dimensional Solid-Multibody Structures

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2014-01-01

A full three-dimensional finite element-multibody structural dynamic solver is coupled to a three-dimensional Reynolds-averaged Navier-Stokes solver for the prediction of integrated aeromechanical stresses and strains on a rotor blade in forward flight. The objective is to lay the foundations of all major pieces of an integrated three-dimensional rotor dynamic analysis - from model construction to aeromechanical solution to stress/strain calculation. The primary focus is on the aeromechanical solution. Two types of three-dimensional CFD/CSD interfaces are constructed for this purpose with an emphasis on resolving errors from geometry mis-match so that initial-stage approximate structural geometries can also be effectively analyzed. A three-dimensional structural model is constructed as an approximation to a UH-60A-like fully articulated rotor. The aerodynamic model is identical to the UH-60A rotor. For preliminary validation measurements from a UH-60A high speed flight is used where CFD coupling is essential to capture the advancing side tip transonic effects. The key conclusion is that an integrated aeromechanical analysis is indeed possible with three-dimensional structural dynamics but requires a careful description of its geometry and discretization of its parts.

Automated, Ultra-Sterile Solid Sample Handling and Analysis on a Chip

NASA Technical Reports Server (NTRS)

Mora, Maria F.; Stockton, Amanda M.; Willis, Peter A.

2013-01-01

There are no existing ultra-sterile lab-on-a-chip systems that can accept solid samples and perform complete chemical analyses without human intervention. The proposed solution is to demonstrate completely automated lab-on-a-chip manipulation of powdered solid samples, followed by on-chip liquid extraction and chemical analysis. This technology utilizes a newly invented glass micro-device for solid manipulation, which mates with existing lab-on-a-chip instrumentation. Devices are fabricated in a Class 10 cleanroom at the JPL MicroDevices Lab, and are plasma-cleaned before and after assembly. Solid samples enter the device through a drilled hole in the top. Existing micro-pumping technology is used to transfer milligrams of powdered sample into an extraction chamber where it is mixed with liquids to extract organic material. Subsequent chemical analysis is performed using portable microchip capillary electrophoresis systems (CE). These instruments have been used for ultra-highly sensitive (parts-per-trillion, pptr) analysis of organic compounds including amines, amino acids, aldehydes, ketones, carboxylic acids, and thiols. Fully autonomous amino acid analyses in liquids were demonstrated; however, to date there have been no reports of completely automated analysis of solid samples on chip. This approach utilizes an existing portable instrument that houses optics, high-voltage power supplies, and solenoids for fully autonomous microfluidic sample processing and CE analysis with laser-induced fluorescence (LIF) detection. Furthermore, the entire system can be sterilized and placed in a cleanroom environment for analyzing samples returned from extraterrestrial targets, if desired. This is an entirely new capability never demonstrated before. The ability to manipulate solid samples, coupled with lab-on-a-chip analysis technology, will enable ultraclean and ultrasensitive end-to-end analysis of samples that is orders of magnitude more sensitive than the ppb goal given in the Science Instruments.

Analysis of chloramphenicol residues in the macroalgae Ulva lactuca through ultra-high performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS).

PubMed

Leston, Sara; Freitas, Andreia; Nunes, Margarida; Barbosa, Jorge; Pardal, Miguel Ângelo; Ramos, Fernando

2015-02-15

Antibiotic use is a well-described practice to promote animal health whether for prevention or treatment. Nonetheless, it can also cause a number of potentially harmful effects that dictate the need to implement regulation to assure a reduction of hazards to the consumers and the environment. Chloramphenicol (CAP) is a broad-spectrum antibacterial excluded from use in animal food production but despite this, reports of illegal use still persist. More recently, awareness has risen that the surrounding natural ecosystems can potentially be contaminated by pharmaceuticals and the extent of their effects in non-target organisms is already under the scope of researchers. To face the demanding new challenges a methodology for the determination of CAP in the green macroalgae Ulva lactuca by ultra-high performance liquid chromatography coupled to tandem mass spectrometry (UHPLC-MS/MS) was developed, optimized and fully validated following the guidelines of the EC Decision 2002/657. Copyright © 2014 Elsevier Ltd. All rights reserved.

Deformation-induced splitting of the isoscalar E 0 giant resonance: Skyrme random-phase-approximation analysis

NASA Astrophysics Data System (ADS)

Kvasil, J.; Nesterenko, V. O.; Repko, A.; Kleinig, W.; Reinhard, P.-G.

2016-12-01

The deformation-induced splitting of isoscalar giant monopole resonance (ISGMR) is systematically analyzed in a wide range of masses covering medium, rare-earth, actinide, and superheavy axial deformed nuclei. The study is performed within the fully self-consistent quasiparticle random-phase-approximation method based on the Skyrme functional. Two Skyrme forces, one with a large (SV-bas) and one with a small (SkP) nuclear incompressibility, are considered. The calculations confirm earlier results that, because of the deformation-induced E 0 -E 2 coupling, the isoscalar E 0 resonance attains a double-peak structure and significant energy upshift. Our results are compared with available analytic estimations. Unlike earlier studies, we get a smaller energy difference between the lower and upper peaks and thus a stronger E 0 -E 2 coupling. This in turn results in more pumping of E 0 strength into the lower peak and more pronounced splitting of ISGMR. We also discuss widths of the peaks and their negligible correlation with deformation.

Deterministic multi-step rotation of magnetic single-domain state in Nickel nanodisks using multiferroic magnetoelastic coupling

NASA Astrophysics Data System (ADS)

Sohn, Hyunmin; Liang, Cheng-yen; Nowakowski, Mark E.; Hwang, Yongha; Han, Seungoh; Bokor, Jeffrey; Carman, Gregory P.; Candler, Robert N.

2017-10-01

We demonstrate deterministic multi-step rotation of a magnetic single-domain (SD) state in Nickel nanodisks using the multiferroic magnetoelastic effect. Ferromagnetic Nickel nanodisks are fabricated on a piezoelectric Lead Zirconate Titanate (PZT) substrate, surrounded by patterned electrodes. With the application of a voltage between opposing electrode pairs, we generate anisotropic in-plane strains that reshape the magnetic energy landscape of the Nickel disks, reorienting magnetization toward a new easy axis. By applying a series of voltages sequentially to adjacent electrode pairs, circulating in-plane anisotropic strains are applied to the Nickel disks, deterministically rotating a SD state in the Nickel disks by increments of 45°. The rotation of the SD state is numerically predicted by a fully-coupled micromagnetic/elastodynamic finite element analysis (FEA) model, and the predictions are experimentally verified with magnetic force microscopy (MFM). This experimental result will provide a new pathway to develop energy efficient magnetic manipulation techniques at the nanoscale.

Exploring coupled 4D-Var data assimilation using an idealised atmosphere-ocean model

NASA Astrophysics Data System (ADS)

Smith, Polly; Fowler, Alison; Lawless, Amos; Haines, Keith

2014-05-01

The successful application of data assimilation techniques to operational numerical weather prediction and ocean forecasting systems has led to an increased interest in their use for the initialisation of coupled atmosphere-ocean models in prediction on seasonal to decadal timescales. Coupled data assimilation presents a significant challenge but offers a long list of potential benefits including improved use of near-surface observations, reduction of initialisation shocks in coupled forecasts, and generation of a consistent system state for the initialisation of coupled forecasts across all timescales. In this work we explore some of the fundamental questions in the design of coupled data assimilation systems within the context of an idealised one-dimensional coupled atmosphere-ocean model. The system is based on the European Centre for Medium-Range Weather Forecasts (ECMWF) Integrated Forecast System (IFS) atmosphere model and a K-Profile Parameterisation (KKP) mixed layer ocean model developed by the National Centre for Atmospheric Science (NCAS) climate group at the University of Reading. It employs a strong constraint incremental 4D-Var scheme and is designed to enable the effective exploration of various approaches to performing coupled model data assimilation whilst avoiding many of the issues associated with more complex models. Working with this simple framework enables a greater range and quantity of experiments to be performed. Here, we will describe the development of our simplified single-column coupled atmosphere-ocean 4D-Var assimilation system and present preliminary results from a series of identical twin experiments devised to investigate and compare the behaviour and sensitivities of different coupled data assimilation methodologies. This includes comparing fully and weakly coupled assimilations with uncoupled assimilation, investigating whether coupled assimilation can eliminate or lessen initialisation shock in coupled model forecasts, and exploring the effect of the assimilation window length in coupled assimilations. These experiments will facilitate a greater theoretical understanding of the coupled atmosphere-ocean data assimilation problem and thus help guide the design and implementation of different coupling strategies within operational systems. This research is funded by the European Space Agency (ESA) and the UK Natural Environment Research Council (NERC). The ESA funded component is part of the Data Assimilation Projects - Coupled Model Data Assimilation initiative whose goal is to advance data assimilation techniques in fully coupled atmosphere-ocean models (see http://www.esa-da.org/). It is being conducted in parallel to the development of prototype weakly coupled data assimilation systems at both the UK Met Office and ECMWF.

Mechanical balance laws for fully nonlinear and weakly dispersive water waves

NASA Astrophysics Data System (ADS)

Kalisch, Henrik; Khorsand, Zahra; Mitsotakis, Dimitrios

2016-10-01

The Serre-Green-Naghdi system is a coupled, fully nonlinear system of dispersive evolution equations which approximates the full water wave problem. The system is known to describe accurately the wave motion at the surface of an incompressible inviscid fluid in the case when the fluid flow is irrotational and two-dimensional. The system is an extension of the well known shallow-water system to the situation where the waves are long, but not so long that dispersive effects can be neglected. In the current work, the focus is on deriving mass, momentum and energy densities and fluxes associated with the Serre-Green-Naghdi system. These quantities arise from imposing balance equations of the same asymptotic order as the evolution equations. In the case of an even bed, the conservation equations are satisfied exactly by the solutions of the Serre-Green-Naghdi system. The case of variable bathymetry is more complicated, with mass and momentum conservation satisfied exactly, and energy conservation satisfied only in a global sense. In all cases, the quantities found here reduce correctly to the corresponding counterparts in both the Boussinesq and the shallow-water scaling. One consequence of the present analysis is that the energy loss appearing in the shallow-water theory of undular bores is fully compensated by the emergence of oscillations behind the bore front. The situation is analyzed numerically by approximating solutions of the Serre-Green-Naghdi equations using a finite-element discretization coupled with an adaptive Runge-Kutta time integration scheme, and it is found that the energy is indeed conserved nearly to machine precision. As a second application, the shoaling of solitary waves on a plane beach is analyzed. It appears that the Serre-Green-Naghdi equations are capable of predicting both the shape of the free surface and the evolution of kinetic and potential energy with good accuracy in the early stages of shoaling.

Coupled mode effects on energy transfer in weakly coupled, two-temperature plasmas

NASA Astrophysics Data System (ADS)

Vorberger, J.; Gericke, D. O.

2009-08-01

The effects of collective modes on the temperature relaxation in fully ionized, weakly coupled plasmas are investigated. A coupled mode (CM) formula for the electron-ion energy transfer is derived within the random phase approximation and it is shown how it can be evaluated using standard methods. The CM rates are considerably smaller than rates based on Fermi's golden rule for some parameters and identical for others. It is shown how the CM effects are connected to the occurrence of ion acoustic modes and when they occur. Interestingly, CM effects occur also for plasmas with very high electron temperatures; a regime, where the Landau-Spitzer approach is believed to be accurate.

Electro-mechanical response of a 3D nerve bundle model to mechanical loads leading to axonal injury.

PubMed

Cinelli, I; Destrade, M; Duffy, M; McHugh, P

2018-03-01

Traumatic brain injuries and damage are major causes of death and disability. We propose a 3D fully coupled electro-mechanical model of a nerve bundle to investigate the electrophysiological impairments due to trauma at the cellular level. The coupling is based on a thermal analogy of the neural electrical activity by using the finite element software Abaqus CAE 6.13-3. The model includes a real-time coupling, modulated threshold for spiking activation, and independent alteration of the electrical properties for each 3-layer fibre within a nerve bundle as a function of strain. Results of the coupled electro-mechanical model are validated with previously published experimental results of damaged axons. Here, the cases of compression and tension are simulated to induce (mild, moderate, and severe) damage at the nerve membrane of a nerve bundle, made of 4 fibres. Changes in strain, stress distribution, and neural activity are investigated for myelinated and unmyelinated nerve fibres, by considering the cases of an intact and of a traumatised nerve membrane. A fully coupled electro-mechanical modelling approach is established to provide insights into crucial aspects of neural activity at the cellular level due to traumatic brain injury. One of the key findings is the 3D distribution of residual stresses and strains at the membrane of each fibre due to mechanically induced electrophysiological impairments, and its impact on signal transmission. Copyright © 2017 John Wiley & Sons, Ltd.

[Coupling between ecological vulnerability and economic poverty in contiguous destitute areas, China: Empirical analysis of 714 poverty-stricken counties.

PubMed

Cao, Shi Song; Wang, Yan Hui; Duan, Fu Zhou; Zhao, Wen Ji; Wang, Zhi Heng; Fang, Na

2016-08-01

Maintaining the coordinated correlation between ecological environment and economic development is one of the important strategies in the new stage of poverty alleviation and development. Taking 714 poverty-stricken counties in contiguous destitute areas as study areas, this paper designed the ecological vulnerability evaluation indicator system based on the ecological sensitivity-resilience-pressure (SRP) conceptual model, as well as the comprehensive poverty evaluation indicators from the perspective of socioeconomic development, so as to build the coupling model to reveal the coupling between ecological vulnerability and economic poverty. The results showed that Hu-Line could act as a feasible partition label to depict the spatial distribution patterns of ecological vulnerability, economic poverty, as well as their coupling degree in contiguous destitute areas, which should be fully taken into consideration the influence of Hu-Line on the east-west pattern classification of national poverty reduction. In addition, there existed a symbiotic positive correlation between ecological vulnerability and economic poverty, therefore, the strategic significance of ecological and environment protection in poverty-stricken areas should be specifically emphasized to reduce economic poverty by synchronously protecting the ecological environment. Approximately half of the counties involved in the study area were in the coordinated type of recession disorders, where the ecological environment quality and the economic development could not be synchronized.

Simulation of Stochastic Processes by Coupled ODE-PDE

NASA Technical Reports Server (NTRS)

Zak, Michail

2008-01-01

A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

Hamiltonian mean-field model: effect of temporal perturbation in coupling matrix

NASA Astrophysics Data System (ADS)

Bhadra, Nivedita; Patra, Soumen K.

2018-05-01

The Hamiltonian mean-field (HMF) model is a system of fully coupled rotators which exhibits a second-order phase transition at some critical energy in its canonical ensemble. We investigate the case where the interaction between the rotors is governed by a time-dependent coupling matrix. Our numerical study reveals a shift in the critical point due to the temporal modulation. The shift in the critical point is shown to be independent of the modulation frequency above some threshold value, whereas the impact of the amplitude of modulation is dominant. In the microcanonical ensemble, the system with constant coupling reaches a quasi-stationary state (QSS) at an energy near the critical point. Our result indicates that the QSS subsists in presence of such temporal modulation of the coupling parameter.

Effects of hand configuration on muscle force coordination, co-contraction and concomitant intermuscular coupling during maximal isometric flexion of the fingers.

PubMed

Charissou, Camille; Amarantini, David; Baurès, Robin; Berton, Eric; Vigouroux, Laurent

2017-11-01

The mechanisms governing the control of musculoskeletal redundancy remain to be fully understood. The hand is highly redundant, and shows different functional role of extensors according to its configuration for a same functional task of finger flexion. Through intermuscular coherence analysis combined with hand musculoskeletal modelling during maximal isometric hand contractions, our aim was to better understand the neural mechanisms underlying the control of muscle force coordination and agonist-antagonist co-contraction. Thirteen participants performed maximal isometric flexions of the fingers in two configurations: power grip (Power) and finger-pressing on a surface (Press). Hand kinematics and force/moment measurements were used as inputs in a musculoskeletal model of the hand to determine muscular tensions and co-contraction. EMG-EMG coherence analysis was performed between wrist and finger flexors and extensor muscle pairs in alpha, beta and gamma frequency bands. Concomitantly with tailored muscle force coordination and increased co-contraction between Press and Power (mean difference: 48.08%; p < 0.05), our results showed muscle-pair-specific modulation of intermuscular coupling, characterized by pair-specific modulation of EMG-EMG coherence between Power and Press (p < 0.05), and a negative linear association between co-contraction and intermuscular coupling for the ECR/FCR agonist-antagonist muscle pair (r = - 0.65; p < 0.05). This study brings new evidence that pair-specific modulation of EMG-EMG coherence is related to modulation of muscle force coordination during hand contractions. Our results highlight the functional importance of intermuscular coupling as a mechanism contributing to the control of muscle force synergies and agonist-antagonist co-contraction.

Local shear instabilities in weakly ionized, weakly magnetized disks

NASA Technical Reports Server (NTRS)

Blaes, Omer M.; Balbus, Steven A.

1994-01-01

We extend the analysis of axisymmetric magnetic shear instabilities from ideal magnetohydrodynamic (MHD) flows to weakly ionized plasmas with coupling between ions and neutrals caused by collisions, ionization, and recombination. As part of the analysis, we derive the single-fluid MHD dispersion relation without invoking the Boussinesq approximation. This work expands the range of applications of these instabilities from fully ionized accretion disks to molecular disks in galaxies and, with somewhat more uncertainty, to protostellar disks. Instability generally requires the angular velocity to decrease outward, the magnetic field strengths to be subthermal, and the ions and neutrals to be sufficiently well coupled. If ionization and recombination processes can be neglected on an orbital timescale, adequate coupling is achieved when the collision frequency of a given neutral with the ions exceeds the local epicyclic freqency. When ionization equilibrium is maintained on an orbital timescale, a new feature is present in the disk dynamics: in contrast to a single-fluid system, subthermal azimuthal fields can affect the axisymmetric stability of weakly ionized two-fluid systems. We discuss the underlying causes for this behavior. Azimuthal fields tend to be stabilizing under these circumstances, and good coupling between the neutrals and ions requires the collision frequency to exceed the epicyclic frequency by a potentially large secant factor related to the magnetic field geometry. When the instability is present, subthermal azimuthal fields may also reduce the growth rate unless the collision frequency is high, but this is important only if the field strengths are very subthermal and/or the azimuthal field is the dominant field component. We briefly discuss our results in the context of the Galactic center circumnuclear disk, and suggest that the shear instability might be present there, and be responsible for the observed turbulent motions.

The left dorsolateral prefrontal cortex and caudate pathway: New evidence for cue-induced craving of smokers.

PubMed

Yuan, Kai; Yu, Dahua; Bi, Yanzhi; Wang, Ruonan; Li, Min; Zhang, Yajuan; Dong, Minghao; Zhai, Jinquan; Li, Yangding; Lu, Xiaoqi; Tian, Jie

2017-09-01

Although the activation of the prefrontal cortex (PFC) and the striatum had been found in smoking cue induced craving task, whether and how the functional interactions and white matter integrity between these brain regions contribute to craving processing during smoking cue exposure remains unknown. Twenty-five young male smokers and 26 age- and gender-matched nonsmokers participated in the smoking cue-reactivity task. Craving related brain activation was extracted and psychophysiological interactions (PPI) analysis was used to specify the PFC-efferent pathways contributed to smoking cue-induced craving. Diffusion tensor imaging (DTI) and probabilistic tractography was used to explore whether the fiber connectivity strength facilitated functional coupling of the circuit with the smoking cue-induced craving. The PPI analysis revealed the negative functional coupling of the left dorsolateral prefrontal cortex (DLPFC) and the caudate during smoking cue induced craving task, which positively correlated with the craving score. Neither significant activation nor functional connectivity in smoking cue exposure task was detected in nonsmokers. DTI analyses revealed that fiber tract integrity negatively correlated with functional coupling in the DLPFC-caudate pathway and activation of the caudate induced by smoking cue in smokers. Moreover, the relationship between the fiber connectivity integrity of the left DLPFC-caudate and smoking cue induced caudate activation can be fully mediated by functional coupling strength of this circuit in smokers. The present study highlighted the left DLPFC-caudate pathway in smoking cue-induced craving in smokers, which may reflect top-down prefrontal modulation of striatal reward processing in smoking cue induced craving processing. Hum Brain Mapp 38:4644-4656, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Recovery Discontinuous Galerkin Jacobian-Free Newton-Krylov Method for All-Speed Flows

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

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

A novel numerical algorithm (rDG-JFNK) for all-speed fluid flows with heat conduction and viscosity is introduced. The rDG-JFNK combines the Discontinuous Galerkin spatial discretization with the implicit Runge-Kutta time integration under the Jacobian-free Newton-Krylov framework. We solve fully-compressible Navier-Stokes equations without operator-splitting of hyperbolic, diffusion and reaction terms, which enables fully-coupled high-order temporal discretization. The stability constraint is removed due to the L-stable Explicit, Singly Diagonal Implicit Runge-Kutta (ESDIRK) scheme. The governing equations are solved in the conservative form, which allows one to accurately compute shock dynamics, as well as low-speed flows. For spatial discretization, we develop a “recovery” familymore » of DG, exhibiting nearly-spectral accuracy. To precondition the Krylov-based linear solver (GMRES), we developed an “Operator-Split”-(OS) Physics Based Preconditioner (PBP), in which we transform/simplify the fully-coupled system to a sequence of segregated scalar problems, each can be solved efficiently with Multigrid method. Each scalar problem is designed to target/cluster eigenvalues of the Jacobian matrix associated with a specific physics.« less

Molecular sensing using monolayer floating gate, fully depleted SOI MOSFET acting as an exponential transducer.

PubMed

Takulapalli, Bharath R

2010-02-23

Field-effect transistor-based chemical sensors fall into two broad categories based on the principle of signal transduction-chemiresistor or Schottky-type devices and MOSFET or inversion-type devices. In this paper, we report a new inversion-type device concept-fully depleted exponentially coupled (FDEC) sensor, using molecular monolayer floating gate fully depleted silicon on insulator (SOI) MOSFET. Molecular binding at the chemical-sensitive surface lowers the threshold voltage of the device inversion channel due to a unique capacitive charge-coupling mechanism involving interface defect states, causing an exponential increase in the inversion channel current. This response of the device is in opposite direction when compared to typical MOSFET-type sensors, wherein inversion current decreases in a conventional n-channel sensor device upon addition of negative charge to the chemical-sensitive device surface. The new sensor architecture enables ultrahigh sensitivity along with extraordinary selectivity. We propose the new sensor concept with the aid of analytical equations and present results from our experiments in liquid phase and gas phase to demonstrate the new principle of signal transduction. We present data from numerical simulations to further support our theory.

Microbial contributions to coupled arsenic and sulfur cycling in the acid-sulfide hot spring Champagne Pool, New Zealand.

PubMed

Hug, Katrin; Maher, William A; Stott, Matthew B; Krikowa, Frank; Foster, Simon; Moreau, John W

2014-01-01

Acid-sulfide hot springs are analogs of early Earth geothermal systems where microbial metal(loid) resistance likely first evolved. Arsenic is a metalloid enriched in the acid-sulfide hot spring Champagne Pool (Waiotapu, New Zealand). Arsenic speciation in Champagne Pool follows reaction paths not yet fully understood with respect to biotic contributions and coupling to biogeochemical sulfur cycling. Here we present quantitative arsenic speciation from Champagne Pool, finding arsenite dominant in the pool, rim and outflow channel (55-75% total arsenic), and dithio- and trithioarsenates ubiquitously present as 18-25% total arsenic. In the outflow channel, dimethylmonothioarsenate comprised ≤9% total arsenic, while on the outflow terrace thioarsenates were present at 55% total arsenic. We also quantified sulfide, thiosulfate, sulfate and elemental sulfur, finding sulfide and sulfate as major species in the pool and outflow terrace, respectively. Elemental sulfur concentration reached a maximum at the terrace. Phylogenetic analysis of 16S rRNA genes from metagenomic sequencing revealed the dominance of Sulfurihydrogenibium at all sites and an increased archaeal population at the rim and outflow channel. Several phylotypes were found closely related to known sulfur- and sulfide-oxidizers, as well as sulfur- and sulfate-reducers. Bioinformatic analysis revealed genes underpinning sulfur redox transformations, consistent with sulfur speciation data, and illustrating a microbial role in sulfur-dependent transformation of arsenite to thioarsenate. Metagenomic analysis also revealed genes encoding for arsenate reductase at all sites, reflecting the ubiquity of thioarsenate and a need for microbial arsenate resistance despite anoxic conditions. Absence of the arsenite oxidase gene, aio, at all sites suggests prioritization of arsenite detoxification over coupling to energy conservation. Finally, detection of methyl arsenic in the outflow channel, in conjunction with increased sequences from Aquificaceae, supports a role for methyltransferase in thermophilic arsenic resistance. Our study highlights microbial contributions to coupled arsenic and sulfur cycling at Champagne Pool, with implications for understanding the evolution of microbial arsenic resistance in sulfidic geothermal systems.

Modeling and analysis of a meso-hydraulic climbing robot with artificial muscle actuation.

PubMed

Chapman, Edward M; Jenkins, Tyler E; Bryant, Matthew

2017-11-08

This paper presents a fully coupled electro-hydraulic model of a bio-inspired climbing robot actuated by fluidic artificial muscles (FAMs). This analysis expands upon previous FAM literature by considering not only the force and contraction characteristics of the actuator, but the complete hydraulic and electromechanical circuits as well as the dynamics of the climbing robot. This analysis allows modeling of the time-varying applied pressure, electrical current, and actuator contraction for accurate prediction of the robot motion, energy consumption, and mechanical work output. The developed model is first validated against mechanical and electrical data collected from a proof-of-concept prototype robot. The model is then employed to study the system-level sensitivities of the robot locomotion efficiency and average climbing speed to several design and operating parameters. The results of this analysis demonstrate that considering only the transduction efficiency of the FAM actuators is insufficient to maximize the efficiency of the complete robot, and that a holistic approach can lead to significant improvements in performance.

Life Predicted in a Probabilistic Design Space for Brittle Materials With Transient Loads

NASA Technical Reports Server (NTRS)

Nemeth, Noel N.; Palfi, Tamas; Reh, Stefan

2005-01-01

Analytical techniques have progressively become more sophisticated, and now we can consider the probabilistic nature of the entire space of random input variables on the lifetime reliability of brittle structures. This was demonstrated with NASA s CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code combined with the commercially available ANSYS/Probabilistic Design System (ANSYS/PDS), a probabilistic analysis tool that is an integral part of the ANSYS finite-element analysis program. ANSYS/PDS allows probabilistic loads, component geometry, and material properties to be considered in the finite-element analysis. CARES/Life predicts the time dependent probability of failure of brittle material structures under generalized thermomechanical loading--such as that found in a turbine engine hot-section. Glenn researchers coupled ANSYS/PDS with CARES/Life to assess the effects of the stochastic variables of component geometry, loading, and material properties on the predicted life of the component for fully transient thermomechanical loading and cyclic loading.

Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

DOE PAGES

Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; ...

2015-09-08

In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

Early warning signals of Atlantic Meridional Overturning Circulation collapse in a fully coupled climate model

NASA Astrophysics Data System (ADS)

Boulton, Chris A.; Allison, Lesley C.; Lenton, Timothy M.

2014-12-01

The Atlantic Meridional Overturning Circulation (AMOC) exhibits two stable states in models of varying complexity. Shifts between alternative AMOC states are thought to have played a role in past abrupt climate changes, but the proximity of the climate system to a threshold for future AMOC collapse is unknown. Generic early warning signals of critical slowing down before AMOC collapse have been found in climate models of low and intermediate complexity. Here we show that early warning signals of AMOC collapse are present in a fully coupled atmosphere-ocean general circulation model, subject to a freshwater hosing experiment. The statistical significance of signals of increasing lag-1 autocorrelation and variance vary with latitude. They give up to 250 years warning before AMOC collapse, after ~550 years of monitoring. Future work is needed to clarify suggested dynamical mechanisms driving critical slowing down as the AMOC collapse is approached.

Early warning signals of Atlantic Meridional Overturning Circulation collapse in a fully coupled climate model

PubMed Central

Boulton, Chris A.; Allison, Lesley C.; Lenton, Timothy M.

2014-01-01

The Atlantic Meridional Overturning Circulation (AMOC) exhibits two stable states in models of varying complexity. Shifts between alternative AMOC states are thought to have played a role in past abrupt climate changes, but the proximity of the climate system to a threshold for future AMOC collapse is unknown. Generic early warning signals of critical slowing down before AMOC collapse have been found in climate models of low and intermediate complexity. Here we show that early warning signals of AMOC collapse are present in a fully coupled atmosphere-ocean general circulation model, subject to a freshwater hosing experiment. The statistical significance of signals of increasing lag-1 autocorrelation and variance vary with latitude. They give up to 250 years warning before AMOC collapse, after ~550 years of monitoring. Future work is needed to clarify suggested dynamical mechanisms driving critical slowing down as the AMOC collapse is approached. PMID:25482065

Early warning signals of Atlantic Meridional Overturning Circulation collapse in a fully coupled climate model.

PubMed

Boulton, Chris A; Allison, Lesley C; Lenton, Timothy M

2014-12-08

The Atlantic Meridional Overturning Circulation (AMOC) exhibits two stable states in models of varying complexity. Shifts between alternative AMOC states are thought to have played a role in past abrupt climate changes, but the proximity of the climate system to a threshold for future AMOC collapse is unknown. Generic early warning signals of critical slowing down before AMOC collapse have been found in climate models of low and intermediate complexity. Here we show that early warning signals of AMOC collapse are present in a fully coupled atmosphere-ocean general circulation model, subject to a freshwater hosing experiment. The statistical significance of signals of increasing lag-1 autocorrelation and variance vary with latitude. They give up to 250 years warning before AMOC collapse, after ~550 years of monitoring. Future work is needed to clarify suggested dynamical mechanisms driving critical slowing down as the AMOC collapse is approached.

An Integrative, Multi-Scale Computational Model of a Swimming Lamprey Fully Coupled to Its Fluid Environment and Incorporating Proprioceptive Feedback

NASA Astrophysics Data System (ADS)

Hamlet, C. L.; Hoffman, K.; Fauci, L.; Tytell, E.

2016-02-01

The lamprey is a model organism for both neurophysiology and locomotion studies. To study the role of sensory feedback as an organism moves through its environment, a 2D, integrative, multi-scale model of an anguilliform swimmer driven by neural activation from a central pattern generator (CPG) is constructed. The CPG in turn drives muscle kinematics and is fully coupled to the surrounding fluid. The system is numerically evolved in time using an immersed boundary framework producing an emergent swimming mode. Proprioceptive feedback to the CPG based on experimental observations adjust the activation signal as the organism interacts with its environment. Effects on the speed, stability and cost (metabolic work) of swimming due to nonlinear dependencies associated with muscle force development combined with proprioceptive feedback to neural activation are estimated and examined.

Experiments and Simulations of Fully Hydro-Mechanically Coupled Response of Rough Fractures Exposed to High-Pressure Fluid Injection

NASA Astrophysics Data System (ADS)

Vogler, D.; Settgast, R. R.; Annavarapu, C.; Madonna, C.; Bayer, P.; Amann, F.

2018-02-01

In this work, we present the application of a fully coupled hydro-mechanical method to investigate the effect of fracture heterogeneity on fluid flow through fractures at the laboratory scale. Experimental and numerical studies of fracture closure behavior in the presence of heterogeneous mechanical and hydraulic properties are presented. We compare the results of two sets of laboratory experiments on granodiorite specimens against numerical simulations in order to investigate the mechanical fracture closure and the hydro-mechanical effects, respectively. The model captures fracture closure behavior and predicts a nonlinear increase in fluid injection pressure with loading. Results from this study indicate that the heterogeneous aperture distributions measured for experiment specimens can be used as model input for a local cubic law model in a heterogeneous fracture to capture fracture closure behavior and corresponding fluid pressure response.

3D CAFE modeling of grain structures: application to primary dendritic and secondary eutectic solidification

NASA Astrophysics Data System (ADS)

Carozzani, T.; Digonnet, H.; Gandin, Ch-A.

2012-01-01

A three-dimensional model is presented for the prediction of grain structures formed in casting. It is based on direct tracking of grain boundaries using a cellular automaton (CA) method. The model is fully coupled with a solution of the heat flow computed with a finite element (FE) method. Several unique capabilities are implemented including (i) the possibility to track the development of several types of grain structures, e.g. dendritic and eutectic grains, (ii) a coupling scheme that permits iterations between the FE method and the CA method, and (iii) tabulated enthalpy curves for the solid and liquid phases that offer the possibility to work with multicomponent alloys. The present CAFE model is also fully parallelized and runs on a cluster of computers. Demonstration is provided by direct comparison between simulated and recorded cooling curves for a directionally solidified aluminum-7 wt% silicon alloy.

Study for prediction of rotor/wake/fuselage interference, part 1

NASA Technical Reports Server (NTRS)

Clark, D. R.; Maskew, B.

1985-01-01

A method was developed which allows the fully coupled calculation of fuselage and rotor airloads for typical helicopter configurations in forward flight. To do this, an iterative solution is carried out based on a conventional panel representation of the fuselage and a blade element representation of the rotor where fuselage and rotor singularity strengths are determined simultaneously at each step and the rotor wake is allowed to relax (deform) in response to changes in rotor wake loading and fuselage presence. On completion of the iteration, rotor loading and inflow, fuselage singularity strength (and, hence, pressure and velocity distributions) and rotor wake are all consistent. The results of a fully coupled calculation of the flow around representative helicopter configurations are presented. The effect of fuselage components on the rotor flow field and the overall wake structure is detailed and the aerodynamic interference between the different parts of the aircraft is discussed.

Laboratory simulation of volcano seismicity.

PubMed

Benson, Philip M; Vinciguerra, Sergio; Meredith, Philip G; Young, R Paul

2008-10-10

The physical processes generating seismicity within volcanic edifices are highly complex and not fully understood. We report results from a laboratory experiment in which basalt from Mount Etna volcano (Italy) was deformed and fractured. The experiment was monitored with an array of transducers around the sample to permit full-waveform capture, location, and analysis of microseismic events. Rapid post-failure decompression of the water-filled pore volume and damage zone triggered many low-frequency events, analogous to volcanic long-period seismicity. The low frequencies were associated with pore fluid decompression and were located in the damage zone in the fractured sample; these events exhibited a weak component of shear (double-couple) slip, consistent with fluid-driven events occurring beneath active volcanoes.

Digital controllers for VTOL aircraft

NASA Technical Reports Server (NTRS)

Stengel, R. F.; Broussard, J. R.; Berry, P. W.

1976-01-01

Using linear-optimal estimation and control techniques, digital-adaptive control laws have been designed for a tandem-rotor helicopter which is equipped for fully automatic flight in terminal area operations. Two distinct discrete-time control laws are designed to interface with velocity-command and attitude-command guidance logic, and each incorporates proportional-integral compensation for non-zero-set-point regulation, as well as reduced-order Kalman filters for sensor blending and noise rejection. Adaptation to flight condition is achieved with a novel gain-scheduling method based on correlation and regression analysis. The linear-optimal design approach is found to be a valuable tool in the development of practical multivariable control laws for vehicles which evidence significant coupling and insufficient natural stability.

Pi-CO₂ aqueous post-combustion CO₂ capture: Proof of concept through thermodynamic, hydrodynamic, and gas-lift pump modeling

DOE PAGES

Blount, G.; Gorensek, M.; Hamm, L.; ...

2014-12-31

Partnering in Innovation, Inc. (Pi-Innovation) introduces an aqueous post-combustion carbon dioxide (CO₂) capture system (Pi-CO₂) that offers high market value by directly addressing the primary constraints limiting beneficial re-use markets (lowering parasitic energy costs, reducing delivered cost of capture, eliminating the need for special solvents, etc.). A highly experienced team has completed initial design, modeling, manufacturing verification, and financial analysis for commercial market entry. Coupled thermodynamic and thermal-hydraulic mass transfer modeling results fully support proof of concept. Pi-CO₂ has the potential to lower total cost and risk to levels sufficient to stimulate global demand for CO₂ from local industrial sources.

Atmosphere-ocean feedbacks in a coastal upwelling system

NASA Astrophysics Data System (ADS)

Alves, J. M. R.; Peliz, A.; Caldeira, R. M. A.; Miranda, P. M. A.

2018-03-01

The COAWST (Coupled Ocean-Atmosphere-Wave-Sediment Transport) modelling system is used in different configurations to simulate the Iberian upwelling during the 2012 summer, aiming to assess the atmosphere-ocean feedbacks in the upwelling dynamics. When model results are compared with satellite measurements and in-situ data, two-way coupling is found to have a moderate impact in data-model statistics. A significant reinforcement of atmosphere-ocean coupling coefficients is, however, observed in the two-way coupled run, and in the WRF and ROMS runs forced by previously simulated SST and wind fields, respectively. The increasing in the coupling coefficient is associated with slight, but potentially important changes in the low-level coastal jet in the atmospheric marine boundary layer. While these results do not imply the need for fully coupled simulations in many applications, they show that in seasonal numerical studies such simulations do not degrade the overall model performance, and contribute to produce better dynamical fields.

Application of Mortar Coupling in Multiscale Modelling of Coupled Flow, Transport, and Biofilm Growth in Porous Media

NASA Astrophysics Data System (ADS)

Laleian, A.; Valocchi, A. J.; Werth, C. J.

2017-12-01

Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this decomposition poses additional challenges with respect to mortar coupling. We explore these challenges and potential solutions. While recent work has demonstrated growing interest in multiscale models, further development is needed for their application to field-scale subsurface contaminant transport and remediation.

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

NASA Technical Reports Server (NTRS)

Yungster, Shaye

1991-01-01

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

The 3a protein from cucumber mosaic virus increases the gating capacity of plasmodesmata in transgenic tobacco plants.

PubMed

Vaquero, C; Turner, A P; Demangeat, G; Sanz, A; Serra, M T; Roberts, K; García-Luque, I

1994-11-01

The 3a protein, encoded by RNA 3 of cucumber mosaic virus (CMV), is the putative movement protein of viral progeny in infected plants. An analysis of transgenic tobacco plants constitutively expressing the CMV 3a protein showed that the protein is accumulated in leaves at every stage of development. In fully expanded leaves the protein is immunodetectable mostly in a cell-wall-enriched fraction. Dye-coupling experiments using fluorescent-dextran probes were performed on fully expanded leaves to study the modifying effect of CMV 3a protein on the gating capacity of plasmodesmata. Movement of fluorescein-isothiocyanate-labelled dextran with a mean molecular mass of 10,000 Da, and an approximate Stokes' radius of 2.3 nm, was detected between cells of the 3a protein transgenic plants, but not in the control plants. These results are consistent with the idea that the CMV 3a protein is involved in the modification of plasmodesmata and, therefore, in the cell-to-cell spread of the virus.

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

NASA Technical Reports Server (NTRS)

Yungster, Shaye

1990-01-01

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Modeling of Complex Coupled Fluid-Structure Interaction Systems in Arbitrary Water Depth

DTIC Science & Technology

2009-01-01

basin. For the particle finite- element method ( PFEM ) near-field fluid model we completed: (4) the development of a fully-coupled fluid/flexible...method ( PFEM ) based framework for the ALE-RANS solver [1]. We presented the theory of ALE-RANS with a k- turbulence closure model and several numerical...implemented by PFEM (Task (4)). In this work a universal wall function (UWF) is introduced and implemented to more accurately predict the boundary

First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

USGS Publications Warehouse

Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

2009-01-01

Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

A Couple-Based Psychological Treatment for Chronic Pain and Relationship Distress.

PubMed

Cano, Annmarie; Corley, Angelia M; Clark, Shannon M; Martinez, Sarah C

2018-02-01

Chronic pain impacts individuals with pain as well as their loved ones. Yet, there has been little attention to the social context in individual psychological treatment approaches to chronic pain management. With this need in mind, we developed a couple-based treatment, "Mindful Living and Relating," aimed at alleviating pain and suffering by promoting couples' psychological and relational flexibility skills. Currently, there is no integrative treatment that fully harnesses the power of the couple, treating both the individual with chronic pain and the spouse as two individuals who are each in need of developing greater psychological and relational flexibility to improve their own and their partners' health. Mindfulness, acceptance, and values-based action exercises were used to promote psychological flexibility. The intervention also targets relational flexibility, which we define as the ability to interact with one's partner, fully attending to the present moment, and responding empathically in a way that serves one's own and one's partner's values. To this end, the intervention also included exercises aimed at applying psychological flexibility skills to social interactions as well as emotional disclosure and empathic responding exercises to enhance relational flexibility. The case presented demonstrates that healthy coping with pain and stress may be most successful and sustainable when one is involved in a supportive relationship with someone who also practices psychological flexibility skills and when both partners use relational flexibility skills during their interactions.

Realizing a Circuit Analog of an Optomechanical System with Longitudinally Coupled Superconducting Resonators

NASA Astrophysics Data System (ADS)

Eichler, C.; Petta, J. R.

2018-06-01

We realize a superconducting circuit analog of the generic cavity-optomechanical Hamiltonian by longitudinally coupling two superconducting resonators, which are an order of magnitude different in frequency. We achieve longitudinal coupling by embedding a superconducting quantum interference device into a high frequency resonator, making its resonance frequency depend on the zero point current fluctuations of a nearby low frequency L C resonator. By applying sideband drive fields we enhance the intrinsic coupling strength of about 15 kHz up to 280 kHz by controlling the amplitude of the drive field. Our results pave the way towards the exploration of optomechanical effects in a fully superconducting platform and could enable quantum optics experiments with photons in the yet unexplored radio frequency band.

Quantitative assessment of human motion using video motion analysis

NASA Technical Reports Server (NTRS)

Probe, John D.

1993-01-01

In the study of the dynamics and kinematics of the human body a wide variety of technologies has been developed. Photogrammetric techniques are well documented and are known to provide reliable positional data from recorded images. Often these techniques are used in conjunction with cinematography and videography for analysis of planar motion, and to a lesser degree three-dimensional motion. Cinematography has been the most widely used medium for movement analysis. Excessive operating costs and the lag time required for film development, coupled with recent advances in video technology, have allowed video based motion analysis systems to emerge as a cost effective method of collecting and analyzing human movement. The Anthropometric and Biomechanics Lab at Johnson Space Center utilizes the video based Ariel Performance Analysis System (APAS) to develop data on shirtsleeved and space-suited human performance in order to plan efficient on-orbit intravehicular and extravehicular activities. APAS is a fully integrated system of hardware and software for biomechanics and the analysis of human performance and generalized motion measurement. Major components of the complete system include the video system, the AT compatible computer, and the proprietary software.

Coupling Hydraulic Fracturing Propagation and Gas Well Performance for Simulation of Production in Unconventional Shale Gas Reservoirs

NASA Astrophysics Data System (ADS)

Wang, C.; Winterfeld, P. H.; Wu, Y. S.; Wang, Y.; Chen, D.; Yin, C.; Pan, Z.

2014-12-01

Hydraulic fracturing combined with horizontal drilling has made it possible to economically produce natural gas from unconventional shale gas reservoirs. An efficient methodology for evaluating hydraulic fracturing operation parameters, such as fluid and proppant properties, injection rates, and wellhead pressure, is essential for the evaluation and efficient design of these processes. Traditional numerical evaluation and optimization approaches are usually based on simulated fracture properties such as the fracture area. In our opinion, a methodology based on simulated production data is better, because production is the goal of hydraulic fracturing and we can calibrate this approach with production data that is already known. This numerical methodology requires a fully-coupled hydraulic fracture propagation and multi-phase flow model. In this paper, we present a general fully-coupled numerical framework to simulate hydraulic fracturing and post-fracture gas well performance. This three-dimensional, multi-phase simulator focuses on: (1) fracture width increase and fracture propagation that occurs as slurry is injected into the fracture, (2) erosion caused by fracture fluids and leakoff, (3) proppant subsidence and flowback, and (4) multi-phase fluid flow through various-scaled anisotropic natural and man-made fractures. Mathematical and numerical details on how to fully couple the fracture propagation and fluid flow parts are discussed. Hydraulic fracturing and production operation parameters, and properties of the reservoir, fluids, and proppants, are taken into account. The well may be horizontal, vertical, or deviated, as well as open-hole or cemented. The simulator is verified based on benchmarks from the literature and we show its application by simulating fracture network (hydraulic and natural fractures) propagation and production data history matching of a field in China. We also conduct a series of real-data modeling studies with different combinations of hydraulic fracturing parameters and present the methodology to design these operations with feedback of simulated production data. The unified model aids in the optimization of hydraulic fracturing design, operations, and production.

Cluster synchronization in networks of identical oscillators with α-function pulse coupling.

PubMed

Chen, Bolun; Engelbrecht, Jan R; Mirollo, Renato

2017-02-01

We study a network of N identical leaky integrate-and-fire model neurons coupled by α-function pulses, weighted by a coupling parameter K. Studies of the dynamics of this system have mostly focused on the stability of the fully synchronized and the fully asynchronous splay states, which naturally depends on the sign of K, i.e., excitation vs inhibition. We find that there is also a rich set of attractors consisting of clusters of fully synchronized oscillators, such as fixed (N-1,1) states, which have synchronized clusters of sizes N-1 and 1, as well as splay states of clusters with equal sizes greater than 1. Additionally, we find limit cycles that clarify the stability of previously observed quasiperiodic behavior. Our framework exploits the neutrality of the dynamics for K=0 which allows us to implement a dimensional reduction strategy that simplifies the dynamics to a continuous flow on a codimension 3 subspace with the sign of K determining the flow direction. This reduction framework naturally incorporates a hierarchy of partially synchronized subspaces in which the new attracting states lie. Using high-precision numerical simulations, we describe completely the sequence of bifurcations and the stability of all fixed points and limit cycles for N=2-4. The set of possible attracting states can be used to distinguish different classes of neuron models. For instance from our previous work [Chaos 24, 013114 (2014)CHAOEH1054-150010.1063/1.4858458] we know that of the types of partially synchronized states discussed here, only the (N-1,1) states can be stable in systems of identical coupled sinusoidal (i.e., Kuramoto type) oscillators, such as θ-neuron models. Upon introducing a small variation in individual neuron parameters, the attracting fixed points we discuss here generalize to equivalent fixed points in which neurons need not fire coincidently.

Cluster synchronization in networks of identical oscillators with α -function pulse coupling

NASA Astrophysics Data System (ADS)

Chen, Bolun; Engelbrecht, Jan R.; Mirollo, Renato

2017-02-01

We study a network of N identical leaky integrate-and-fire model neurons coupled by α -function pulses, weighted by a coupling parameter K . Studies of the dynamics of this system have mostly focused on the stability of the fully synchronized and the fully asynchronous splay states, which naturally depends on the sign of K , i.e., excitation vs inhibition. We find that there is also a rich set of attractors consisting of clusters of fully synchronized oscillators, such as fixed (N -1 ,1 ) states, which have synchronized clusters of sizes N -1 and 1, as well as splay states of clusters with equal sizes greater than 1. Additionally, we find limit cycles that clarify the stability of previously observed quasiperiodic behavior. Our framework exploits the neutrality of the dynamics for K =0 which allows us to implement a dimensional reduction strategy that simplifies the dynamics to a continuous flow on a codimension 3 subspace with the sign of K determining the flow direction. This reduction framework naturally incorporates a hierarchy of partially synchronized subspaces in which the new attracting states lie. Using high-precision numerical simulations, we describe completely the sequence of bifurcations and the stability of all fixed points and limit cycles for N =2 -4 . The set of possible attracting states can be used to distinguish different classes of neuron models. For instance from our previous work [Chaos 24, 013114 (2014), 10.1063/1.4858458] we know that of the types of partially synchronized states discussed here, only the (N -1 ,1 ) states can be stable in systems of identical coupled sinusoidal (i.e., Kuramoto type) oscillators, such as θ -neuron models. Upon introducing a small variation in individual neuron parameters, the attracting fixed points we discuss here generalize to equivalent fixed points in which neurons need not fire coincidently.

Coupled Modeling of Flow, Transport, and Deformation during Hydrodynamically Unstable Displacement in Fractured Rocks

NASA Astrophysics Data System (ADS)

Jha, B.; Juanes, R.

2015-12-01

Coupled processes of flow, transport, and deformation are important during production of hydrocarbons from oil and gas reservoirs. Effective design and implementation of enhanced recovery techniques such as miscible gas flooding and hydraulic fracturing requires modeling and simulation of these coupled proceses in geologic porous media. We develop a computational framework to model the coupled processes of flow, transport, and deformation in heterogeneous fractured rock. We show that the hydrocarbon recovery efficiency during unstable displacement of a more viscous oil with a less viscous fluid in a fractured medium depends on the mechanical state of the medium, which evolves due to permeability alteration within and around fractures. We show that fully accounting for the coupling between the physical processes results in estimates of the recovery efficiency in agreement with observations in field and lab experiments.

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

Liu, Y.; Liu, Z.; Zhang, S.

Parameter estimation provides a potentially powerful approach to reduce model bias for complex climate models. Here, in a twin experiment framework, the authors perform the first parameter estimation in a fully coupled ocean–atmosphere general circulation model using an ensemble coupled data assimilation system facilitated with parameter estimation. The authors first perform single-parameter estimation and then multiple-parameter estimation. In the case of the single-parameter estimation, the error of the parameter [solar penetration depth (SPD)] is reduced by over 90% after ~40 years of assimilation of the conventional observations of monthly sea surface temperature (SST) and salinity (SSS). The results of multiple-parametermore » estimation are less reliable than those of single-parameter estimation when only the monthly SST and SSS are assimilated. Assimilating additional observations of atmospheric data of temperature and wind improves the reliability of multiple-parameter estimation. The errors of the parameters are reduced by 90% in ~8 years of assimilation. Finally, the improved parameters also improve the model climatology. With the optimized parameters, the bias of the climatology of SST is reduced by ~90%. Altogether, this study suggests the feasibility of ensemble-based parameter estimation in a fully coupled general circulation model.« less

Heat-machine control by quantum-state preparation: from quantum engines to refrigerators.

PubMed

Gelbwaser-Klimovsky, D; Kurizki, G

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

Heat-machine control by quantum-state preparation: From quantum engines to refrigerators

NASA Astrophysics Data System (ADS)

Gelbwaser-Klimovsky, D.; Kurizki, G.

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

An alternative to fully coupled reactive transport simulations for long-term prediction of chemical reactions in complex geological systems

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Kühn, Michael

2014-05-01

Fully-coupled reactive transport simulations involving multiphase hydrodynamics and chemical reactions in heterogeneous settings are extremely challenging from a computational point of view. This often leads to oversimplification of the investigated system: coarse spatial discretization, to keep the number of elements in the order of few thousands; simplified chemistry, disregarding many potentially important reactions. A novel approach for coupling non-reactive hydrodynamic simulations with the outcome of single batch geochemical simulations was therefore introduced to assess the potential long-term mineral trapping at the Ketzin pilot site for underground CO2 storage in Germany [1],[2]. The advantage of the coupling is the ability to use multi-million grid non-reactive hydrodynamics simulations on one side and few batch 0D geochemical simulations on the other, so that the complexity of both systems does not need to be reduced. This contribution shows the approach which was taken to validate this simplified coupling scheme. The procedure involved batch simulations of the reference geochemical model, then performing both non-reactive and fully coupled 1D and 3D reactive transport simulations and finally applying the simplified coupling scheme based on the non-reactive and geochemical batch model. The TOUGHREACT/ECO2N [3] simulator was adopted for the validation. The degree of refinement of the spatial grid and the complexity and velocity of the mineral reactions, along with a cut-off value for the minimum concentration of dissolved CO2 allowed to originate precipitates in the simplified approach were found out to be the governing parameters for the convergence of the two schemes. Systematic discrepancies between the approaches are not reducible, simply because there is no feedback between chemistry and hydrodynamics, and can reach 20 % - 30 % in unfavourable cases. However, even such discrepancy is completely acceptable, in our opinion, given the amount of uncertainty underlying the geochemical models. References [1] Klein, E., De Lucia, M., Kempka, T. Kühn, M. 2013. Evaluation of longterm mineral trapping at the Ketzin pilot site for CO2 storage: an integrative approach using geochemical modelling and reservoir simulation. International Journal of Greenhouse Gas Control 19: 720-730, doi:10.1016/j.ijggc.2013.05.014 [2] Kempka, T., Klein, E., De Lucia, M., Tillner, E. Kühn, M. 2013. Assessment of Long-term CO2 Trapping Mechanisms at the Ketzin Pilot Site (Germany) by Coupled Numerical Modelling. Energy Procedia 37: 5419-5426, doi:10.1016/j.egypro.2013.06.460 [3] Xu, T., Spycher, N., Sonnenthal, E., Zhang, G., Zheng, L., Pruess, K. 2010. TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions, Computers & Geosciences 37(6), doi:10.1016/j.cageo.2010.10.007

Development and verification of a new wind speed forecasting system using an ensemble Kalman filter data assimilation technique in a fully coupled hydrologic and atmospheric model

NASA Astrophysics Data System (ADS)

Williams, John L.; Maxwell, Reed M.; Monache, Luca Delle

2013-12-01

Wind power is rapidly gaining prominence as a major source of renewable energy. Harnessing this promising energy source is challenging because of the chaotic nature of wind and its inherently intermittent nature. Accurate forecasting tools are critical to support the integration of wind energy into power grids and to maximize its impact on renewable energy portfolios. We have adapted the Data Assimilation Research Testbed (DART), a community software facility which includes the ensemble Kalman filter (EnKF) algorithm, to expand our capability to use observational data to improve forecasts produced with a fully coupled hydrologic and atmospheric modeling system, the ParFlow (PF) hydrologic model and the Weather Research and Forecasting (WRF) mesoscale atmospheric model, coupled via mass and energy fluxes across the land surface, and resulting in the PF.WRF model. Numerous studies have shown that soil moisture distribution and land surface vegetative processes profoundly influence atmospheric boundary layer development and weather processes on local and regional scales. We have used the PF.WRF model to explore the connections between the land surface and the atmosphere in terms of land surface energy flux partitioning and coupled variable fields including hydraulic conductivity, soil moisture, and wind speed and demonstrated that reductions in uncertainty in these coupled fields realized through assimilation of soil moisture observations propagate through the hydrologic and atmospheric system. The sensitivities found in this study will enable further studies to optimize observation strategies to maximize the utility of the PF.WRF-DART forecasting system.

Application of hybrid methodology to rotors in steady and maneuvering flight

NASA Astrophysics Data System (ADS)

Rajmohan, Nischint

Helicopters are versatile flying machines that have capabilities that are unparalleled by fixed wing aircraft, such as operating in hover, performing vertical takeoff and landing on unprepared sites. This makes their use especially desirable in military and search-and-rescue operations. However, modern helicopters still suffer from high levels of noise and vibration caused by the physical phenomena occurring in the vicinity of the rotor blades. Therefore, improvement in rotorcraft design to reduce the noise and vibration levels requires understanding of the underlying physical phenomena, and accurate prediction capabilities of the resulting rotorcraft aeromechanics. The goal of this research is to study the aeromechanics of rotors in steady and maneuvering flight using hybrid Computational Fluid Dynamics (CFD) methodology. The hybrid CFD methodology uses the Navier-Stokes equations to solve the flow near the blade surface but the effect of the far wake is computed through the wake model. The hybrid CFD methodology is computationally efficient and its wake modeling approach is nondissipative making it an attractive tool to study rotorcraft aeromechanics. Several enhancements were made to the CFD methodology and it was coupled to a Computational Structural Dynamics (CSD) methodology to perform a trimmed aeroelastic analysis of a rotor in forward flight. The coupling analyses, both loose and tight were used to identify the key physical phenomena that affect rotors in different steady flight regimes. The modeling enhancements improved the airloads predictions for a variety of flight conditions. It was found that the tightly coupled method did not impact the loads significantly for steady flight conditions compared to the loosely coupled method. The coupling methodology was extended to maneuvering flight analysis by enhancing the computational and structural models to handle non-periodic flight conditions and vehicle motions in time accurate mode. The flight test control angles were employed to enable the maneuvering flight analysis. The fully coupled model provided the presence of three dynamic stall cycles on the rotor in maneuver. It is important to mention that analysis of maneuvering flight requires knowledge of the pilot input control pitch settings, and the vehicle states. As the result, these computational tools cannot be used for analysis of loads in a maneuver that has not been duplicated in a real flight. This is a significant limitation if these tools are to be selected during the design phase of a helicopter where its handling qualities are evaluated in different trajectories. Therefore, a methodology was developed to couple the CFD/CSD simulation with an inverse flight mechanics simulation to perform the maneuver analysis without using the flight test control input. The methodology showed reasonable convergence in steady flight regime and control angles predictions compared fairly well with test data. In the maneuvering flight regions, the convergence was slower due to relaxation techniques used for the numerical stability. The subsequent computed control angles for the maneuvering flight regions compared well with test data. Further, the enhancement of the rotor inflow computations in the inverse simulation through implementation of a Lagrangian wake model improved the convergence of the coupling methodology.

Development of an Integrated Nonlinear Aeroservoelastic Flight Dynamic Model of the NASA Generic Transport Model

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric

2018-01-01

This paper describes a recent development of an integrated fully coupled aeroservoelastic flight dynamic model of the NASA Generic Transport Model (GTM). The integrated model couples nonlinear flight dynamics to a nonlinear aeroelastic model of the GTM. The nonlinearity includes the coupling of the rigid-body aircraft states in the partial derivatives of the aeroelastic angle of attack. Aeroservoelastic modeling of the control surfaces which are modeled by the Variable Camber Continuous Trailing Edge Flap is also conducted. The R.T. Jones' method is implemented to approximate unsteady aerodynamics. Simulations of the GTM are conducted with simulated continuous and discrete gust loads..

Dynamics modeling and loads analysis of an offshore floating wind turbine

NASA Astrophysics Data System (ADS)

Jonkman, Jason Mark

The vast deepwater wind resource represents a potential to use offshore floating wind turbines to power much of the world with renewable energy. Many floating wind turbine concepts have been proposed, but dynamics models, which account for the wind inflow, aerodynamics, elasticity, and controls of the wind turbine, along with the incident waves, sea current, hydrodynamics, and platform and mooring dynamics of the floater, were needed to determine their technical and economic feasibility. This work presents the development of a comprehensive simulation tool for modeling the coupled dynamic response of offshore floating wind turbines, the verification of the simulation tool through model-to-model comparisons, and the application of the simulation tool to an integrated loads analysis for one of the promising system concepts. A fully coupled aero-hydro-servo-elastic simulation tool was developed with enough sophistication to address the limitations of previous frequency- and time-domain studies and to have the features required to perform loads analyses for a variety of wind turbine, support platform, and mooring system configurations. The simulation capability was tested using model-to-model comparisons. The favorable results of all of the verification exercises provided confidence to perform more thorough analyses. The simulation tool was then applied in a preliminary loads analysis of a wind turbine supported by a barge with catenary moorings. A barge platform was chosen because of its simplicity in design, fabrication, and installation. The loads analysis aimed to characterize the dynamic response and to identify potential loads and instabilities resulting from the dynamic couplings between the turbine and the floating barge in the presence of combined wind and wave excitation. The coupling between the wind turbine response and the barge-pitch motion, in particular, produced larger extreme loads in the floating turbine than experienced by an equivalent land-based turbine. Instabilities were also found in the system. The influence of conventional wind turbine blade-pitch control actions on the pitch damping of the floating turbine was also assessed. Design modifications for reducing the platform motions, improving the turbine response, and eliminating the instabilities are suggested. These suggestions are aimed at obtaining cost-effective designs that achieve favorable performance while maintaining structural integrity.

Moment-based metrics for global sensitivity analysis of hydrological systems

NASA Astrophysics Data System (ADS)

Dell'Oca, Aronne; Riva, Monica; Guadagnini, Alberto

2017-12-01

We propose new metrics to assist global sensitivity analysis, GSA, of hydrological and Earth systems. Our approach allows assessing the impact of uncertain parameters on main features of the probability density function, pdf, of a target model output, y. These include the expected value of y, the spread around the mean and the degree of symmetry and tailedness of the pdf of y. Since reliable assessment of higher-order statistical moments can be computationally demanding, we couple our GSA approach with a surrogate model, approximating the full model response at a reduced computational cost. Here, we consider the generalized polynomial chaos expansion (gPCE), other model reduction techniques being fully compatible with our theoretical framework. We demonstrate our approach through three test cases, including an analytical benchmark, a simplified scenario mimicking pumping in a coastal aquifer and a laboratory-scale conservative transport experiment. Our results allow ascertaining which parameters can impact some moments of the model output pdf while being uninfluential to others. We also investigate the error associated with the evaluation of our sensitivity metrics by replacing the original system model through a gPCE. Our results indicate that the construction of a surrogate model with increasing level of accuracy might be required depending on the statistical moment considered in the GSA. The approach is fully compatible with (and can assist the development of) analysis techniques employed in the context of reduction of model complexity, model calibration, design of experiment, uncertainty quantification and risk assessment.

A fully traits-based approach to modeling global vegetation distribution.

PubMed

van Bodegom, Peter M; Douma, Jacob C; Verheijen, Lieneke M

2014-09-23

Dynamic Global Vegetation Models (DGVMs) are indispensable for our understanding of climate change impacts. The application of traits in DGVMs is increasingly refined. However, a comprehensive analysis of the direct impacts of trait variation on global vegetation distribution does not yet exist. Here, we present such analysis as proof of principle. We run regressions of trait observations for leaf mass per area, stem-specific density, and seed mass from a global database against multiple environmental drivers, making use of findings of global trait convergence. This analysis explained up to 52% of the global variation of traits. Global trait maps, generated by coupling the regression equations to gridded soil and climate maps, showed up to orders of magnitude variation in trait values. Subsequently, nine vegetation types were characterized by the trait combinations that they possess using Gaussian mixture density functions. The trait maps were input to these functions to determine global occurrence probabilities for each vegetation type. We prepared vegetation maps, assuming that the most probable (and thus, most suited) vegetation type at each location will be realized. This fully traits-based vegetation map predicted 42% of the observed vegetation distribution correctly. Our results indicate that a major proportion of the predictive ability of DGVMs with respect to vegetation distribution can be attained by three traits alone if traits like stem-specific density and seed mass are included. We envision that our traits-based approach, our observation-driven trait maps, and our vegetation maps may inspire a new generation of powerful traits-based DGVMs.

A fully automated method for simultaneous determination of aflatoxins and ochratoxin A in dried fruits by pressurized liquid extraction and online solid-phase extraction cleanup coupled to ultra-high-pressure liquid chromatography-tandem mass spectrometry.

PubMed

Campone, Luca; Piccinelli, Anna Lisa; Celano, Rita; Russo, Mariateresa; Valdés, Alberto; Ibáñez, Clara; Rastrelli, Luca

2015-04-01

According to current demands and future perspectives in food safety, this study reports a fast and fully automated analytical method for the simultaneous analysis of the mycotoxins with high toxicity and wide spread, aflatoxins (AFs) and ochratoxin A (OTA) in dried fruits, a high-risk foodstuff. The method is based on pressurized liquid extraction (PLE), with aqueous methanol (30%) at 110 °C, of the slurried dried fruit and online solid-phase extraction (online SPE) cleanup of the PLE extracts with a C18 cartridge. The purified sample was directly analysed by ultra-high-pressure liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) for sensitive and selective determination of AFs and OTA. The proposed analytical procedure was validated for different dried fruits (vine fruit, fig and apricot), providing method detection and quantification limits much lower than the AFs and OTA maximum levels imposed by EU regulation in dried fruit for direct human consumption. Also, recoveries (83-103%) and repeatability (RSD < 8, n = 3) meet the performance criteria required by EU regulation for the determination of the levels of mycotoxins in foodstuffs. The main advantage of the proposed method is full automation of the whole analytical procedure that reduces the time and cost of the analysis, sample manipulation and solvent consumption, enabling high-throughput analysis and highly accurate and precise results.

Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces

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

Venghaus, Florian; Eisfeld, Wolfgang, E-mail: wolfgang.eisfeld@uni-bielefeld.de

2016-03-21

Robust diabatization techniques are key for the development of high-dimensional coupled potential energy surfaces (PESs) to be used in multi-state quantum dynamics simulations. In the present study we demonstrate that, besides the actual diabatization technique, common problems with the underlying electronic structure calculations can be the reason why a diabatization fails. After giving a short review of the theoretical background of diabatization, we propose a method based on the block-diagonalization to analyse the electronic structure data. This analysis tool can be used in three different ways: First, it allows to detect issues with the ab initio reference data and ismore » used to optimize the setup of the electronic structure calculations. Second, the data from the block-diagonalization are utilized for the development of optimal parametrized diabatic model matrices by identifying the most significant couplings. Third, the block-diagonalization data are used to fit the parameters of the diabatic model, which yields an optimal initial guess for the non-linear fitting required by standard or more advanced energy based diabatization methods. The new approach is demonstrated by the diabatization of 9 electronic states of the propargyl radical, yielding fully coupled full-dimensional (12D) PESs in closed form.« less

Epitaxy of advanced nanowire quantum devices

NASA Astrophysics Data System (ADS)

Gazibegovic, Sasa; Car, Diana; Zhang, Hao; Balk, Stijn C.; Logan, John A.; de Moor, Michiel W. A.; Cassidy, Maja C.; Schmits, Rudi; Xu, Di; Wang, Guanzhong; Krogstrup, Peter; Op Het Veld, Roy L. M.; Zuo, Kun; Vos, Yoram; Shen, Jie; Bouman, Daniël; Shojaei, Borzoyeh; Pennachio, Daniel; Lee, Joon Sue; van Veldhoven, Petrus J.; Koelling, Sebastian; Verheijen, Marcel A.; Kouwenhoven, Leo P.; Palmstrøm, Chris J.; Bakkers, Erik P. A. M.

2017-08-01

Semiconductor nanowires are ideal for realizing various low-dimensional quantum devices. In particular, topological phases of matter hosting non-Abelian quasiparticles (such as anyons) can emerge when a semiconductor nanowire with strong spin-orbit coupling is brought into contact with a superconductor. To exploit the potential of non-Abelian anyons—which are key elements of topological quantum computing—fully, they need to be exchanged in a well-controlled braiding operation. Essential hardware for braiding is a network of crystalline nanowires coupled to superconducting islands. Here we demonstrate a technique for generic bottom-up synthesis of complex quantum devices with a special focus on nanowire networks with a predefined number of superconducting islands. Structural analysis confirms the high crystalline quality of the nanowire junctions, as well as an epitaxial superconductor-semiconductor interface. Quantum transport measurements of nanowire ‘hashtags’ reveal Aharonov-Bohm and weak-antilocalization effects, indicating a phase-coherent system with strong spin-orbit coupling. In addition, a proximity-induced hard superconducting gap (with vanishing sub-gap conductance) is demonstrated in these hybrid superconductor-semiconductor nanowires, highlighting the successful materials development necessary for a first braiding experiment. Our approach opens up new avenues for the realization of epitaxial three-dimensional quantum architectures which have the potential to become key components of various quantum devices.

Measurement of vector boson scattering and constraints on anomalous quartic couplings from events with four leptons and two jets in proton-proton collisions at √{ s } = 13 TeV

NASA Astrophysics Data System (ADS)

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Ambrogi, F.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Grossmann, J.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, N.; Krätschmer, I.; Liko, D.; Madlener, T.; Mikulec, I.; Pree, E.; Rabady, D.; Rad, N.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Spanring, M.; Spitzbart, D.; Waltenberger, W.; Wittmann, J.; Wulz, C.-E.; Zarucki, M.; Chekhovsky, V.; Mossolov, V.; Suarez Gonzalez, J.; De Wolf, E. A.; Di Croce, D.; Janssen, X.; Lauwers, J.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; De Bruyn, I.; De Clercq, J.; Deroover, K.; Flouris, G.; Lontkovskyi, D.; Lowette, S.; Moortgat, S.; Moreels, L.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Roskas, C.; Salva, S.; Tytgat, M.; Verbeke, W.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caputo, C.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Melo De Almeida, M.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Misheva, M.; Rodozov, M.; Shopova, M.; Stoykova, S.; Sultanov, G.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Gao, X.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Jiang, C. H.; Leggat, D.; Liao, H.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Yazgan, E.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Courbon, B.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Starodumov, A.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Assran, Y.; Elgammal, S.; Mahrous, A.; Dewanjee, R. K.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Faure, J. L.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Negro, G.; Rander, J.; Rosowsky, A.; Sahin, M. Ö.; Titov, M.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Charlot, C.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Lobanov, A.; Martin Blanco, J.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Jansová, M.; Le Bihan, A.-C.; Tonon, N.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Viret, S.; Khvedelidze, A.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Verlage, T.; Albert, A.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Teyssier, D.; Thüer, S.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bermúdez Martínez, A.; Bin Anuar, A. A.; Borras, K.; Botta, V.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. 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M.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Errico, F.; Fiore, L.; Iaselli, G.; Lezki, S.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. 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I.; Lopez-Fernandez, R.; Mejia Guisao, J.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Oropeza Barrera, C.; Vazquez Valencia, F.; Pedraza, I.; Salazar Ibarguen, H. A.; Uribe Estrada, C.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Saddique, A.; Shah, M. A.; Shoaib, M.; Waqas, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Szleper, M.; Zalewski, P.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Pyskir, A.; Walczak, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Galinhas, B.; Gallinaro, M.; Hollar, J.; Leonardo, N.; Lloret Iglesias, L.; Nemallapudi, M. 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P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Álvarez Fernández, A.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Cuevas, J.; Erice, C.; Fernandez Menendez, J.; Gonzalez Caballero, I.; González Fernández, J. R.; Palencia Cortezon, E.; Sanchez Cruz, S.; Suárez Andrés, I.; Vischia, P.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Chazin Quero, B.; Curras, E.; Duarte Campderros, J.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Martinez Rivero, C.; Martinez Ruiz del Arbol, P.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Baillon, P.; Ball, A. H.; Barney, D.; Bianco, M.; Bloch, P.; Bocci, A.; Botta, C.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; Chapon, E.; Chen, Y.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Roeck, A.; Dobson, M.; Dorney, B.; du Pree, T.; Dünser, M.; Dupont, N.; Elliott-Peisert, A.; Everaerts, P.; Fallavollita, F.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Glege, F.; Gulhan, D.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Karacheban, O.; Kieseler, J.; Kirschenmann, H.; Knünz, V.; Kornmayer, A.; Kortelainen, M. J.; Krammer, M.; Lange, C.; Lecoq, P.; Lourenço, C.; Lucchini, M. T.; Malgeri, L.; Mannelli, M.; Martelli, A.; Meijers, F.; Merlin, J. A.; Mersi, S.; Meschi, E.; Milenovic, P.; Moortgat, F.; Mulders, M.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Racz, A.; Reis, T.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Seidel, M.; Selvaggi, M.; Sharma, A.; Silva, P.; Sphicas, P.; Stakia, A.; Steggemann, J.; Stoye, M.; Tosi, M.; Treille, D.; Triossi, A.; Tsirou, A.; Veckalns, V.; Verweij, M.; Zeuner, W. D.; Bertl, W.; Caminada, L.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.; Wiederkehr, S. A.; Bachmair, F.; Bäni, L.; Berger, P.; Bianchini, L.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Klijnsma, T.; Lustermann, W.; Mangano, B.; Marionneau, M.; Meinhard, M. T.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrin, G.; Perrozzi, L.; Quittnat, M.; Reichmann, M.; Schönenberger, M.; Shchutska, L.; Tavolaro, V. R.; Theofilatos, K.; Vesterbacka Olsson, M. L.; Wallny, R.; Zhu, D. H.; Aarrestad, T. K.; Amsler, C.; Canelli, M. F.; De Cosa, A.; Del Burgo, R.; Donato, S.; Galloni, C.; Hreus, T.; Kilminster, B.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Seitz, C.; Takahashi, Y.; Zucchetta, A.; Candelise, V.; Doan, T. H.; Jain, Sh.; Khurana, R.; Kuo, C. M.; Lin, W.; Pozdnyakov, A.; Yu, S. S.; Kumar, Arun; Chang, P.; Chao, Y.; Chen, K. F.; Chen, P. H.; Fiori, F.; Hou, W.-S.; Hsiung, Y.; Liu, Y. F.; Lu, R.-S.; Paganis, E.; Psallidas, A.; Steen, A.; Tsai, J. f.; Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Boran, F.; Cerci, S.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Dumanoglu, I.; Girgis, S.; Gokbulut, G.; Guler, Y.; Hos, I.; Kangal, E. E.; Kara, O.; Kayis Topaksu, A.; Kiminsu, U.; Oglakci, M.; Onengut, G.; Ozdemir, K.; Sunar Cerci, D.; Tali, B.; Turkcapar, S.; Zorbakir, I. S.; Zorbilmez, C.; Bilin, B.; Karapinar, G.; Ocalan, K.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Kaya, M.; Kaya, O.; Tekten, S.; Yetkin, E. A.; Agaras, M. N.; Atay, S.; Cakir, A.; Cankocak, K.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Davignon, O.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-storey, S.; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Auzinger, G.; Bainbridge, R.; Breeze, S.; Buchmuller, O.; Bundock, A.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Di Maria, R.; Elwood, A.; Haddad, Y.; Hall, G.; Iles, G.; James, T.; Lane, R.; Laner, C.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mastrolorenzo, L.; Matsushita, T.; Nash, J.; Nikitenko, A.; Palladino, V.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Scott, E.; Seez, C.; Shtipliyski, A.; Summers, S.; Tapper, A.; Uchida, K.; Vazquez Acosta, M.; Virdee, T.; Wardle, N.; Winterbottom, D.; Wright, J.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.; Smith, C.; Bartek, R.; Dominguez, A.; Buccilli, A.; Cooper, S. I.; Henderson, C.; Rumerio, P.; West, C.; Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.; Benelli, G.; Cutts, D.; Garabedian, A.; Hakala, J.; Heintz, U.; Hogan, J. M.; Kwok, K. H. M.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Pazzini, J.; Piperov, S.; Sagir, S.; Syarif, R.; Yu, D.; Band, R.; Brainerd, C.; Burns, D.; Calderon De La Barca Sanchez, M.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; Mulhearn, M.; Pellett, D.; Pilot, J.; Shalhout, S.; Shi, M.; Smith, J.; Squires, M.; Stolp, D.; Tos, K.; Tripathi, M.; Wang, Z.; Bachtis, M.; Bravo, C.; Cousins, R.; Dasgupta, A.; Florent, A.; Hauser, J.; Ignatenko, M.; Mccoll, N.; Saltzberg, D.; Schnaible, C.; Valuev, V.; Bouvier, E.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Ghiasi Shirazi, S. M. A.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Olmedo Negrete, M.; Paneva, M. I.; Shrinivas, A.; Si, W.; Wang, L.; Wei, H.; Wimpenny, S.; Yates, B. R.; Branson, J. G.; Cittolin, S.; Derdzinski, M.; Gerosa, R.; Hashemi, B.; Holzner, A.; Klein, D.; Kole, G.; Krutelyov, V.; Letts, J.; Macneill, I.; Masciovecchio, M.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Wood, J.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Amin, N.; Bhandari, R.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Franco Sevilla, M.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Heller, R.; Incandela, J.; Mullin, S. D.; Ovcharova, A.; Qu, H.; Richman, J.; Stuart, D.; Suarez, I.; Yoo, J.; Anderson, D.; Bendavid, J.; Bornheim, A.; Lawhorn, J. M.; Newman, H. B.; Nguyen, T.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhang, Z.; Zhu, R. Y.; Andrews, M. B.; Ferguson, T.; Mudholkar, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Weinberg, M.; Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Leontsinis, S.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Abdullin, S.; Albrow, M.; Apollinari, G.; Apresyan, A.; Apyan, A.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Canepa, A.; Cerati, G. B.; Cheung, H. W. K.; Chlebana, F.; Cremonesi, M.; Duarte, J.; Elvira, V. D.; Freeman, J.; Gecse, Z.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lincoln, D.; Lipton, R.; Liu, M.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Schneider, B.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strait, J.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Kotov, K.; Ma, P.; Matchev, K.; Mei, H.; Mitselmakher, G.; Rank, D.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Joshi, Y. R.; Linn, S.; Markowitz, P.; Rodriguez, J. L.; Ackert, A.; Adams, T.; Askew, A.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Kolberg, T.; Martinez, G.; Perry, T.; Prosper, H.; Saha, A.; Santra, A.; Sharma, V.; Yohay, R.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Cavanaugh, R.; Chen, X.; Evdokimov, O.; Gerber, C. E.; Hangal, D. A.; Hofman, D. J.; Jung, K.; Kamin, J.; Sandoval Gonzalez, I. D.; Tonjes, M. B.; Trauger, H.; Varelas, N.; Wang, H.; Wu, Z.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; You, C.; Al-bataineh, A.; Baringer, P.; Bean, A.; Boren, S.; Bowen, J.; Castle, J.; Khalil, S.; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Royon, C.; Sanders, S.; Schmitz, E.; Stringer, R.; Tapia Takaki, J. D.; Wang, Q.; Ivanov, A.; Kaadze, K.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Hadley, N. J.; Jabeen, S.; Jeng, G. Y.; Kellogg, R. G.; Kunkle, J.; Mignerey, A. C.; Ricci-Tam, F.; Shin, Y. H.; Skuja, A.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Azzolini, V.; Barbieri, R.; Baty, A.; Bi, R.; Brandt, S.; Busza, W.; Cali, I. A.; D'Alfonso, M.; Demiragli, Z.; Gomez Ceballos, G.; Goncharov, M.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Maier, B.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Tatar, K.; Velicanu, D.; Wang, J.; Wang, T. W.; Wyslouch, B.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Hansen, P.; Kalafut, S.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Claes, D. R.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Nguyen, D.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Loukas, N.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Wayne, M.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Higginbotham, S.; Lange, D.; Luo, J.; Marlow, D.; Mei, K.; Ojalvo, I.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Tully, C.; Malik, S.; Norberg, S.; Barker, A.; Barnes, V. E.; Das, S.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Khatiwada, A.; Miller, D. H.; Neumeister, N.; Peng, C. C.; Schulte, J. F.; Sun, J.; Wang, F.; Xie, W.; Cheng, T.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Ciesielski, R.; Goulianos, K.; Mesropian, C.; Agapitos, A.; Chou, J. P.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Montalvo, R.; Nash, K.; Osherson, M.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Delannoy, A. G.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Castaneda Hernandez, A.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Damgov, J.; De Guio, F.; Dudero, P. R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Wang, Y.; Wolfe, E.; Xia, F.; Harr, R.; Karchin, P. E.; Sturdy, J.; Zaleski, S.; Brodski, M.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Hussain, U.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.; CMS Collaboration

2017-11-01

A measurement of vector boson scattering and constraints on anomalous quartic gauge couplings from events with two Z bosons and two jets are presented. The analysis is based on a data sample of proton-proton collisions at √{ s } = 13 TeV collected with the CMS detector and corresponding to an integrated luminosity of 35.9 fb-1. The search is performed in the fully leptonic final state ZZ → ℓℓℓ‧ℓ‧, where ℓ ,ℓ‧ = e or μ. The electroweak production of two Z bosons in association with two jets is measured with an observed (expected) significance of 2.7 (1.6) standard deviations. A fiducial cross section for the electroweak production is measured to be σEW (pp → ZZ jj → ℓℓℓ‧ℓ‧ jj) =0.40-0.16+0.21(stat) -0.09+0.13 (syst) fb, which is consistent with the standard model prediction. Limits on anomalous quartic gauge couplings are determined in terms of the effective field theory operators T0, T1, T2, T8, and T9. This is the first measurement of vector boson scattering in the ZZ channel at the LHC.

Monte Carlo-based calibration and uncertainty analysis of a coupled plant growth and hydrological model

NASA Astrophysics Data System (ADS)

Houska, T.; Multsch, S.; Kraft, P.; Frede, H.-G.; Breuer, L.

2014-04-01

Computer simulations are widely used to support decision making and planning in the agriculture sector. On the one hand, many plant growth models use simplified hydrological processes and structures - for example, by the use of a small number of soil layers or by the application of simple water flow approaches. On the other hand, in many hydrological models plant growth processes are poorly represented. Hence, fully coupled models with a high degree of process representation would allow for a more detailed analysis of the dynamic behaviour of the soil-plant interface. We coupled two of such high-process-oriented independent models and calibrated both models simultaneously. The catchment modelling framework (CMF) simulated soil hydrology based on the Richards equation and the van Genuchten-Mualem model of the soil hydraulic properties. CMF was coupled with the plant growth modelling framework (PMF), which predicts plant growth on the basis of radiation use efficiency, degree days, water shortage and dynamic root biomass allocation. The Monte Carlo-based generalized likelihood uncertainty estimation (GLUE) method was applied to parameterize the coupled model and to investigate the related uncertainty of model predictions. Overall, 19 model parameters (4 for CMF and 15 for PMF) were analysed through 2 × 106 model runs randomly drawn from a uniform distribution. The model was applied to three sites with different management in Müncheberg (Germany) for the simulation of winter wheat (Triticum aestivum L.) in a cross-validation experiment. Field observations for model evaluation included soil water content and the dry matter of roots, storages, stems and leaves. The shape parameter of the retention curve n was highly constrained, whereas other parameters of the retention curve showed a large equifinality. We attribute this slightly poorer model performance to missing leaf senescence, which is currently not implemented in PMF. The most constrained parameters for the plant growth model were the radiation-use efficiency and the base temperature. Cross validation helped to identify deficits in the model structure, pointing out the need for including agricultural management options in the coupled model.

Design and Impacts of Land-Biogenic-Atmosphere Coupling in the NASA-Unified WRF (NU-WRF) Modeling System

NASA Technical Reports Server (NTRS)

Tan, Qian; Santanello, Joseph A., Jr.; Zhou, Shujia; Tao, Zhining; Peters-Lidard, Christa d.; Chn, Mian

2011-01-01

Land-Atmosphere coupling is typically designed and implemented independently for physical (e.g. water and energy) and chemical (e.g. biogenic emissions and surface depositions)-based models and applications. Differences in scale, data requirements, and physics thus limit the ability of Earth System models to be fully coupled in a consistent manner. In order for the physical-chemical-biological coupling to be complete, treatment of the land in terms of surface classification, condition, fluxes, and emissions must be considered simultaneously and coherently across all components. In this study, we investigate a coupling strategy for the NASA-Unified Weather Research and Forecasting (NU-WRF) model that incorporates the traditionally disparate fluxes of water and energy through NASA's LIS (Land Information System) and biogenic emissions through BEIS (Biogenic Emissions Inventory System) and MEGAN (Model of Emissions of Gases and Aerosols from Nature) into the atmosphere. In doing so, inconsistencies across model inputs and parameter data are resolved such that the emissions from a particular plant species are consistent with the heat and moisture fluxes calculated for that land cover type. In turn, the response of the atmospheric turbulence and mixing in the planetary boundary layer (PBL) acts on the identical surface type, fluxes, and emissions for each. In addition, the coupling of dust emission within the NU-WRF system is performed in order to ensure consistency and to maximize the benefit of high-resolution land representation in LIS. The impacts of those self-consistent components on' the simulation of atmospheric aerosols are then evaluated through the WRF-Chem-GOCART (Goddard Chemistry Aerosol Radiation and Transport) model. Overall, this ambitious project highlights the current difficulties and future potential of fully coupled. components. in Earth System models, and underscores the importance of the iLEAPS community in supporting improved knowledge of processes and innovative approaches for models and observations.

Differences in metabolite profiles caused by pre-analytical blood processing procedures.

PubMed

Nishiumi, Shin; Suzuki, Makoto; Kobayashi, Takashi; Yoshida, Masaru

2018-05-01

Recently, the use of metabolomic analysis of human serum and plasma for biomarker discovery and disease diagnosis in clinical studies has been increasing. The feasibility of using a metabolite biomarker for disease diagnosis is strongly dependent on the metabolite's stability during pre-analytical blood processing procedures, such as serum or plasma sampling and sample storage prior to centrifugation. However, the influence of blood processing procedures on the stability of metabolites has not been fully characterized. In the present study, we compared the levels of metabolites in matched human serum and plasma samples using gas chromatography coupled with mass spectrometry and liquid chromatography coupled with mass spectrometry. In addition, we evaluated the changes in plasma metabolite levels induced by storage at room temperature or at a cold temperature prior to centrifugation. As a result, it was found that 76 metabolites exhibited significant differences between their serum and plasma levels. Furthermore, the pre-centrifugation storage conditions significantly affected the plasma levels of 45 metabolites. These results highlight the importance of blood processing procedures during metabolome analysis, which should be considered during biomarker discovery and the subsequent use of biomarkers for disease diagnosis. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

A high-throughput solid-phase extraction microchip combined with inductively coupled plasma-mass spectrometry for rapid determination of trace heavy metals in natural water.

PubMed

Shih, Tsung-Ting; Hsieh, Cheng-Chuan; Luo, Yu-Ting; Su, Yi-An; Chen, Ping-Hung; Chuang, Yu-Chen; Sun, Yuh-Chang

2016-04-15

Herein, a hyphenated system combining a high-throughput solid-phase extraction (htSPE) microchip with inductively coupled plasma-mass spectrometry (ICP-MS) for rapid determination of trace heavy metals was developed. Rather than performing multiple analyses in parallel for the enhancement of analytical throughput, we improved the processing speed for individual samples by increasing the operation flow rate during SPE procedures. To this end, an innovative device combining a micromixer and a multi-channeled extraction unit was designed. Furthermore, a programmable valve manifold was used to interface the developed microchip and ICP-MS instrumentation in order to fully automate the system, leading to a dramatic reduction in operation time and human error. Under the optimized operation conditions for the established system, detection limits of 1.64-42.54 ng L(-1) for the analyte ions were achieved. Validation procedures demonstrated that the developed method could be satisfactorily applied to the determination of trace heavy metals in natural water. Each analysis could be readily accomplished within just 186 s using the established system. This represents, to the best of our knowledge, an unprecedented speed for the analysis of trace heavy metal ions. Copyright © 2016 Elsevier B.V. All rights reserved.

Aeroelasticity and structural optimization of composite helicopter rotor blades with swept tips

NASA Technical Reports Server (NTRS)

Yuan, K. A.; Friedmann, P. P.

1995-01-01

This report describes the development of an aeroelastic analysis capability for composite helicopter rotor blades with straight and swept tips, and its application to the simulation of helicopter vibration reduction through structural optimization. A new aeroelastic model is developed in this study which is suitable for composite rotor blades with swept tips in hover and in forward flight. The hingeless blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. Arbitrary cross-sectional shape, generally anisotropic material behavior, transverse shears and out-of-plane warping are included in the blade model. The nonlinear equations of motion, derived using Hamilton's principle, are based on a moderate deflection theory. Composite blade cross-sectbnal properties are calculated by a separate linear, two-dimensional cross section analysis. The aerodynamic loads are obtained from quasi-steady, incompressible aerodynamics, based on an implicit formulation. The trim and steady state blade aeroelastic response are solved in a fully coupled manner. In forward flight, where the blade equations of motion are periodic, the coupled trim-aeroelastic response solution is obtained from the harmonic balance method. Subsequently, the periodic system is linearized about the steady state response, and its stability is determined from Floquet theory.

Multi-class analysis of new psychoactive substances and metabolites in hair by pressurized liquid extraction coupled to HPLC-HRMS.

PubMed

Montesano, Camilla; Vannutelli, Gabriele; Massa, Maristella; Simeoni, Maria Chiara; Gregori, Adolfo; Ripani, Luigi; Compagnone, Dario; Curini, Roberta; Sergi, Manuel

2017-05-01

In this paper, an analytical method has been developed and validated for the analysis of new psychoactive substances (NPS) and metabolites in hair samples. The method was based on pressurized liquid extraction (PLE) followed by solid-phase extraction (SPE) clean-up and high performance liquid chromatography-high resolution mass spectrometry (HPLC-HRMS) analysis. To evaluate extraction efficiency and the applicability of the method, hair samples were fortified by soaking in order to obtain a good surrogate for drug users' hair; the amount of incorporated drugs related to their lipophilicity, similarly to in vivo drug incorporation. To the best of our knowledge, this is the first method that allowed for the analysis of both cathinones (5) and synthetic cannabinoids (7) in hair with a single extraction procedure and chromatographic run. A phenethylamine (2C-T-4), 4- fluorophenylpiperazine and methoxetamine were also included showing that PLE coupled to SPE clean-up was suitable for a multi-class analysis of NPS in hair. In addition, the use of PLE significantly reduced hair analysis time: decontamination, incubation, clean-up, and liquid chromatography-mass spectrometry (LC-MS) analysis were carried out in approximately 45 min. The method was fully validated according to Scientific Working Group for Forensic Toxicology (SWGTOX) and Society of Hair Testing (SoHT) guidelines. Limit of quantification (LOQ) values ranged from 8 to 50 pg mg -1 for cathinones, phenetylamines and piperazines, and from 9 to 40 pg mg -1 for synthetic cannabinoids (10 pg mg -1 for methoxetamine). Matrix effects were below 15% for all the analytes, demonstrating the effectiveness of the clean-up step. Inaccuracy was lower than 9% in terms of bias. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Lipidomics by Supercritical Fluid Chromatography

PubMed Central

Laboureur, Laurent; Ollero, Mario; Touboul, David

2015-01-01

This review enlightens the role of supercritical fluid chromatography (SFC) in the field of lipid analysis. SFC has been popular in the late 1980s and 1990s before almost disappearing due to the commercial success of liquid chromatography (LC). It is only 20 years later that a regain of interest appeared when new commercial instruments were introduced. As SFC is fully compatible with the injection of extracts in pure organic solvent, this technique is perfectly suitable for lipid analysis and can be coupled with either highly universal (UV or evaporative light scattering) or highly specific (mass spectrometry) detection methods. A short history of the use of supercritical fluids as mobile phase for the separation oflipids will be introduced first. Then, the advantages and drawbacks of SFC are discussed for each class of lipids (fatty acyls, glycerolipids, glycerophospholipids, sphingolipids, sterols, prenols, polyketides) defined by the LIPID MAPS consortium. PMID:26090714

The Role of Multiphysics Simulation in Multidisciplinary Analysis

NASA Technical Reports Server (NTRS)

Rifai, Steven M.; Ferencz, Robert M.; Wang, Wen-Ping; Spyropoulos, Evangelos T.; Lawrence, Charles; Melis, Matthew E.

1998-01-01

This article describes the applications of the Spectrum(Tm) Solver in Multidisciplinary Analysis (MDA). Spectrum, a multiphysics simulation software based on the finite element method, addresses compressible and incompressible fluid flow, structural, and thermal modeling as well as the interaction between these disciplines. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena. Interaction constraints are enforced in a fully-coupled manner using the augmented-Lagrangian method. Within the multiphysics framework, the finite element treatment of fluids is based on Galerkin-Least-Squares (GLS) method with discontinuity capturing operators. The arbitrary-Lagrangian-Eulerian method is utilized to account for deformable fluid domains. The finite element treatment of solids and structures is based on the Hu-Washizu variational principle. The multiphysics architecture lends itself naturally to high-performance parallel computing. Aeroelastic, propulsion, thermal management and manufacturing applications are presented.

Finite element modeling of a 3D coupled foot-boot model.

PubMed

Qiu, Tian-Xia; Teo, Ee-Chon; Yan, Ya-Bo; Lei, Wei

2011-12-01

Increasingly, musculoskeletal models of the human body are used as powerful tools to study biological structures. The lower limb, and in particular the foot, is of interest because it is the primary physical interaction between the body and the environment during locomotion. The goal of this paper is to adopt the finite element (FE) modeling and analysis approaches to create a state-of-the-art 3D coupled foot-boot model for future studies on biomechanical investigation of stress injury mechanism, foot wear design and parachute landing fall simulation. In the modeling process, the foot-ankle model with lower leg was developed based on Computed Tomography (CT) images using ScanIP, Surfacer and ANSYS. Then, the boot was represented by assembling the FE models of upper, insole, midsole and outsole built based on the FE model of the foot-ankle, and finally the coupled foot-boot model was generated by putting together the models of the lower limb and boot. In this study, the FE model of foot and ankle was validated during balance standing. There was a good agreement in the overall patterns of predicted and measured plantar pressure distribution published in literature. The coupled foot-boot model will be fully validated in the subsequent works under both static and dynamic loading conditions for further studies on injuries investigation in military and sports, foot wear design and characteristics of parachute landing impact in military. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.

Analysis of phenolic compounds in different parts of pomegranate (Punica granatum) fruit by HPLC-PDA-ESI/MS and evaluation of their antioxidant activity: application to different Italian varieties.

PubMed

Russo, Marina; Fanali, Chiara; Tripodo, Giusy; Dugo, Paola; Muleo, Rosario; Dugo, Laura; De Gara, Laura; Mondello, Luigi

2018-06-01

The analysis of pomegranate phenolic compounds belonging to different classes in different fruit parts was performed by high-performance liquid chromatography coupled with photodiode array and mass spectrometry detection. Two different separation methods were optimized for the analysis of anthocyanins and hydrolyzable tannins along with phenolic acids and flavonoids. Two C 18 columns, core-shell and fully porous particle stationary phases, were used. The parameters for separation of phenolic compounds were optimized considering chromatographic resolution and analysis time. Thirty-five phenolic compounds were found, and 28 of them were tentatively identified as belonging to four different phenolic compound classes; namely, anthocyanins, phenolic acids, hydrolyzable tannins, and flavonoids. Quantitative analysis was performed with a mixture of nine phenolic compounds belonging to phenolic compound classes representative of pomegranate. The method was then fully validated in terms of retention time precision, expressed as the relative standard deviation, limit of detection, limit of quantification, and linearity range. Phenolic compounds were analyzed directly in pomegranate juice, and after solvent extraction with a mixture of water and methanol with a small percentage of acid in peel and pulp samples. The accuracy of the extraction method was also assessed, and satisfactory values were obtained. Finally, the method was used to study identified analytes in pomegranate juice, peel, and pulp of six different Italian varieties and one international variety. Differences in phenolic compound profiles among the different pomegranate parts were observed. Pomegranate peel samples showed a high concentration of phenolic compounds, ellagitannins being the most abundant ones, with respect to pulp and juice samples for each variety. With the same samples, total phenols and antioxidant activity were evaluated through colorimetric assays, and the results were correlated among them.

Avoiding drift related to linear analysis update with Lagrangian coordinate models

NASA Astrophysics Data System (ADS)

Wang, Yiguo; Counillon, Francois; Bertino, Laurent

2015-04-01

When applying data assimilation to Lagrangian coordinate models, it is profitable to correct its grid (position, volume). In isopycnal ocean coordinate model, such information is provided by the layer thickness that can be massless but must remains positive (truncated Gaussian distribution). A linear gaussian analysis does not ensure positivity for such variable. Existing methods have been proposed to handle this issue - e.g. post processing, anamorphosis or resampling - but none ensures conservation of the mean, which is imperative in climate application. Here, a framework is introduced to test a new method, which proceed as following. First, layers for which analysis yields negative values are iteratively grouped with neighboring layers, resulting in a probability density function with a larger mean and smaller standard deviation that prevent appearance of negative values. Second, analysis increments of the grouped layer are uniformly distributed, which prevent massless layers to become filled and vice-versa. The new method is proved fully conservative with e.g. OI or 3DVAR but a small drift remains with ensemble-based methods (e.g. EnKF, DEnKF, …) during the update of the ensemble anomaly. However, the resulting drift with the latter is small (an order of magnitude smaller than with post-processing) and the increase of the computational cost moderate. The new method is demonstrated with a realistic application in the Norwegian Climate Prediction Model (NorCPM) that provides climate prediction by assimilating sea surface temperature with the Ensemble Kalman Filter in a fully coupled Earth System model (NorESM) with an isopycnal ocean model (MICOM). Over 25-year analysis period, the new method does not impair the predictive skill of the system but corrects the artificial steric drift introduced by data assimilation, and provide estimate in good agreement with IPCC AR5.

Study on the electromechanical coupling coefficient of Rayleigh-type surface acoustic waves in semi-infinite piezoelectrics/non-piezoelectrics superlattices.

PubMed

Chen, Shi; Zhang, Yinhong; Lin, Shuyu; Fu, Zhiqiang

2014-02-01

The electromechanical coupling coefficient of Rayleigh-type surface acoustic waves in semi-infinite piezoelectrics/non-piezoelectrics superlattices is investigated by the transfer matrix method. Research results show the high electromechanical coupling coefficient can be obtained in these systems. The optimization design of it is also discussed fully. It is significantly influenced by electrical boundary conditions on interfaces, thickness ratios of piezoelectric and non-piezoelectric layers, and material parameters (such as velocities of pure longitudinal and transversal bulk waves in non-piezoelectric layers). In order to obtain higher electromechanical coupling coefficient, shorted interfaces, non-piezoelectric materials with large velocities of longitudinal and transversal bulk waves, and proper thickness ratios should be chosen. Copyright © 2013 Elsevier B.V. All rights reserved.

Realizing a Circuit Analog of an Optomechanical System with Longitudinally Coupled Superconducting Resonators.

PubMed

Eichler, C; Petta, J R

2018-06-01

We realize a superconducting circuit analog of the generic cavity-optomechanical Hamiltonian by longitudinally coupling two superconducting resonators, which are an order of magnitude different in frequency. We achieve longitudinal coupling by embedding a superconducting quantum interference device into a high frequency resonator, making its resonance frequency depend on the zero point current fluctuations of a nearby low frequency LC resonator. By applying sideband drive fields we enhance the intrinsic coupling strength of about 15 kHz up to 280 kHz by controlling the amplitude of the drive field. Our results pave the way towards the exploration of optomechanical effects in a fully superconducting platform and could enable quantum optics experiments with photons in the yet unexplored radio frequency band.

Stochastic process of pragmatic information for 2D spiral wave turbulence in globally and locally coupled Alief-Panfilov oscillators

NASA Astrophysics Data System (ADS)

Kuwahara, Jun; Miyata, Hajime; Konno, Hidetoshi

2017-09-01

Recently, complex dynamics of globally coupled oscillators have been attracting many researcher's attentions. In spite of their numerous studies, their features of nonlinear oscillator systems with global and local couplings in two-dimension (2D) are not understood fully. The paper focuses on 2D states of coherent, clustered and chaotic oscillation especially under the effect of negative global coupling (NGC) in 2D Alief-Panfilov model. It is found that the tuning NGC can cause various new coupling-parameter dependency on the features of oscillations. Then quantitative characterization of various states of oscillations (so called spiral wave turbulence) is examined by using the pragmatic information (PI) which have been utilized in analyzing multimode laser, solar activity and neuronal systems. It is demonstrated that the dynamics of the PI for various oscillations can be characterized successfully by the Hyper-Gamma stochastic process.

Quantifying the impact of smoke aerosol on the UV radiation

NASA Astrophysics Data System (ADS)

Sokolik, I. N.; Tatarskii, V.; Hall, S. R.; Petropavlovskikh, I. V.

2017-12-01

We present an analysis of the impact of smoke on the UV radiation. The analysis is performed for a case study by combining the modeling and measurements. The case study is focusing in wildfires occurred in California in ????. The fires have been affecting the environment in the region, posing a serious threat to the human well - being.The modeling is performed using a fully couple WRF- Chem- SMOKE model. The model uses the FRP MODIS satellite data to generate the smoke emission for an actual event. The smoke aerosol is treated in a size and composition resolved manner. The optical properties are computed online and provided to the TUV model that is incorporated in the WRF - Chem-SMOKE model. The analysis of the impact of smoke on the UV radiation is performed. We assess the impact of smoke on the TOA radiative forcing. Our results show a significant impact of smoke on the radiative regime of the atmosphere.

Acoustic Analysis of a Sandwich Non Metallic Panel for Roofs by FEM and Experimental Validation

NASA Astrophysics Data System (ADS)

Nieto, P. J. García; del Coz Díaz, J. J.; Vilán, J. A. Vilán; Rabanal, F. P. Alvarez

2007-12-01

In this paper we have studied the acoustic behavior of a sandwich non metallic panel for roofs by the finite element method (FEM). This new field of analysis is the fully coupled solution of fluid flows with structural interactions, commonly referred to as fluid-structure interaction (FSI). It is the natural next step to take in the simulation of mechanical systems. The finite element analysis of acoustic-fluid/structure interactions using potential-based or displacement-based Lagrangian formulations is now well established. The non-linearity is due to the `fluid-structure interaction' (FSI) that governs the problem. In a very considerable range of problems the fluid displacement remains small while interaction is substantial. In this category falls our problem, in which the structural motion influence and react with the generation of pressures in two reverberation rooms. The characteristic of acoustic insulation of the panel is calculated basing on the pressures for different frequencies and points in the transmission rooms. Finally the conclusions reached are shown.

Trajectory-based heating analysis for the European Space Agency/Rosetta Earth Return Vehicle

NASA Technical Reports Server (NTRS)

Henline, William D.; Tauber, Michael E.

1994-01-01

A coupled, trajectory-based flowfield and material thermal-response analysis is presented for the European Space Agency proposed Rosetta comet nucleus sample return vehicle. The probe returns to earth along a hyperbolic trajectory with an entry velocity of 16.5 km/s and requires an ablative heat shield on the forebody. Combined radiative and convective ablating flowfield analyses were performed for the significant heating portion of the shallow ballistic entry trajectory. Both quasisteady ablation and fully transient analyses were performed for a heat shield composed of carbon-phenolic ablative material. Quasisteady analysis was performed using the two-dimensional axisymmetric codes RASLE and BLIMPK. Transient computational results were obtained from the one-dimensional ablation/conduction code CMA. Results are presented for heating, temperature, and ablation rate distributions over the probe forebody for various trajectory points. Comparison of transient and quasisteady results indicates that, for the heating pulse encountered by this probe, the quasisteady approach is conservative from the standpoint of predicted surface recession.

The fifth electron in the fully reduced caa(3) from Thermus thermophilus is competent in proton pumping.

PubMed

Siletsky, Sergey A; Belevich, Ilya; Soulimane, Tewfik; Verkhovsky, Michael I; Wikström, Mårten

2013-01-01

The time-resolved kinetics of membrane potential generation coupled to oxidation of the fully reduced (five-electron) caa(3) cytochrome oxidase from Thermus thermophilus by oxygen was studied in a single-turnover regime. In order to calibrate the number of charges that move across the vesicle membrane in the different reaction steps, the reverse electron transfer from heme a(3) to heme a and further to the cytochrome c/Cu(A) has been resolved upon photodissociation of CO from the mixed valence enzyme in the absence of oxygen. The reverse electron transfer from heme a(3) to heme a and further to the cytochrome c/Cu(A) pair is resolved as a single transition with τ~40 μs. In the reaction of the fully reduced cytochrome caa(3) with oxygen, the first electrogenic phase (τ~30 μs) is linked to OO bond cleavage and generation of the P(R) state. The next electrogenic component (τ~50 μs) is associated with the P(R)→F transition and together with the previous reaction step it is coupled to translocation of about two charges across the membrane. The three subsequent electrogenic phases, with time constants of ~0.25 ms, ~1.4 ms and ~4 ms, are linked to the conversion of the binuclear center through the F→O(H)→E(H) transitions, and result in additional transfer of four charges through the membrane dielectric. This indicates that the delivery of the fifth electron from heme c to the binuclear center is coupled to pumping of an additional proton across the membrane. Copyright © 2012 Elsevier B.V. All rights reserved.

Subject-Specific Fully-Coupled and One-Way Fluid-Structure Interaction Models for Modeling of Carotid Atherosclerotic Plaques in Humans

PubMed Central

Tao, Xiaojuan; Gao, Peiyi; Jing, Lina; Lin, Yan; Sui, Binbin

2015-01-01

Background Hemodynamics play an important role in the development and progression of carotid atherosclerosis, and may be important in the assessment of plaque vulnerability. The aim of this study was to develop a system to assess the hemodynamics of carotid atherosclerotic plaques using subject-specific fluid-structure interaction (FSI) models based on magnetic resonance imaging (MRI). Material/Methods Models of carotid bifurcations (n=86 with plaques from 52 patients, n=14 normal carotids from 12 participants) were obtained at the Department of Radiology, Beijing Tian Tan Hospital between 2010 and 2013. The maximum von Mises stress, minimum pressure, and flow velocity values were assessed at the most stenotic site in patients, or at the carotid bifurcations in healthy volunteers. Results of one-way FSI were compared with fully-coupled FSI for the plaques of 19 randomly selected models. Results The maximum von Mises stress and the minimum pressure and velocity were significantly increased in the stenosis group compared with controls based on one-way FSI (all P<0.05). The maximum von Mises stress and the minimum pressure were significantly higher and the velocity was significantly lower based on fully coupled FSI compared with on-way FSI (all P<0.05). Although there were differences in numerical values, both methods were equivalent. The maximum von Mises stress of vulnerable plaques was significantly higher than stable plaques (P<0.001). The maximum von Mises stress of the group with fibrous cap defect was significantly higher than the group without fibrous cap defect (P=0.001). Conclusions The hemodynamics of atherosclerotic plaques can be assessed noninvasively using subject-specific models of FSI based on MRI. PMID:26510514

Characterization of Space Shuttle Ascent Debris Aerodynamics Using CFD Methods

NASA Technical Reports Server (NTRS)

Murman, Scott M.; Aftosmis, Michael J.; Rogers, Stuart E.

2005-01-01

An automated Computational Fluid Dynamics process for determining the aerodynamic Characteristics of debris shedding from the Space Shuttle Launch Vehicle during ascent is presented. This process uses Cartesian fully-coupled, six-degree-of-freedom simulations of isolated debris pieces in a Monte Carlo fashion to produce models for the drag and crossrange behavior over a range of debris shapes and shedding scenarios. A validation of the Cartesian methods against ballistic range data for insulating foam debris shapes at flight conditions, as well as validation of the resulting models, are both contained. These models are integrated with the existing shuttle debris transport analysis software to provide an accurate and efficient engineering tool for analyzing debris sources and their potential for damage.

Embedded Wing Propulsion Conceptual Study

NASA Technical Reports Server (NTRS)

Kim, Hyun D.; Saunders, John D.

2003-01-01

As a part of distributed propulsion work under NASA's Revolutionary Aeropropulsion Concepts or RAC project, a new propulsion-airframe integrated vehicle concept called Embedded Wing Propulsion (EWP) is developed and examined through system and computational fluid dynamics (CFD) studies. The idea behind the concept is to fully integrate a propulsion system within a wing structure so that the aircraft takes full benefits of coupling of wing aerodynamics and the propulsion thrust stream. The objective of this study is to assess the feasibility of the EWP concept applied to large transport aircraft such as the Blended-Wing-Body aircraft. In this paper, some of early analysis and current status of the study are presented. In addition, other current activities of distributed propulsion under the RAC project are briefly discussed.

Theoretical and computational studies of the sheath of a planar wall

NASA Astrophysics Data System (ADS)

Giraudo, Martina; Camporeale, Enrico; Delzanno, Gian Luca; Lapenta, Giovanni

2012-03-01

We present an investigation of the stability and nonlinear evolution of the sheath of a planar wall. We focus on the electrostatic limit. The stability analysis is conducted with a fluid model where continuity and momentum equations for the electrons and ions are coupled through Poisson's equation. The effect of electron emission from the wall is studied parametrically. Our results show that a sheath instability associated with the emitted electrons can exist. Following Ref. [1], it is interpreted as a Rayleigh-Taylor instability driven by the favorable combination of the sheath electron density gradient and electric field. Fully kinetic Particle-In-Cell (PIC) simulations will also be presented to investigate whether this instability indeed exists and to study the nonlinear effect of electron emission on the sheath profiles. The simulations will be conducted with CPIC, a new electrostatic PIC code that couples the standard PIC algorithm with strategies for generation and adaptation of the computational grid. [4pt] [1] G.L. Delzanno, ``A paradigm for the stability of the plasma sheath against fluid perturbations,'' Phys. Plasmas 18, 103508 (2011).

Fluid-structure analysis of a flexible flapping airfoil at low Reynolds number flow

NASA Astrophysics Data System (ADS)

Unger, Ralf; Haupt, Matthias C.; Horst, Peter; Radespiel, Rolf

2012-01-01

In this paper, a coupling simulation methodology is applied to investigate the fluid flow around a light and flexible airfoil based on a handfoil of a seagull. A finite element model of the flexible airfoil is fully coupled to the flow solver by using a load and displacement transfer as well as a fluid grid deformation algorithm. The flow field is characterized by a laminar-turbulent transition at a Reynolds number of Re=100 000, which takes place along a laminar separation bubble. An unsteady Reynolds-averaged Navier-Stokes flow solver is used to take this transition process into account by comparison of a critical N-factor with the N-factor computed by the eN-method. Results of computations have shown that the flexibility of the airfoil has a major influence on the thrust efficiency, the mean drag and lift, and the location of laminar-turbulent transition. The thrust efficiency can be considerably improved by increasing the plunging amplitude and by using a time dependent airfoil stiffness, inspired by the muscle contraction of birds.

Home Advantage in Judo: Analysis by the Combat Phase, Penalties and the Type of Attack

PubMed Central

Brito, Ciro José; Miarka, Bianca; de Durana, Alfonso López Díaz; Fukuda, David H

2017-01-01

Abstract Previous studies indicate positive home advantage in judo; however, the factors that influence home advantage have yet to be fully explored. This study investigated the potential differences in technical-tactical variables between home and visiting athletes. A total of 1411 video recorded matches were analyzed (123 home, 1288 away) from 36 international judo competitions contested in 2011-12. The matches were analyzed by the following criteria: combat phases (approach, gripping, attack, defense, groundwork and pause), penalties (by the athlete or the opponent) and the types of attacks (with or without a score). Elite judo athletes competing in their home country attacked more frequently using trunk/leg couple techniques (p < 0.011) and scored more frequently with arm/leg couple techniques (p < 0.001), while visiting judo athletes received fewer scores from penalties (p < 0.001) and engaged in more frequent pauses during competition (p < 0.01). The results of this study provide an outline of technical-tactical differences that may contribute to home advantage in judo. PMID:28713473

Coupled THM Modeling of Hydroshearing Stimulation in Tight Fractured Volcanic Rock

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

Rinaldi, A. P.; Rutqvist, J.; Sonnenthal, E. L.

Here, we use the TOUGH-FLAC simulator for coupled thermo–hydro-mechanical modeling of well stimulation for an Enhanced Geothermal System (EGS) project. We also analyze the potential for injection-induced fracturing and reactivation of natural fractures in a porous medium with associated permeability enhancement. Our analysis aims to understand how far the EGS reservoir may grow and how the hydroshearing process relates to system conditions. We analyze the enhanced reservoir, or hydrosheared zone, by studying the extent of the failure zone using an elasto-plastic model, and accounting for permeability changes as a function of the induced stresses. For both fully saturated and unsaturatedmore » medium cases, the results demonstrate how EGS reservoir growth depends on the initial fluid phase, and how the reservoir extent changes as a function of two critical parameters: (1) the coefficient of friction, and (2) the permeability-enhancement factor. Furthermore, while well stimulation is driven by pressure exceeding the hydroshearing threshold, the modeling also demonstrates how injection-induced cooling further extends the effects of stimulation.« less

Determination of flubendiamide in honey at trace levels by using solid phase extraction and liquid chromatography coupled to quadrupole time-of-flight mass spectrometry.

PubMed

Ares, Ana M; Valverde, Silvia; Bernal, José L; Toribio, Laura; Nozal, María J; Bernal, José

2017-10-01

In this study, a new method has been developed to determine flubendiamide in honey using liquid chromatography coupled to a selective mass spectrometry detector (quadrupole-time-of-flight). An efficient sample treatment involving a solid phase extraction with a C 18 sorbent was proposed (average analyte recoveries were between 94 and 104%). Chromatographic analysis (9min) was performed on a C 18 column (Gemini C 18 , 50×2.0mm, 3µm, 110Å). The mobile phase consisted of water and acetonitrile, with a flow rate of 0.5mL/min in gradient elution mode. The method was fully validated in terms of selectivity, limits of detection and quantification, matrix effect, linearity, trueness and precision. Low limits of detection and quantification were obtained, ranging from 0.1 to 0.2µg/kg and 0.4 to 0.6µg/kg, respectively. The method was applied to analyze flubendiamide in honey from different botanic origins (multifloral, rosemary and heather). Copyright © 2017 Elsevier Ltd. All rights reserved.

Coupled THM Modeling of Hydroshearing Stimulation in Tight Fractured Volcanic Rock

DOE PAGES

Rinaldi, A. P.; Rutqvist, J.; Sonnenthal, E. L.; ...

2014-03-18

Here, we use the TOUGH-FLAC simulator for coupled thermo–hydro-mechanical modeling of well stimulation for an Enhanced Geothermal System (EGS) project. We also analyze the potential for injection-induced fracturing and reactivation of natural fractures in a porous medium with associated permeability enhancement. Our analysis aims to understand how far the EGS reservoir may grow and how the hydroshearing process relates to system conditions. We analyze the enhanced reservoir, or hydrosheared zone, by studying the extent of the failure zone using an elasto-plastic model, and accounting for permeability changes as a function of the induced stresses. For both fully saturated and unsaturatedmore » medium cases, the results demonstrate how EGS reservoir growth depends on the initial fluid phase, and how the reservoir extent changes as a function of two critical parameters: (1) the coefficient of friction, and (2) the permeability-enhancement factor. Furthermore, while well stimulation is driven by pressure exceeding the hydroshearing threshold, the modeling also demonstrates how injection-induced cooling further extends the effects of stimulation.« less

Volatile changes in Hawaiian noni fruit, Morinda citrifolia L., during ripening and fermentation.

PubMed

Wall, Marisa M; Miller, Samuel; Siderhurst, Matthew S

2018-07-01

Noni fruit (Morinda citrifolia L., Rubiaceae) has been used in traditional medicine throughout the tropics and subtropics and is now attracting interest in western medicine. Fermented noni juice is of particular interest for its promising antitumor activity. The present study collected and analyzed volatiles released at nine time intervals by noni fruit during ripening and fermentation using headspace autosampling coupled to gas chromatography-mass spectrometry. Twenty-three noni volatiles were identified and relatively quantified. In addition to volatiles previously identified in noni, four novel volatile 3-methyl-2/3-butenyl esters were identified via the synthesis of reference compounds. Principle component analysis (PCA) and canonical discriminant analysis (CDA) were used to facilitate multidimensional pattern recognition. PCA showed that ripening noni fruit cluster into three groups, pre-ripe, fully ripe (translucent) and fermented, based on released volatiles. CDA could 83.8% correctly classify noni samples when all ripeness stages were analyzed and 100% when samples were classified into the three PCA groupings. The results of the present study confirm the identities of 3-methyl-2/3-butenyl esters, both novel and previously identified, through the synthesis of reference compounds. These esters constitute a large percentage of the volatiles released by fully ripe and fermented noni and likely produced from the decomposition of noniosides, a group of unique glucosides present in the fruit. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

The "cruel radiance of what is": helping couples live with chronic illness.

PubMed

Weingarten, Kaethe

2013-03-01

The threat of no longer being the person one wants to be hovers over each ill person and plays out relationally. The dynamic interplay of this experience of self-loss and other-loss (Roos, 2002; Weingarten, 2012) has a significant impact on couples, both of whom may come to have both experiences. In this article, I focus on the couples' experience of self- and other-loss in the context of chronic illness, in which one person's experience flows into and informs the other's. In particular, I describe how asymmetric acknowledgment of self-loss and other-loss adds to the misery of couples who are already challenged by poor health. Physical pain also makes dealing with self- and other-loss harder. Therapists can serve couples better if they take a fully collaborative stance; appreciate the dilemmas of witnessing; help couples distinguish new trauma from retraumatization and fear; work with the weaver's dilemma and the boatman's plight (Weingarten, 2012); and are comfortable with discussion of end of life issues. © FPI, Inc.

Ab Initio Calculations of Spin-Orbit Coupling for Heavy-Metal Containing Radicals

NASA Astrophysics Data System (ADS)

Cheng, Lan

2016-06-01

The perturbative treatment of spin-orbit coupling (SOC) on top of scalar-relativistic calculations is a cost-effective alternative to rigorous fully relativistic calculations. In this work the applicability of the perturbative scheme in the framework of spin-free exact two-component theory is demonstrated with calculations of SO splittings and SOC contributions to molecular properties in small heavy-metal containing radicals, including AuO, AuS, and ThO^+. The equation of motion coupled cluster techniques have been used to accurately account for the electron-correlation effects in these radicals, and basis-set effects are carefully analyzed. The computed results are compared with experimental measurements for SO splittings and dipole moments when available.

MEASURED TRANSVERSE COUPLING IMPEDANCE OF RHIC INJECTION AND ABORT KICKERS.

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

HAHN,H.; DAVINO,D.

2001-06-18

Concerns regarding possible transverse instabilities in RHIC and the SNS pointed to the need for measurements of the transverse coupling impedance of ring components. The impedance of the RHIC injection and abort kicker was measured using the conventional method based on the S{sub 21} forward transmission coefficient. A commercial 450 {Omega} twin-wire Lecher line were used and the data was interpreted via the log-formula. All measurements, were performed in test stands fully representing operational conditions including pulsed power supplies and connecting cables. The measured values for the transverse coupling impedance in kick direction and perpendicular to it are comparable inmore » magnitude, but differ from Handbook predictions.« less

A 3D network of helicates fully assembled by pi-stacking interactions.

PubMed

Vázquez, Miguel; Taglietti, Angelo; Gatteschi, Dante; Sorace, Lorenzo; Sangregorio, Claudio; González, Ana M; Maneiro, Marcelino; Pedrido, Rosa M; Bermejo, Manuel R

2003-08-07

The neutral dinuclear dihelicate [Cu2(L)2] x 2CH3CN (1) forms a unique 3D network in the solid state due to pi-stacking interactions, which are responsible for intermolecular antiferromagnetic coupling between Cu(II) ions.

Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

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

Jasper, Ahren W.; Gruey, Zackery B.; Harding, Lawrence B.

Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities atmore » elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.« less

Calculating hyperfine couplings in large ionic crystals containing hundreds of QM atoms: subsystem DFT is the key.

PubMed

Kevorkyants, Ruslan; Wang, Xiqiao; Close, David M; Pavanello, Michele

2013-11-14

We present an application of the linear scaling frozen density embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfcc's) of atoms belonging to a guanine radical cation embedded in a guanine hydrochloride monohydrate crystal. The model systems range from an isolated guanine to a 15,000 atom QM/MM cluster where the QM region is comprised of 36 protonated guanine cations, 36 chlorine anions, and 42 water molecules. Our calculations show that the embedding effects of the surrounding crystal cannot be reproduced by small model systems nor by a pure QM/MM procedure. Instead, a large QM region is needed to fully capture the complicated nature of the embedding effects in this system. The unprecedented system size for a relativistic all-electron isotropic hfcc calculation can be approached in this work because the local nature of the electronic structure of the organic crystals considered is fully captured by the FDE approach.

A fully-implicit Particle-In-Cell Monte Carlo Collision code for the simulation of inductively coupled plasmas

NASA Astrophysics Data System (ADS)

Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.

2017-12-01

We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.

Apodized grating coupler using fully-etched nanostructures

NASA Astrophysics Data System (ADS)

Wu, Hua; Li, Chong; Li, Zhi-Yong; Guo, Xia

2016-08-01

A two-dimensional apodized grating coupler for interfacing between single-mode fiber and photonic circuit is demonstrated in order to bridge the mode gap between the grating coupler and optical fiber. The grating grooves of the grating couplers are realized by columns of fully etched nanostructures, which are utilized to digitally tailor the effective refractive index of each groove in order to obtain the Gaussian-like output diffractive mode and then enhance the coupling efficiency. Compared with that of the uniform grating coupler, the coupling efficiency of the apodized grating coupler is increased by 4.3% and 5.7%, respectively, for the nanoholes and nanorectangles as refractive index tunes layer. Project supported by the National Natural Science Foundation of China (Grant Nos. 61222501, 61335004, and 61505003), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20111103110019), the Postdoctoral Science Foundation of Beijing Funded Project, China (Grant No. Q6002012201502), and the Science and Technology Research Project of Jiangxi Provincial Education Department, China (Grant No. GJJ150998).

Mobile Autonomous Sensing Unit (MASU): A Framework That Supports Distributed Pervasive Data Sensing

PubMed Central

Medina, Esunly; Lopez, David; Meseguer, Roc; Ochoa, Sergio F.; Royo, Dolors; Santos, Rodrigo

2016-01-01

Pervasive data sensing is a major issue that transverses various research areas and application domains. It allows identifying people’s behaviour and patterns without overwhelming the monitored persons. Although there are many pervasive data sensing applications, they are typically focused on addressing specific problems in a single application domain, making them difficult to generalize or reuse. On the other hand, the platforms for supporting pervasive data sensing impose restrictions to the devices and operational environments that make them unsuitable for monitoring loosely-coupled or fully distributed work. In order to help address this challenge this paper present a framework that supports distributed pervasive data sensing in a generic way. Developers can use this framework to facilitate the implementations of their applications, thus reducing complexity and effort in such an activity. The framework was evaluated using simulations and also through an empirical test, and the obtained results indicate that it is useful to support such a sensing activity in loosely-coupled or fully distributed work scenarios. PMID:27409617

The SMAP Level-4 ECO Project: Linking the Terrestrial Water and Carbon Cycles

NASA Technical Reports Server (NTRS)

Kolassa, J.; Reichle, R. H.; Liu, Qing; Koster, Randal D.

2017-01-01

The SMAP (Soil Moisture Active Passive) Level-4 projects aims to develop a fully coupled hydrology-vegetation data assimilation algorithm to generate improved estimates of modeled hydrological fields and carbon fluxes. This includes using the new NASA Catchment-CN (Catchment-Carbon-Nitrogen) model, which combines the Catchment land surface hydrology model with dynamic vegetation components from the Community Land Model version 4 (CLM4). As such, Catchment-CN allows a more realistic, fully coupled feedback between the land hydrology and the biosphere. The L4 ECO project further aims to inform the model through the assimilation of Soil Moisture Active Passive (SMAP) brightness temperature observations as well as observations of Moderate Resolution Imaging Spectroradiometer (MODIS) fraction of absorbed photosynthetically active radiation (FPAR). Preliminary results show that the assimilation of SMAP observations leads to consistent improvements in the model soil moisture skill. An evaluation of the Catchment-CN modeled vegetation characteristics showed that a calibration of the model's vegetation parameters is required before an assimilation of MODIS FPAR observations is feasible.

Study for prediction of rotor/wake/fuselage interference. Part 2: Program users guide

NASA Technical Reports Server (NTRS)

Clark, D. R.; Maskew, B.

1985-01-01

A method was developed which permits the fully coupled calculation of fuselage and rotor airloads for typical helicopter configurations in forward flight. To do this, an iterative solution is carried out based on a conventional panel representation of the fuselage and a blade element representation of the rotor where fuselage and rotor singularity strengths are determined simultaneously at each step and the rotor wake is allowed to relax (deform) in response to changes in rotor wake loading and fuselage presence. On completion of the iteration, rotor loading and inflow, fuselage singularity strength (and, hence, pressure and velocity distributions) and rotor wake are all consistent. The results of a fully coupled calculation of the flow around representative helicopter configurations are presented. The effect of fuselage components on the rotor flow field and the overall wake structure is discussed as well as the aerodynamic interference between the different parts of the aircraft. Details of the computer program are given.

Control volume analyses of glottal flow using a fully-coupled numerical fluid-structure interaction model

NASA Astrophysics Data System (ADS)

Yang, Jubiao; Krane, Michael; Zhang, Lucy

2013-11-01

Vocal fold vibrations and the glottal jet are successfully simulated using the modified Immersed Finite Element method (mIFEM), a fully coupled dynamics approach to model fluid-structure interactions. A self-sustained and steady vocal fold vibration is captured given a constant pressure input at the glottal entrance. The flow rates at different axial locations in the glottis are calculated, showing small variations among them due to the vocal fold motion and deformation. To further facilitate the understanding of the phonation process, two control volume analyses, specifically with Bernoulli's equation and Newton's 2nd law, are carried out for the glottal flow based on the simulation results. A generalized Bernoulli's equation is derived to interpret the correlations between the velocity and pressure temporally and spatially along the center line which is a streamline using a half-space model with symmetry boundary condition. A specialized Newton's 2nd law equation is developed and divided into terms to help understand the driving mechanism of the glottal flow.

Improving wind energy forecasts using an Ensemble Kalman Filter data assimilation technique in a fully coupled hydrologic and atmospheric model

NASA Astrophysics Data System (ADS)

Williams, J. L.; Maxwell, R. M.; Delle Monache, L.

2012-12-01

Wind power is rapidly gaining prominence as a major source of renewable energy. Harnessing this promising energy source is challenging because of the chaotic nature of wind and its propensity to change speed and direction over short time scales. Accurate forecasting tools are critical to support the integration of wind energy into power grids and to maximize its impact on renewable energy portfolios. Numerous studies have shown that soil moisture distribution and land surface vegetative processes profoundly influence atmospheric boundary layer development and weather processes on local and regional scales. Using the PF.WRF model, a fully-coupled hydrologic and atmospheric model employing the ParFlow hydrologic model with the Weather Research and Forecasting model coupled via mass and energy fluxes across the land surface, we have explored the connections between the land surface and the atmosphere in terms of land surface energy flux partitioning and coupled variable fields including hydraulic conductivity, soil moisture and wind speed, and demonstrated that reductions in uncertainty in these coupled fields propagate through the hydrologic and atmospheric system. We have adapted the Data Assimilation Research Testbed (DART), an implementation of the robust Ensemble Kalman Filter data assimilation algorithm, to expand our capability to nudge forecasts produced with the PF.WRF model using observational data. Using a semi-idealized simulation domain, we examine the effects of assimilating observations of variables such as wind speed and temperature collected in the atmosphere, and land surface and subsurface observations such as soil moisture on the quality of forecast outputs. The sensitivities we find in this study will enable further studies to optimize observation collection to maximize the utility of the PF.WRF-DART forecasting system.

Impact of groundwater capillary rises as lower boundary conditions for soil moisture in a land surface model

NASA Astrophysics Data System (ADS)

Vergnes, Jean-Pierre; Decharme, Bertrand; Habets, Florence

2014-05-01

Groundwater is a key component of the global hydrological cycle. It sustains base flow in humid climate while it receives seepage in arid region. Moreover, groundwater influences soil moisture through water capillary rise into the soil and potentially affects the energy and water budget between the land surface and the atmosphere. Despite its importance, most global climate models do not account for groundwater and their possible interaction with both the surface hydrology and the overlying atmosphere. This study assesses the impact of capillary rise from shallow groundwater on the simulated water budget over France. The groundwater scheme implemented in the Total Runoff Integrated Pathways (TRIP) river routing model in a previous study is coupled with the Interaction between Soil Biosphere Atmosphere (ISBA) land surface model. In this coupling, the simulated water table depth acts as the lower boundary condition for the soil moisture diffusivity equation. An original parameterization accounting for the subgrid elevation inside each grid cell is proposed in order to compute this fully-coupled soil lower boundary condition. Simulations are performed at high (1/12°) and low (0.5°) resolutions and evaluated over the 1989-2009 period. Compared to a free-drain experiment, upward capillary fluxes at the bottom of soil increase the mean annual evapotranspiration simulated over the aquifer domain by 3.12 % and 1.54 % at fine and low resolutions respectively. This process logically induces a decrease of the simulated recharge from ISBA to the aquifers and contributes to enhance the soil moisture memory. The simulated water table depths are then lowered, which induces a slight decrease of the simulated mean annual river discharges. However, the fully-coupled simulations compare well with river discharge and water table depth observations which confirms the relevance of the coupling formalism.

The application of Biological-Hydraulic coupled model for Tubificidae-microorganism interaction system

NASA Astrophysics Data System (ADS)

Zhong, Xiao; Sun, Peide; Song, Yingqi; Wang, Ruyi; Fang, Zhiguo

2010-11-01

Based on the fully coupled activated sludge model (FCASM), the novel model Tubificidae -Fully Coupled Activated Sludge Model-hydraulic (T-FCASM-Hydro), has been developed in our previous work. T-FCASM-Hydro not only describe the interactive system between Tubificidae and functional microorganisms for the sludge reduction and nutrient removal simultaneously, but also considere the interaction between biological and hydraulic field, After calibration and validation of T-FCASM-Hydro at Zhuji Feida-hongyu Wastewater treatment plant (WWTP) in Zhejiang province, T-FCASM-Hydro was applied for determining optimal operating condition in the WWTP. Simulation results showed that nitrogen and phosphorus could be removed efficiently, and the efficiency of NH4+-N removal enhanced with increase of DO concentration. At a certain low level of DO concentration in the aerobic stage, shortcut nitrification-denitrification dominated in the process of denitrification in the novel system. However, overhigh agitation (>6 mgṡL-1) could result in the unfavorable feeding behavior of Tubificidae because of the strong flow disturbance, which might lead to low rate of sludge reduction. High sludge reduction rate and high removal rate of nitrogen and phosphorus could be obtained in the new-style oxidation ditch when DO concentration at the aerobic stage with Tubificidae was maintained at 3.6 gṡm-3.

Regional and climate forcing on forage fish and apex predators in the California Current: new insights from a fully coupled ecosystem model.

NASA Astrophysics Data System (ADS)

Fiechter, J.; Rose, K.; Curchitser, E. N.; Huckstadt, L. A.; Costa, D. P.; Hedstrom, K.

2016-12-01

A fully coupled ecosystem model is used to describe the impact of regional and climate variability on changes in abundance and distribution of forage fish and apex predators in the California Current Large Marine Ecosystem. The ecosystem model consists of a biogeochemical submodel (NEMURO) embedded in a regional ocean circulation submodel (ROMS), and both coupled with a multi-species individual-based submodel for two forage fish species (sardine and anchovy) and one apex predator (California sea lion). Sardine and anchovy are specifically included in the model as they exhibit significant interannual and decadal variability in population abundances, and are commonly found in the diet of California sea lions. Output from the model demonstrates how regional-scale (i.e., upwelling intensity) and basin-scale (i.e., PDO and ENSO signals) physical processes control species distributions and predator-prey interactions on interannual time scales. The results also illustrate how variability in environmental conditions leads to the formation of seasonal hotspots where prey and predator spatially overlap. While specifically focused on sardine, anchovy and sea lions, the modeling framework presented here can provide new insights into the physical and biological mechanisms controlling trophic interactions in the California Current, or other regions where similar end-to-end ecosystem models may be implemented.

Finite element modeling of acousto-mechanical coupling in the cat middle ear

PubMed Central

Tuck-Lee, James P.; Pinsky, Peter M.; Steele, Charles R.; Puria, Sunil

2008-01-01

The function of the middle ear is to transfer acoustic energy from the ear canal to the cochlea. An essential component of this system is the tympanic membrane. In this paper, a new finite element model of the middle ear of the domestic cat is presented, generated in part from cadaver anatomy via microcomputed tomographic imaging. This model includes a layered composite model of the eardrum, fully coupled with the acoustics in the ear canal and middle-ear cavities. Obtaining the frequency response from 100 Hz to 20 kHz is a computationally challenging task, which has been accomplished by using a new adaptive implementation of the reduced-order matrix Padé-via-Lanczos algorithm. The results are compared to established physiological data. The fully coupled model is applied to study the role of the collagen fiber sublayers of the eardrum and to investigate the relationship between the structure of the middle-ear cavities and its function. Three applications of this model are presented, demonstrating the shift in the middle-ear resonance due to the presence of the septum that divides the middle-ear cavity space, the significance of the radial fiber layer on high frequency transmission, and the importance of the transverse shear modulus in the eardrum microstructure. PMID:18646982

The Sedimentation of Particles under Orthogonal Shear in Viscoelastic Fluids

NASA Astrophysics Data System (ADS)

Murch, William L.; Krishnan, Sreenath; Shaqfeh, Eric S. G.

2016-11-01

Many engineering applications, including oil and gas recovery, require the suspension of particles in viscoelastic fluids during fluid transport and processing. A topic of specific importance involves such particle suspensions experiencing an applied shear flow in a direction perpendicular to gravity (referred to as orthogonal shear). Previously, it has been shown that particle sedimentation coupled with an orthogonal shear flow can reduce the particle settling rate in elastic fluids. The underlying mechanism of this enhanced coupling drag is not fully understood, particularly at finite Weissenberg numbers. This talk examines the role of fluid elasticity on a single, non-Brownian, rigid sphere settling in orthogonal shear using experiments and numerical simulations. New experiments were performed in a Taylor-Couette flow cell using Boger fluids to study the coupling drag as a function of the shear and sedimentation Weissenberg numbers as well as particle confinement. The elastic effect was also studied with fully 3D simulations of flow past a rigid sphere, using the FENE-P constitutive model to describe the polymeric fluid rheology. These simulations show good agreement with the experiments and allow for further insight into the mechanism of elasticity-enhanced drag. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship.

Crack cause analysis of a graphite nozzle throat insert

NASA Astrophysics Data System (ADS)

Sun, Lin; Bao, Futing; Zhao, Yu; Hou, Lian; Hui, Weihua; Zhang, Ning; Shi, Wei

2017-08-01

With an objective to determine the failure cause of a throughout crack at an angle of 45° and a breach during a firing test, a simplified analysis procedure with consideration of the structure gap was established to simulate the thermo-structural response of a nozzle. By neglecting erosion and pyrolysis of the insulating materials and establishing temperature-dependent or anisotropic material models, ANSYS Parameter Design Language codes were written to perform the fully coupled thermal-structural simulation. A Quasi-1D flow was calculated for supplying boundary conditions. Study on mesh independence and time step independence was also conducted to evaluate simulated results. It was found that shortly after ignition, compressive stress in the x direction and tensile stress in the y direction contributed to anomalies. And through contact status analysis, inappropriate gap design was regarded as the origin of the too large stress, which was the primary cause of these anomalies during firing test. Simulation results were in good agreement with firing test results. In addition, the simplified analysis procedure was proven effective. Gap size should be seriously dealt with in the future design.

Developments and Validations of Fully Coupled CFD and Practical Vortex Transport Method for High-Fidelity Wake Modeling in Fixed and Rotary Wing Applications

NASA Technical Reports Server (NTRS)

Anusonti-Inthra, Phuriwat

2010-01-01

A novel Computational Fluid Dynamics (CFD) coupling framework using a conventional Reynolds-Averaged Navier-Stokes (BANS) solver to resolve the near-body flow field and a Particle-based Vorticity Transport Method (PVTM) to predict the evolution of the far field wake is developed, refined, and evaluated for fixed and rotary wing cases. For the rotary wing case, the RANS/PVTM modules are loosely coupled to a Computational Structural Dynamics (CSD) module that provides blade motion and vehicle trim information. The PVTM module is refined by the addition of vortex diffusion, stretching, and reorientation models as well as an efficient memory model. Results from the coupled framework are compared with several experimental data sets (a fixed-wing wind tunnel test and a rotary-wing hover test).

Isotope Induced Proton Ordering in Partially Deuterated Aspirin

NASA Astrophysics Data System (ADS)

Schiebel, P.; Papoular, R. J.; Paulus, W.; Zimmermann, H.; Detken, A.; Haeberlen, U.; Prandl, W.

1999-08-01

We report the nuclear density distribution of partially deuterated aspirin, C8H5O4-CH2D, at 300 and 15 K, as determined by neutron diffraction coupled with maximum entropy method image reconstruction. While fully protonated and fully deuterated methyl groups in aspirin are delocalized at low temperatures due to quantum mechanical tunneling, we provide here direct evidence that in aspirin- CH2D at 15 K the methyl hydrogens are localized, while randomly distributed over three sites at 300 K. This is the first observation by diffraction methods of low-temperature isotopic ordering in condensed matter.

Multiresidue pesticide analysis of tuber and root commodities by QuEchERS extraction and ultra-performance liquid chromatography coupled to tandem mass spectrometry.

PubMed

Garrido Frenich, Antonia; Martín Fernández, María del Mar; Díaz Moreno, Laura; Martínez Vidal, Jose Lúis; López-Gutiérrez, Noelia

2012-01-01

A simple, rapid, and reliable multiresidue method to determine 84 pesticides in potato and carrot samples by ultra-performance liquid chromatography coupled to MS/MS has been developed and fully validated for routine analysis according to ISO/IEC 17025:2005. The method makes use of a buffered Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) sample preparation procedure based on a single extraction with acidified acetonitrile, followed by partitioning with salts. Chromatographic conditions were optimized in order to achieve a rapid separation in the multiple reaction monitoring mode. Performance characteristics of the method, including an estimation of measurement uncertainty using validation data, are reported for both matrixes. Calibration curves were linear from 0.010 to 0.150 mg/kg for most compounds. The LOD and LOQ were 0.006 and 0.010 mg/kg, respectively, except for fluorocloridone, fluquinconazol, and hexitiazox, which were 0.030 and 0.050 mg/kg, respectively. Recoveries obtained were in the range 70-116%, with intraday precision values < or = 20% RSD and interday precision values < or = 25% RSD at two different concentration levels. The overall uncertainty of the method was estimated at two concentrations as being lower than 34% in all cases. The method has been applied to the analysis of 70 vegetable samples, and imidacloprid and linuron were the pesticides most frequently found in potato and carrot commodities, respectively.

Rapid and sensitive analysis of multiple bioactive constituents in tripterygium glycosides tablets using liquid chromatography coupled with time-of-flight mass spectrometry.

PubMed

Su, Meng-xiang; Zhou, Wen-di; Lan, Juan; Di, Bin; Hang, Tai-jun

2015-03-01

A simultaneous determination method based on liquid chromatography coupled with time-of-flight mass spectrometry was developed for the analysis of 11 bioactive constituents in tripterygium glycosides tablets, an immune and inflammatory prescription used in China. The analysis was fully optimized on a 1.8 μm particle size C18 column with linear gradient elution, permitting good separation of the 11 analytes and two internal standards in 21 min. The quantitation of each target constituent was carried out using the narrow window extracted ion chromatograms with a ±l0 ppm extraction window, yielding good linearity (r(2) > 0.996) with a linear range of 10-1000 ng/mL. The limits of quantitation were low ranging from 0.25 to 5.02 ng/mL for the 11 analytes, and the precisions and repeatability were better than 1.6 and 5.3%, respectively. The acceptable recoveries obtained were in the range of 93.4-107.4%. This proposed method was successfully applied to quantify the 11 bioactive constituents in commercial samples produced by nine pharmaceutical manufacturers to profile the quality of these preparations. The overall results demonstrate that the contents of the 11 bioactive constituents in different samples were in great diversity, therefore, the quality, clinical safety, and efficacy of this drug needs further research and evaluation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Making Play Work for Education

ERIC Educational Resources Information Center

Weisberg, Deena Skolnick; Kittredge, Audrey K.; Hirsh-Pasek, Kathy; Golinkoff, Roberta Michnick; Klahr, David

2015-01-01

Children, especially in the preschool years, learn a tremendous amount through play. Research on guided play demonstrates how schools can couple a curriculum-centered preschool program with a developmentally appropriate pedagogical approach to classroom teaching. However, to fully test this claim, we need a clear definition of the term…

Experimental Measurement of Self-Diffusion in a Strongly Coupled Plasma

DTIC Science & Technology

2016-08-04

Killian1 1Department of Physics and Astronomy , Rice University, Houston, Texas 77005, USA 2Theoretical Division, Los Alamos National Laboratory, Los...2] L. Spitzer, Physics of Fully Ionized Gases, Interscience Tracts on Physics and Astronomy (Interscience Publishers, New York, 1962), Vol. 3. [3] L

Feedbacks between Air Pollution and Weather, Part 1: Effects on Weather

EPA Science Inventory

The meteorological predictions of fully coupled air-quality models running in “feedback” versus “nofeedback” simulations were compared against each other as part of Phase 2 of the Air Quality Model Evaluation International Initiative. The model simulations included a “no-feedback...

Acoustofluidic particle dynamics: Beyond the Rayleigh limit.

PubMed

Baasch, Thierry; Dual, Jürg

2018-01-01

In this work a numerical model to calculate the trajectories of multiple acoustically and hydrodynamically interacting spherical particles is presented. The acoustic forces are calculated by solving the fully coupled three-dimensional scattering problem using finite element software. The method is not restricted to single re-scattering events, mono- and dipole radiation, and long wavelengths with respect to the particle diameter, thus expanding current models. High frequency surface acoustic waves have been used in the one cell per well technology to focus individual cells in a two-dimensional wave-field. Sometimes the cells started forming clumps and it was not possible to focus on individual cells. Due to a lack of existing theory, this could not be fully investigated. Here, the authors use the full dynamic simulations to identify limiting factors of the one-cell-per-well technology. At first, the authors demonstrate good agreement of the numerical model with analytical results in the Rayleigh limiting case. A frequency dependent stability exchange between the pressure and velocity was then demonstrated. The numerical formulation presented in this work is relatively general and can be used for a multitude of different high frequency applications. It is a powerful tool in the analysis of microscale acoustofluidic devices and processes.

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Electrochromic properties of poly (1-(phenyl)-2,5-di(2-thienyl)-1H-pyrrole-co-3,4-ethylenedioxy thiophene) and its application in electrochromic devices

NASA Astrophysics Data System (ADS)

Tarkuc, S.; Sahmetlioglu, E.; Tanyeli, C.; Akhmedov, I. M.; Toppare, L.

2008-06-01

Electrochemical copolymerization of 1-(phenyl)-2,5-di(2-thienyl)-1H-pyrrole (PTP) with 3,4-ethylenedioxy thiophene (EDOT) was carried out in acetonitrile (AN)/NaClO4/LiClO4 (0.1 M) solvent-electrolyte couple via potentiodynamic electrolysis. Characterizations of the resulting copolymer were performed via cyclic voltammetry (CV), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and spectroelectrochemical analysis. Spectroelectrochemical analyses show that the copolymer of PTP with EDOT has an electronic band gap (due to π to π∗ transition) of 1.9 eV at 480 nm, with a claret red in the fully reduced form and a blue color in the fully oxidized form. Via kinetic studies, the optical contrast (ΔT %) was found to be 8% for P(PTP-co-EDOT). Results showed that the time required to reach 95% of the ultimate transmittance was 1.7 s for the copolymer. The P(PTP-co-EDOT) film was used to construct a dual type polymer electrochromic device (ECDs) with poly(3,4-ethylenedioxy thiophene) (PEDOT). Spectroelectrochemistry, electrochromic switching and open circuit memory of the device were investigated.

Fully relativistic B-spline R-matrix calculations for electron collisions with xenon

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-05-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. This allows for a detailed and reliable analysis of the resonance structure. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701. [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219. [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479. [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R). [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723. [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715. [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

NASA Astrophysics Data System (ADS)

Pietropolli Charmet, Andrea; Cornaton, Yann

2018-05-01

This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

Fully non-inductive plasma start-up with lower-hybrid waves using the outboard-launch and top-launch antennas on the TST-2 spherical tokamak

NASA Astrophysics Data System (ADS)

Tsujii, Naoto; Takase, Yuichi; Ejiri, Akira; Shinya, Takahiro; Yajima, Satoru; Yamazaki, Hibiki; Togashi, Hiro; Moeller, Charles P.; Roidl, Benedikt; Takahashi, Wataru; Toida, Kazuya; Yoshida, Yusuke

2017-10-01

Removal of the central solenoid is essential to realize an economical spherical tokamak fusion reactor, but non-inductive plasma start-up is a challenge. On the TST-2 spherical tokamak, non-inductive plasma start-up using lower-hybrid (LH) waves has been investigated. Using the capacitively-coupled combline (CCC) antenna installed at the outboard midplane, fully non-inductive plasma current ramp-up up to a quarter of that of the typical Ohmic discharges has been achieved. Although it was desirable to keep the density low during the plasma current ramp-up to avoid the LH density limit, it was recognized that there was a maximum current density that could be carried by a given electron density. Since the density needed to increase as the plasma current was ramped-up, the achievable plasma current was limited by the maximum operational toroidal field of TST-2. The top-launch CCC antenna was installed to access higher density with up-shift of the parallel index of refraction. Numerical analysis of LH current drive with the outboard-launch and top-launch antennas was performed and the results were qualitatively consistent with the experimental observations.

Vibration and aeroelastic analysis of highly flexible HALE aircraft

NASA Astrophysics Data System (ADS)

Chang, Chong-Seok

The highly flexible HALE (High Altitude Long Endurance) aircraft analysis methodology is of interest because early studies indicated that HALE aircraft might have different vibration and aeroelastic characteristics from those of conventional aircraft. Recently the computer code Nonlinear Aeroelastic Trim And Stability of HALE Aircraft (NATASHA) was developed under NASA sponsorship. NATASHA can predict the flight dynamics and aeroelastic behavior for HALE aircraft with a flying wing configuration. Further analysis improvements for NATASHA were required to extend its capability to the ground vibration test (GVT) environment and to both GVT and aeroelastic behavior of HALE aircraft with other configurations. First, the analysis methodology, based on geometrically exact fully intrinsic beam theory, was extended to treat other aircraft cofigurations. Conventional aircraft with flexible fuselage and tail can now be modeled by treating the aircraft as an assembly of beam elements. NATASHA is now applicable to any aircraft cofiguration that can be modeled this way. The intrinsic beam formulation, which is a fundamental structural modeling approach, is now capable of being applying to a structure consisting of multiple beams by relating the virtual displacements and rotations at points where two or more beam elements are connected to each other. Additional aspects are also considered in the analysis such as auxiliary elevator input in the horizontal tail and fuselage aerodynamics. Second, the modeling approach was extended to treat the GVT environment for HALE aircraft, which have highly flexible wings. GVT has its main purpose to provide modal characteristics for model validation. A bungee formulation was developed by the augmented Lagrangian method and coupled to the intrinsic beam formulation for the GVT modeling. After the coupling procedure, the whole formulation cannot be fully intrinsic because the geometric constraint by bungee cords makes the system statically indeterminate. Displacement and rotation variables need to be introduced, but only at points to which bungee cords are attached. Third, because many HALE aircraft are propeller driven, the structural modeling was extended to include an engine/nacelle/propeller system using a two-degree-of-freedom model with pitch and yaw angles. This step was undertaken to predict a dynamic instability called "whirl flutter," which can be exhibited in such HALE aircraft. It can investigate how the nacelle whirling and wing motions affect each other. For simplicity, two fundamental assumptions are made regarding the propeller aerodynamics and inertia matrix of two-bladed propeller system. The propeller airloads are evaluated by the constant approximation which uses the averaged values for one revolution per blade. Periodic side forces and hub moments are evaluated based on how they affect the trim condition determined by the constant approximation. The next assumption is for certain HALE aircraft which can use a two-bladed propeller system. The inertia matrix appears as periodic in time in the governing equations. If the periodic inertia effect is negligible, then the inertia matrix can be replaced by that of equivalent three-bladed propeller system so that the stability analysis can obviate the need for Floquet theory. These new development have been fully integrated into the current version of NATASHA. Finally, a parametric study for representative HALE aircraft is presented to show how the current methodology can be utilized as a unified preliminary analysis tool for the vibration and aeroelastic analysis of highly flexible HALE aircraft.

Spin Order and Phase Transitions in Chains of Polariton Condensates.

PubMed

Ohadi, H; Ramsay, A J; Sigurdsson, H; Del Valle-Inclan Redondo, Y; Tsintzos, S I; Hatzopoulos, Z; Liew, T C H; Shelykh, I A; Rubo, Y G; Savvidis, P G; Baumberg, J J

2017-08-11

We demonstrate that multiply coupled spinor polariton condensates can be optically tuned through a sequence of spin-ordered phases by changing the coupling strength between nearest neighbors. For closed four-condensate chains these phases span from ferromagnetic (FM) to antiferromagnetic (AFM), separated by an unexpected crossover phase. This crossover phase is composed of alternating FM-AFM bonds. For larger eight-condensate chains, we show the critical role of spatial inhomogeneities and demonstrate a scheme to overcome them and prepare any desired spin state. Our observations thus demonstrate a fully controllable nonequilibrium spin lattice.

Incorporation of coupled nonequilibrium chemistry into a two-dimensional nozzle code (SEAGULL)

NASA Technical Reports Server (NTRS)

Ratliff, A. W.

1979-01-01

A two-dimensional multiple shock nozzle code (SEAGULL) was extended to include the effects of finite rate chemistry. The basic code that treats multiple shocks and contact surfaces was fully coupled with a generalized finite rate chemistry and vibrational energy exchange package. The modified code retains all of the original SEAGULL features plus the capability to treat chemical and vibrational nonequilibrium reactions. Any chemical and/or vibrational energy exchange mechanism can be handled as long as thermodynamic data and rate constants are available for all participating species.

Hydrological Modelling of The Guadiana Basin

NASA Astrophysics Data System (ADS)

Conan, C.; Bouraoui, F.; de Marsily, G.; Bidoglio, G.

Increased anthropogenic activities such as agriculture, irrigation, industry, mining, ur- ban water supply and sewage treatment, have created significant environmental prob- lems. To ensure sustainable development of water resources, water managers need new strategies and suitable tools. In particular it is often compulsory that surface wa- ter and groundwater be managed simultaneously both in terms of quantity and quality at catchment scales. To this purpose, a model coupling SWAT (Soil and Water As- sessment Tool) and MODFLOW (Modular 3-D Flow model) was developed. SWAT is a quasi-distributed watershed model with a GIS interface that outlines the sub-basins and stream networks from a Digital Elevation Model (DEM) and calculates daily wa- ter balances from meteorological data, soil and land-use characteristics. The particular advantage of this model, compared to other fully distributed physically based mod- els, is that it requires a small amount of readily available input data. MODFLOW is a fully distributed model that calculates groundwater flow from aquifer characteris- tics. We have adapted this new coupled model SWAT-MODFLOW to a Mediterranean catchment, the Guadiana basin, and present the first results of this work. Only wa- ter quantity results are available at this stage. The validation consisted in comparing measured and predicted daily flow at the catchment and sub-catchment outlets for the period 1970-1995. The model accurately reproduced the decrease of the piezometric level, due to increased water abstraction, and the exchanges between surface water and ground-water. The sensitivity of the model to irrigation practices was evaluated. The usefulness of this model as a management tool has been illustrated through the analysis of alternative scenarios of agricultural practices and climate change.

An Assessment of Some Design Constraints on Heat Production of a 3D Conceptual EGS Model Using an Open-Source Geothermal Reservoir Simulation Code

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

Yidong Xia; Mitch Plummer; Robert Podgorney

2016-02-01

Performance of heat production process over a 30-year period is assessed in a conceptual EGS model with a geothermal gradient of 65K per km depth in the reservoir. Water is circulated through a pair of parallel wells connected by a set of single large wing fractures. The results indicate that the desirable output electric power rate and lifespan could be obtained under suitable material properties and system parameters. A sensitivity analysis on some design constraints and operation parameters indicates that 1) the fracture horizontal spacing has profound effect on the long-term performance of heat production, 2) the downward deviation anglemore » for the parallel doublet wells may help overcome the difficulty of vertical drilling to reach a favorable production temperature, and 3) the thermal energy production rate and lifespan has close dependence on water mass flow rate. The results also indicate that the heat production can be improved when the horizontal fracture spacing, well deviation angle, and production flow rate are under reasonable conditions. To conduct the reservoir modeling and simulations, an open-source, finite element based, fully implicit, fully coupled hydrothermal code, namely FALCON, has been developed and used in this work. Compared with most other existing codes that are either closed-source or commercially available in this area, this new open-source code has demonstrated a code development strategy that aims to provide an unparalleled easiness for user-customization and multi-physics coupling. Test results have shown that the FALCON code is able to complete the long-term tests efficiently and accurately, thanks to the state-of-the-art nonlinear and linear solver algorithms implemented in the code.« less

Response of the Antarctic ice sheet to ocean forcing using the POPSICLES coupled ice sheet-ocean model

NASA Astrophysics Data System (ADS)

Martin, D. F.; Asay-Davis, X.; Price, S. F.; Cornford, S. L.; Maltrud, M. E.; Ng, E. G.; Collins, W.

2014-12-01

We present the response of the continental Antarctic ice sheet to sub-shelf-melt forcing derived from POPSICLES simulation results covering the full Antarctic Ice Sheet and the Southern Ocean spanning the period 1990 to 2010. Simulations are performed at 0.1 degree (~5 km) ocean resolution and ice sheet resolution as fine as 500 m using adaptive mesh refinement. A comparison of fully-coupled and comparable standalone ice-sheet model results demonstrates the importance of two-way coupling between the ice sheet and the ocean. The POPSICLES model couples the POP2x ocean model, a modified version of the Parallel Ocean Program (Smith and Gent, 2002), and the BISICLES ice-sheet model (Cornford et al., 2012). BISICLES makes use of adaptive mesh refinement to fully resolve dynamically-important regions like grounding lines and employs a momentum balance similar to the vertically-integrated formulation of Schoof and Hindmarsh (2009). Results of BISICLES simulations have compared favorably to comparable simulations with a Stokes momentum balance in both idealized tests like MISMIP3D (Pattyn et al., 2013) and realistic configurations (Favier et al. 2014). POP2x includes sub-ice-shelf circulation using partial top cells (Losch, 2008) and boundary layer physics following Holland and Jenkins (1999), Jenkins (2001), and Jenkins et al. (2010). Standalone POP2x output compares well with standard ice-ocean test cases (e.g., ISOMIP; Losch, 2008) and other continental-scale simulations and melt-rate observations (Kimura et al., 2013; Rignot et al., 2013). A companion presentation, "Present-day circum-Antarctic simulations using the POPSICLES coupled land ice-ocean model" in session C027 describes the ocean-model perspective of this work, while we focus on the response of the ice sheet and on details of the model. The figure shows the BISICLES-computed vertically-integrated ice velocity field about 1 month into a 20-year coupled Antarctic run. Groundling lines are shown in green.

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

Yung, Matthew M.; Stanton, Alexander R.; Iisa, Kristiina

Metal-impregnated (Ni or Ga) ZSM-5 catalysts were studied for biomass pyrolysis vapor upgrading to produce hydrocarbons using three reactors constituting a 100 000x change in the amount of catalyst used in experiments. Catalysts were screened for pyrolysis vapor phase upgrading activity in two small-scale reactors: (i) a Pyroprobe with a 10 mg catalyst in a fixed bed and (ii) a fixed-bed reactor with 500 mg of catalyst. The best performing catalysts were then validated with a larger scale fluidized-bed reactor (using ~1 kg of catalyst) that produced measurable quantities of bio-oil for analysis and evaluation of mass balances. Despite somemore » inherent differences across the reactor systems (such as residence time, reactor type, analytical techniques, mode of catalyst and biomass feed) there was good agreement of reaction results for production of aromatic hydrocarbons, light gases, and coke deposition. Relative to ZSM-5, Ni or Ga addition to ZSM-5 increased production of fully deoxygenated aromatic hydrocarbons and light gases. In the fluidized bed reactor, Ga/ZSM-5 slightly enhanced carbon efficiency to condensed oil, which includes oxygenates in addition to aromatic hydrocarbons, and reduced oil oxygen content compared to ZSM-5. Ni/ZSM-5, while giving the highest yield of fully deoxygenated aromatic hydrocarbons, gave lower overall carbon efficiency to oil but with the lowest oxygen content. Reaction product analysis coupled with fresh and spent catalyst characterization indicated that the improved performance of Ni/ZSM-5 is related to decreasing deactivation by coking, which keeps the active acid sites accessible for the deoxygenation and aromatization reactions that produce fully deoxygenated aromatic hydrocarbons. The addition of Ga enhances the dehydrogenation activity of the catalyst, which leads to enhanced olefin formation and higher fully deoxygenated aromatic hydrocarbon yields compared to unmodified ZSM-5. Catalyst characterization by ammonia temperature programmed desorption, surface area measurements, and postreaction temperature-programmed oxidation (TPO) also showed that the metal-modified zeolites retained a greater percentage of their initial acidity and surface area, which was consistent between the reactor scales. These results demonstrate that the trends observed with smaller (milligram to gram) catalyst reactors are applicable to larger, more industrially relevant (kg) scales to help guide catalyst research toward application.« less

Quantitative determination of opioids in whole blood using fully automated dried blood spot desorption coupled to on-line SPE-LC-MS/MS.

PubMed

Verplaetse, Ruth; Henion, Jack

2016-01-01

Opioids are well known, widely used painkillers. Increased stability of opioids in the dried blood spot (DBS) matrix compared to blood/plasma has been described. Other benefits provided by DBS techniques include point-of-care collection, less invasive micro sampling, more economical shipment, and convenient storage. Current methodology for analysis of micro whole blood samples for opioids is limited to the classical DBS workflow, including tedious manual punching of the DBS cards followed by extraction and liquid chromatography-tandem mass spectrometry (LC-MS/MS) bioanalysis. The goal of this study was to develop and validate a fully automated on-line sample preparation procedure for the analysis of DBS micro samples relevant to the detection of opioids in finger prick blood. To this end, automated flow-through elution of DBS cards was followed by on-line solid-phase extraction (SPE) and analysis by LC-MS/MS. Selective, sensitive, accurate, and reproducible quantitation of five representative opioids in human blood at sub-therapeutic, therapeutic, and toxic levels was achieved. The range of reliable response (R(2)  ≥0.997) was 1 to 500 ng/mL whole blood for morphine, codeine, oxycodone, hydrocodone; and 0.1 to 50 ng/mL for fentanyl. Inter-day, intra-day, and matrix inter-lot accuracy and precision was less than 15% (even at lower limits of quantitation (LLOQ) level). The method was successfully used to measure hydrocodone and its major metabolite norhydrocodone in incurred human samples. Our data support the enormous potential of DBS sampling and automated analysis for monitoring opioids as well as other pharmaceuticals in both anti-doping and pain management regimens. Copyright © 2015 John Wiley & Sons, Ltd.

The Shale Hills Sensorium for Embedded Sensors, Simulation, & Visualization: A Prototype for Land-Vegetation-Atmosphere Interactions

NASA Astrophysics Data System (ADS)

Duffy, C.

2008-12-01

The future of environmental observing systems will utilize embedded sensor networks with continuous real- time measurement of hydrologic, atmospheric, biogeochemical, and ecological variables across diverse terrestrial environments. Embedded environmental sensors, benefitting from advances in information sciences, networking technology, materials science, computing capacity, and data synthesis methods, are undergoing revolutionary change. It is now possible to field spatially-distributed, multi-node sensor networks that provide density and spatial coverage previously accessible only via numerical simulation. At the same time, computational tools are advancing rapidly to the point where it is now possible to simulate the physical processes controlling individual parcels of water and solutes through the complete terrestrial water cycle. Our goal for the Penn State Critical Zone Observatory is to apply environmental sensor arrays, integrated hydrologic models, and state-of-the-art visualization deployed and coordinated at a testbed within the Penn State Experimental Forest. The Shale Hills Hydro_Sensorium prototype proposed here is designed to observe land-atmosphere interactions in four-dimensional (space and time). The term Hydro_Sensorium implies the totality of physical sensors, models and visualization tools that allow us to perceive the detailed space and time complexities of the water and energy cycle for a watershed or river basin for all physical states and fluxes (groundwater, soil moisture, temperature, streamflow, latent heat, snowmelt, chemistry, isotopes etc.). This research will ultimately catalyze the study of complex interactions between the land surface, subsurface, biological and atmospheric systems over a broad range of scales. The sensor array would be real-time and fully controllable by remote users for "computational steering" and data fusion. Presently fully-coupled physical models are being developed that link the atmosphere-land-vegetation-subsurface system into a fully-coupled distributed system. During the last 5 years the Penn State Integrated Hydrologic Modeling System has been under development as an open-source community modeling project funded by NSF EAR/GEO and NSF CBET/ENG. PIHM represents a strategy for the formulation and solution of fully-coupled process equations at the watershed and river basin scales, and includes a tightly coupled GIS tool for data handling, domain decomposition, optimal unstructured grid generation, and model parameterization. The sensor and simulation system has the following elements: 1) extensive, spatially-distributed, non- invasive, smart sensor networks to gather massive geologic, hydrologic, and geochemical data; 2) stochastic information fusion methods; 3) spatially-explicit multiphysics models/solutions of the land-vegetation- atmosphere system; and 4) asynchronous, parallel/distributed, adaptive algorithms for rapidly simulating the states of a basin at high resolution, 5) signal processing tools for data mining and parameter estimation, and 6) visualization tools. The prototype proposed sensor array and simulation system proposed here will offer a coherent new approach to environmental predictions with a fully integrated observing system design. We expect that the Shale Hills Hydro_Sensorium may provide the needed synthesis of information and conceptualization necessary to advance predictive understanding in complex hydrologic systems.

A strategy to couple the material point method (MPM) and smoothed particle hydrodynamics (SPH) computational techniques

NASA Astrophysics Data System (ADS)

Raymond, Samuel J.; Jones, Bruce; Williams, John R.

2018-01-01

A strategy is introduced to allow coupling of the material point method (MPM) and smoothed particle hydrodynamics (SPH) for numerical simulations. This new strategy partitions the domain into SPH and MPM regions, particles carry all state variables and as such no special treatment is required for the transition between regions. The aim of this work is to derive and validate the coupling methodology between MPM and SPH. Such coupling allows for general boundary conditions to be used in an SPH simulation without further augmentation. Additionally, as SPH is a purely particle method, and MPM is a combination of particles and a mesh. This coupling also permits a smooth transition from particle methods to mesh methods, where further coupling to mesh methods could in future provide an effective farfield boundary treatment for the SPH method. The coupling technique is introduced and described alongside a number of simulations in 1D and 2D to validate and contextualize the potential of using these two methods in a single simulation. The strategy shown here is capable of fully coupling the two methods without any complicated algorithms to transform information from one method to another.

A partially coupled, fraction-by-fraction modelling approach to the subsurface migration of gasoline spills

NASA Astrophysics Data System (ADS)

Fagerlund, F.; Niemi, A.

2007-01-01

The subsurface spreading behaviour of gasoline, as well as several other common soil- and groundwater pollutants (e.g. diesel, creosote), is complicated by the fact that it is a mixture of hundreds of different constituents, behaving differently with respect to e.g. dissolution, volatilisation, adsorption and biodegradation. Especially for scenarios where the non-aqueous phase liquid (NAPL) phase is highly mobile, such as for sudden spills in connection with accidents, it is necessary to simultaneously analyse the migration of the NAPL and its individual components in order to assess risks and environmental impacts. Although a few fully coupled, multi-phase, multi-constituent models exist, such models are highly complex and may be time consuming to use. A new, somewhat simplified methodology for modelling the subsurface migration of gasoline while taking its multi-constituent nature into account is therefore introduced here. Constituents with similar properties are grouped together into eight fractions. The migration of each fraction in the aqueous and gaseous phases as well as adsorption is modelled separately using a single-constituent multi-phase flow model, while the movement of the free-phase gasoline is essentially the same for all fractions. The modelling is done stepwise to allow updating of the free-phase gasoline composition at certain time intervals. The output is the concentration of the eight different fractions in the aqueous, gaseous, free gasoline and solid phases with time. The approach is evaluated by comparing it to a fully coupled multi-phase, multi-constituent numerical simulator in the modelling of a typical accident-type spill scenario, based on a tanker accident in northern Sweden. Here the PCFF method produces results similar to those of the more sophisticated, fully coupled model. The benefit of the method is that it is easy to use and can be applied to any single-constituent multi-phase numerical simulator, which in turn may have different strengths in incorporating various processes. The results demonstrate that the different fractions have significantly different migration behaviours and although the methodology involves some simplifications, it is a considerable improvement compared to modelling the gasoline constituents completely individually or as one single mixture.

The thermochemical, two-phase dynamics of subduction zones: results from new, fully coupled models

NASA Astrophysics Data System (ADS)

Rees Jones, D. W.; Katz, R. F.; May, D.; Tian, M.; Rudge, J. F.

2017-12-01

Subduction zones are responsible for most of Earth's subaerial volcanism. However, previous geodynamic modelling of subduction zones has largely neglected magmatism. We previously showed that magmatism has a significant thermal impact, by advecting sensible heat into the lithosphere beneath arc volcanos [1]. Inclusion of this effect helps reconcile subduction zone models with petrological and heat flow observations. Many important questions remain, including how magma-mantle dynamics of subduction zones affects the position of arc volcanos and the character of their lavas. In this presentation, we employ a fully coupled, thermochemical, two-phase flow theory to investigate the dynamics of subduction zones. We present the first results from our new software (SubFUSc), which solves the coupled equations governing conservation of mass, momentum, energy and chemical species. The presence and migration of partial melts affect permeability and mantle viscosity (both directly and through their thermal impact); these, in turn, feed back on the magma-mantle flow. Thus our fully coupled modelling improves upon previous two-phase models that decoupled the governing equations and fixed the thermal structure [2]. To capture phase change, we use a novel, simplified model of the mantle melting in the presence of volatile species. As in the natural system, volatiles are associated with low-degree melting at temperatures beneath the anhydrous solidus; dehydration reactions in the slab supply volatiles into the wedge, triggering silicic melting. We simulate the migration of melts under buoyancy forces and dynamic pressure gradients. We thereby demonstrate the dynamical controls on the pattern of subduction-zone volcanism (particularly its location, magnitude, and chemical composition). We build on our previous study of the thermal consequences of magma genesis and segregation. We address the question of what controls the location of arc volcanoes themselves [3]. [1] Rees Jones, D. W., Katz, R. F., Tian, M and Rudge, J. F. (2017). Thermal impact of magmatism in subduction zones. arxiv.org/abs/1701.02550 [2] Wilson, C. R., Spiegelman, M., van Keken, P. E., & Hacker, B. R. (2014). EPSL, doi:10.1016/j.epsl.2014.05.052 [3] England, P. C., Katz, Richard F. (2010). Nature, doi:10.1038/nature09417

Theory of electric creep and electromechanical coupling with domain evolution for non-poled and fully poled ferroelectric ceramics

PubMed Central

Xia, Xiaodong; Wang, Yang; Zhong, Zheng

2016-01-01

Unlike mechanical creep with inelastic deformation, electric creep with domain evolution is a rarely studied subject. In this paper, we present a theory of electric creep and related electromechanical coupling for both non-poled and fully poled ferroelectric ceramics. We consider electric creep to be a time-dependent process, with an initial condition lying on the D (electric displacement) versus E (electric field) hysteresis loop. Both processes are shown to share the same Gibbs free energy and thermodynamic driving force, but relative to creep, the hysteresis loop is just a field-dependent process. With this view, we develop a theory with a single thermodynamic driving force but with two separate kinetic equations, one for the field-dependent loops in terms of a Lorentzian-like function and the other for the time-dependent D in terms of a dissipation potential. We use the 0°–90° and then 90°–180° switches to attain these goals. It is demonstrated that the calculated results are in broad agreement with two sets of experiments, one for a non-poled PIC-151 and the other for a fully poled PZT-5A. The theory also shows that creep polarization tends to reach a saturation state with time and that the saturated polarization has its maximum at the coercive field. PMID:27843406

Coupled numerical modeling of gas hydrates bearing sediments from laboratory to field-scale conditions

NASA Astrophysics Data System (ADS)

Sanchez, M. J.; Santamarina, C.; Gai, X., Sr.; Teymouri, M., Sr.

2017-12-01

Stability and behavior of Hydrate Bearing Sediments (HBS) are characterized by the metastable character of the gas hydrate structure which strongly depends on thermo-hydro-chemo-mechanical (THCM) actions. Hydrate formation, dissociation and methane production from hydrate bearing sediments are coupled THCM processes that involve, amongst other, exothermic formation and endothermic dissociation of hydrate and ice phases, mixed fluid flow and large changes in fluid pressure. The analysis of available data from past field and laboratory experiments, and the optimization of future field production studies require a formal and robust numerical framework able to capture the very complex behavior of this type of soil. A comprehensive fully coupled THCM formulation has been developed and implemented into a finite element code to tackle problems involving gas hydrates sediments. Special attention is paid to the geomechanical behavior of HBS, and particularly to their response upon hydrate dissociation under loading. The numerical framework has been validated against recent experiments conducted under controlled conditions in the laboratory that challenge the proposed approach and highlight the complex interaction among THCM processes in HBS. The performance of the models in these case studies is highly satisfactory. Finally, the numerical code is applied to analyze the behavior of gas hydrate soils under field-scale conditions exploring different features of material behavior under possible reservoir conditions.

Reproducible, Component-based Modeling with TopoFlow, A Spatial Hydrologic Modeling Toolkit

DOE PAGES

Peckham, Scott D.; Stoica, Maria; Jafarov, Elchin; ...

2017-04-26

Modern geoscientists have online access to an abundance of different data sets and models, but these resources differ from each other in myriad ways and this heterogeneity works against interoperability as well as reproducibility. The purpose of this paper is to illustrate the main issues and some best practices for addressing the challenge of reproducible science in the context of a relatively simple hydrologic modeling study for a small Arctic watershed near Fairbanks, Alaska. This study requires several different types of input data in addition to several, coupled model components. All data sets, model components and processing scripts (e.g. formore » preparation of data and figures, and for analysis of model output) are fully documented and made available online at persistent URLs. Similarly, all source code for the models and scripts is open-source, version controlled and made available online via GitHub. Each model component has a Basic Model Interface (BMI) to simplify coupling and its own HTML help page that includes a list of all equations and variables used. The set of all model components (TopoFlow) has also been made available as a Python package for easy installation. Three different graphical user interfaces for setting up TopoFlow runs are described, including one that allows model components to run and be coupled as web services.« less

Reproducible, Component-based Modeling with TopoFlow, A Spatial Hydrologic Modeling Toolkit

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

Peckham, Scott D.; Stoica, Maria; Jafarov, Elchin

Modern geoscientists have online access to an abundance of different data sets and models, but these resources differ from each other in myriad ways and this heterogeneity works against interoperability as well as reproducibility. The purpose of this paper is to illustrate the main issues and some best practices for addressing the challenge of reproducible science in the context of a relatively simple hydrologic modeling study for a small Arctic watershed near Fairbanks, Alaska. This study requires several different types of input data in addition to several, coupled model components. All data sets, model components and processing scripts (e.g. formore » preparation of data and figures, and for analysis of model output) are fully documented and made available online at persistent URLs. Similarly, all source code for the models and scripts is open-source, version controlled and made available online via GitHub. Each model component has a Basic Model Interface (BMI) to simplify coupling and its own HTML help page that includes a list of all equations and variables used. The set of all model components (TopoFlow) has also been made available as a Python package for easy installation. Three different graphical user interfaces for setting up TopoFlow runs are described, including one that allows model components to run and be coupled as web services.« less

Simulating Heinrich events in a coupled atmosphere-ocean-ice sheet model

NASA Astrophysics Data System (ADS)

Mikolajewicz, Uwe; Ziemen, Florian

2016-04-01

Heinrich events are among the most prominent events of long-term climate variability recorded in proxies across the northern hemisphere. They are the archetype of ice sheet - climate interactions on millennial time scales. Nevertheless, the exact mechanisms that cause Heinrich events are still under discussion, and their climatic consequences are far from being fully understood. We contribute to answering the open questions by studying Heinrich events in a coupled ice sheet model (ISM) atmosphere-ocean-vegetation general circulation model (AOVGCM) framework, where this variability occurs as part of the model generated internal variability without the need to prescribe external perturbations, as was the standard approach in almost all model studies so far. The setup consists of a northern hemisphere setup of the modified Parallel Ice Sheet Model (mPISM) coupled to the global coarse resolution AOVGCM ECHAM5/MPIOM/LPJ. The simulations used for this analysis were an ensemble covering substantial parts of the late Glacial forced with transient insolation and prescribed atmospheric greenhouse gas concentrations. The modeled Heinrich events show a marked influence of the ice discharge on the Atlantic circulation and heat transport, but none of the Heinrich events during the Glacial did show a complete collapse of the North Atlantic meridional overturning circulation. The simulated main consequences of the Heinrich events are a freshening and cooling over the North Atlantic and a drying over northern Europe.

Comment on Y.-H. Hsu et al., "electrical and mechanical fully coupled theory and experimental verification of Rosen-type piezoelectric transformers" [see reference [1

PubMed

Yang, Jiashi

2007-04-01

This letter discusses the difference between piezoelectric constitutive relations for the case of one-dimensional stress and the case of one-dimensional strain, and its implications in the modeling of Rosen piezoelectric transformers.

Laplace Boundary-Value Problem in Paraboloidal Coordinates

ERIC Educational Resources Information Center

Duggen, L.; Willatzen, M.; Voon, L. C. Lew Yan

2012-01-01

This paper illustrates both a problem in mathematical physics, whereby the method of separation of variables, while applicable, leads to three ordinary differential equations that remain fully coupled via two separation constants and a five-term recurrence relation for series solutions, and an exactly solvable problem in electrostatics, as a…

Abaqus Simulations of Rock Response to Dynamic Loading

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

Steedman, David W.; Coblentz, David

The LANL Geodynamics Team has been applying Abaqus modeling to achieve increasingly complex simulations. Advancements in Abaqus model building and simulation tools allows this progress. We use Lab-developed constitutive models, the fully coupled CEL Abaqus and general contact to simulate response of realistic sites to explosively driven shock.

A Caregiving Model of Coping with a Partner's Depression

ERIC Educational Resources Information Center

Jeglic, Elizabeth L.; Pepper, Carolyn M.; Ryabchenko, Karen A.; Griffith, James W.; Miller, Allison B.; Johnson, Matthew D.

2005-01-01

To test a caregiving model of depression in spouses, 31 married couples completed interview and questionnaire assessments of depressive symptoms and caregiving activities. Spouses living with a partner with depressive symptoms had more symptoms of depression themselves. However, this association was found to be fully mediated by spouses' perceived…

Feedbacks between Air Pollution and Weather, Part 2: Effects on Chemistry.

EPA Science Inventory

Fully-coupled air-quality models running in “feedback” and “no-feedback” configurations were compared against each other and observation network data as part of Phase 2 of the Air Quality Model Evaluation International Initiative. In the “no-feedback” mode, interactions between m...

Synthetic Progress toward Azadirachtins. 2. Enantio- and Diastereoselective Synthesis of the Right-Wing Fragment of 11-epi-Azadirachtin I.

PubMed

Tan, Ceheng; Chen, Wei; Mu, Xinpeng; Chen, Qi; Gong, Jianxian; Luo, Tuoping; Yang, Zhen

2015-05-15

A stereoselective three-component coupling reaction of allylzinc bromide, silyl glyoxylate, and a β-lactone has been developed. This has been successfully applied to the enantio- and diastereoselective synthesis of the fully functionalized furopyran moiety of azadirachtins.

Dynamic evaluation of two decades of WRF-CMAQ ozone simulations over the contiguous United States

EPA Science Inventory

Dynamic evaluation of the fully coupled Weather Research and Forecasting (WRF)– Community Multi-scale Air Quality (CMAQ) model ozone simulations over the contiguous United States (CONUS) using two decades of simulations covering the period from 1990 to 2010 is conducted to ...

Dynamic evaluation of two decades of WRF-CMAQ ozone simulations over the contiguous United States

EPA Science Inventory

Dynamic evaluation of the fully coupled Weather Research and Forecasting (WRF)– Community Multi-scale Air Quality (CMAQ) model ozone simulations over the contiguous United States (CONUS) using two decades of simulations covering the period from 1990 to 2010 is conducted to assess...

Lipid Catabolism Fuels Drosophila Gut Immunity.

PubMed

Masuzzo, Ambra; Royet, Julien

2018-03-14

Immune responses and metabolic regulation are tightly coupled in animals, but the underlying mechanistic connections are not fully understood. In this issue of Cell Host & Microbe, Lee et al. (2018) reveal how sustained ROS production in the gut depends on an upstream metabolic switch. Copyright © 2018 Elsevier Inc. All rights reserved.

Experimental Verification of Fully Decentralized Control Inspired by Plasmodium of True Slime Mold

NASA Astrophysics Data System (ADS)

Umedachi, Takuya; Takeda, Koichi; Nakagaki, Toshiyuki; Kobayashi, Ryo; Ishiguro, Akio

This paper presents a fully decentralized control inspired by plasmodium of true slime mold and its validity using a soft-bodied amoeboid robot. The notable features of this paper are twofold: (1) the robot has truly soft and deformable body stemming from real-time tunable springs and a balloon, the former is utilized as an outer skin of the body and the latter serves as protoplasm; and (2) a fully decentralized control using coupled oscillators with completely local sensory feedback mechanism is realized by exploiting the long-distance physical interaction between the body parts induced by the law of conservation of protoplasmic mass. Experimental results show that this robot exhibits truly supple locomotion without relying on any hierarchical structure. The results obtained are expected to shed new light on design scheme for autonomous decentralized control system.

A hybrid algorithm for coupling partial differential equation and compartment-based dynamics.

PubMed

Harrison, Jonathan U; Yates, Christian A

2016-09-01

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing particle numbers. An alternative description of many of these systems can be derived in the diffusive limit as a deterministic, continuum system of partial differential equations (PDEs). Although the numerical solution of such PDEs is, in general, much more efficient than the full stochastic simulation, the deterministic continuum description is generally not valid when copy numbers are low and stochastic effects dominate. Therefore, to take advantage of the benefits of both of these types of models, each of which may be appropriate in different parts of a spatial domain, we have developed an algorithm that can be used to couple these two types of model together. This hybrid coupling algorithm uses an overlap region between the two modelling regimes. By coupling fluxes at one end of the interface and using a concentration-matching condition at the other end, we ensure that mass is appropriately transferred between PDE- and compartment-based regimes. Our methodology gives notable reductions in simulation time in comparison with using a fully stochastic model, while maintaining the important stochastic features of the system and providing detail in appropriate areas of the domain. We test our hybrid methodology robustly by applying it to several biologically motivated problems including diffusion and morphogen gradient formation. Our analysis shows that the resulting error is small, unbiased and does not grow over time. © 2016 The Authors.

A hybrid algorithm for coupling partial differential equation and compartment-based dynamics

PubMed Central

Yates, Christian A.

2016-01-01

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction–diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing particle numbers. An alternative description of many of these systems can be derived in the diffusive limit as a deterministic, continuum system of partial differential equations (PDEs). Although the numerical solution of such PDEs is, in general, much more efficient than the full stochastic simulation, the deterministic continuum description is generally not valid when copy numbers are low and stochastic effects dominate. Therefore, to take advantage of the benefits of both of these types of models, each of which may be appropriate in different parts of a spatial domain, we have developed an algorithm that can be used to couple these two types of model together. This hybrid coupling algorithm uses an overlap region between the two modelling regimes. By coupling fluxes at one end of the interface and using a concentration-matching condition at the other end, we ensure that mass is appropriately transferred between PDE- and compartment-based regimes. Our methodology gives notable reductions in simulation time in comparison with using a fully stochastic model, while maintaining the important stochastic features of the system and providing detail in appropriate areas of the domain. We test our hybrid methodology robustly by applying it to several biologically motivated problems including diffusion and morphogen gradient formation. Our analysis shows that the resulting error is small, unbiased and does not grow over time. PMID:27628171

Determination of 20 trace elements and arsenic species for a realgar-containing traditional Chinese medicine Niuhuang Jiedu tablets by direct inductively coupled plasma-mass spectrometry and high performance liquid chromatography-inductively coupled plasma-mass spectrometry.

PubMed

Jin, Pengfei; Liang, Xiaoli; Xia, Lufeng; Jahouh, Farid; Wang, Rong; Kuang, Yongmei; Hu, Xin

2016-01-01

Niuhuang Jiedu tablet (NHJDT) is a realgar-containing traditional Chinese medicine. A direct inductively coupled plasma-mass spectrometry (ICP-MS) method for the simultaneous determination of 20 trace elements (Mg, K, Ca, Na, Fe, As, Zn, Sr, Ba, Cu, Mn, Ni, Pb, V, Cr, Se, Co, Mo, Cd, Hg) in NHJDT, as well as in water, gastric fluid and intestinal fluid was established. Meanwhile, a high performance liquid chromatography-inductively coupled plasma-mass spectrometry (HPLC-ICP-MS) method was developed for the determination of arsenite (As(III)), arsenate (As(V)), monomethylarsonic acid (MMA), dimethylarsinic acid (DMA) and for the identification of arsenobetaine (AsB) and arsenocholine (AsC) in these extracts. Both methods were fully validated in the respect of linearity, sensitivity, precision, stability and accuracy. The reliability of the ICP-MS method was further evaluated using a certified standard reference material prepared from dried tomato leaves (NIST, SRM 1572a). The analysis showed that some manufacturers formulated lower amount of realgar than required in the Chinese Pharmacopoeia (ChP) in their preparations. In addition, almost same extraction profiles for total As and inorganic As were found in water and in gastrointestinal fluids, while higher extraction rates for other 19 elements were observed in gastrointestinal fluids. Our findings show that the toxicities of Hg, Cu, Cd and Pb in NHJDP are low, while the real As toxicity in NHJDT should be deeply investigated. Copyright © 2015 Elsevier GmbH. All rights reserved.

High-brightness 800nm fiber-coupled laser diodes

NASA Astrophysics Data System (ADS)

Berk, Yuri; Levy, Moshe; Rappaport, Noam; Tessler, Renana; Peleg, Ophir; Shamay, Moshe; Yanson, Dan; Klumel, Genadi; Dahan, Nir; Baskin, Ilya; Shkedi, Lior

2014-03-01

Fiber-coupled laser diodes have become essential sources for fiber laser pumping and direct energy applications. Single emitters offer reliable multi-watt output power from a 100 m lateral emission aperture. By their combination and fiber coupling, pump powers up to 100 W can be achieved from a low-NA fiber pigtail. Whilst in the 9xx nm spectral range the single emitter technology is very mature with <10W output per chip, at 800nm the reliable output power from a single emitter is limited to 4 W - 5 W. Consequently, commercially available fiber coupled modules only deliver 5W - 15W at around 800nm, almost an order of magnitude down from the 9xx range pumps. To bridge this gap, we report our advancement in the brightness and reliability of 800nm single emitters. By optimizing the wafer structure, laser cavity and facet passivation process we have demonstrated QCW device operation up to 19W limited by catastrophic optical damage to the 100 μm aperture. In CW operation, the devices reach 14 W output followed by a reversible thermal rollover and a complete device shutdown at high currents, with the performance fully rebounded after cooling. We also report the beam properties of our 800nm single emitters and provide a comparative analysis with the 9xx nm single emitter family. Pump modules integrating several of these emitters with a 105 μm / 0.15 NA delivery fiber reach 35W in CW at 808 nm. We discuss the key opto-mechanical parameters that will enable further brightness scaling of multi-emitter pump modules.

Characterizing the Meso-scale Plasma Flows in Earth's Coupled Magnetosphere-Ionosphere-Thermosphere System

NASA Astrophysics Data System (ADS)

Gabrielse, C.; Nishimura, T.; Lyons, L. R.; Gallardo-Lacourt, B.; Deng, Y.; McWilliams, K. A.; Ruohoniemi, J. M.

2017-12-01

NASA's Heliophysics Decadal Survey put forth several imperative, Key Science Goals. The second goal communicates the urgent need to "Determine the dynamics and coupling of Earth's magnetosphere, ionosphere, and atmosphere and their response to solar and terrestrial inputs...over a range of spatial and temporal scales." Sun-Earth connections (called Space Weather) have strong societal impacts because extreme events can disturb radio communications and satellite operations. The field's current modeling capabilities of such Space Weather phenomena include large-scale, global responses of the Earth's upper atmosphere to various inputs from the Sun, but the meso-scale ( 50-500 km) structures that are much more dynamic and powerful in the coupled system remain uncharacterized. Their influences are thus far poorly understood. We aim to quantify such structures, particularly auroral flows and streamers, in order to create an empirical model of their size, location, speed, and orientation based on activity level (AL index), season, solar cycle (F10.7), interplanetary magnetic field (IMF) inputs, etc. We present a statistical study of meso-scale flow channels in the nightside auroral oval and polar cap using SuperDARN. These results are used to inform global models such as the Global Ionosphere Thermosphere Model (GITM) in order to evaluate the role of meso-scale disturbances on the fully coupled magnetosphere-ionosphere-thermosphere system. Measuring the ionospheric footpoint of magnetospheric fast flows, our analysis technique from the ground also provides a 2D picture of flows and their characteristics during different activity levels that spacecraft alone cannot.

Real-space mapping of the strongly coupled plasmons of nanoparticle dimers.

PubMed

Kim, Deok-Soo; Heo, Jinhwa; Ahn, Sung-Hyun; Han, Sang Woo; Yun, Wan Soo; Kim, Zee Hwan

2009-10-01

We carried out the near-field optical imaging of isolated and dimerized gold nanocubes to directly investigate the strong coupling between two adjacent nanoparticles. The high-resolution (approximately 10 nm) local field maps (intensities and phases) of self-assembled nanocube dimers reveal antisymmetric plasmon modes that are starkly different from a simple superposition of two monomeric dipole plasmons, which is fully reproduced by the electrodynamics simulations. The result decisively proves that, for the closely spaced pair of nanoparticles (interparticle distance/particle size approximately 0.04), the strong Coulombic attraction between the charges at the interparticle gap dominates over the intraparticle charge oscillations, resulting in a hybridized dimer plasmon mode that is qualitatively different from those expected from a simple dipole-dipole coupling model.

The development of an explicit thermochemical nonequilibrium algorithm and its application to compute three dimensional AFE flowfields

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

This study presents a three-dimensional explicit, finite-difference, shock-capturing numerical algorithm applied to viscous hypersonic flows in thermochemical nonequilibrium. The algorithm employs a two-temperature physical model. Equations governing the finite-rate chemical reactions are fully-coupled to the gas dynamic equations using a novel coupling technique. The new coupling method maintains stability in the explicit, finite-rate formulation while allowing relatively large global time steps. The code uses flux-vector accuracy. Comparisons with experimental data and other numerical computations verify the accuracy of the present method. The code is used to compute the three-dimensional flowfield over the Aeroassist Flight Experiment (AFE) vehicle at one of its trajectory points.

Three-dimensional vortex-bright solitons in a spin-orbit-coupled spin-1 condensate

NASA Astrophysics Data System (ADS)

Gautam, Sandeep; Adhikari, S. K.

2018-01-01

We demonstrate stable and metastable vortex-bright solitons in a three-dimensional spin-orbit-coupled three-component hyperfine spin-1 Bose-Einstein condensate (BEC) using numerical solution and variational approximation of a mean-field model. The spin-orbit coupling provides attraction to form vortex-bright solitons in both attractive and repulsive spinor BECs. The ground state of these vortex-bright solitons is axially symmetric for weak polar interaction. For a sufficiently strong ferromagnetic interaction, we observe the emergence of a fully asymmetric vortex-bright soliton as the ground state. We also numerically investigate moving solitons. The present mean-field model is not Galilean invariant, and we use a Galilean-transformed mean-field model for generating the moving solitons.

Effect of Freeze-Thaw Cycles on Soil Nitrogen Reactive Transport in a Polygonal Arctic Tundra Ecosystem at Barrow AK Using 3-D Coupled ALM-PFLOTRAN

NASA Astrophysics Data System (ADS)

Yuan, F.; Wang, G.; Painter, S. L.; Tang, G.; Xu, X.; Kumar, J.; Bisht, G.; Hammond, G. E.; Mills, R. T.; Thornton, P. E.; Wullschleger, S. D.

2017-12-01

In Arctic tundra ecosystem soil freezing-thawing is one of dominant physical processes through which biogeochemical (e.g., carbon and nitrogen) cycles are tightly coupled. Besides hydraulic transport, freezing-thawing can cause pore water movement and aqueous species gradients, which are additional mechanisms for soil nitrogen (N) reactive-transport in Tundra ecosystem. In this study, we have fully coupled an in-development ESM(i.e., Advanced Climate Model for Energy, ACME)'s Land Model (ALM) aboveground processes with a state-of-the-art massively parallel 3-D subsurface thermal-hydrology and reactive transport code, PFLOTRAN. The resulting coupled ALM-PFLOTRAN model is a Land Surface Model (LSM) capable of resolving 3-D soil thermal-hydrological-biogeochemical cycles. This specific version of PFLOTRAN has incorporated CLM-CN Converging Trophic Cascade (CTC) model and a full and simple but robust soil N cycle. It includes absorption-desorption for soil NH4+ and gas dissolving-degasing process as well. It also implements thermal-hydrology mode codes with three newly-modified freezing-thawing algorithms which can greatly improve computing performance in regarding to numerical stiffness at freezing-point. Here we tested the model in fully 3-D coupled mode at the Next Generation Ecosystem Experiment-Arctic (NGEE-Arctic) field intensive study site at the Barrow Environmental Observatory (BEO), AK. The simulations show that: (1) synchronous coupling of soil thermal-hydrology and biogeochemistry in 3-D can greatly impact ecosystem dynamics across polygonal tundra landscape; and (2) freezing-thawing cycles can add more complexity to the system, resulting in greater mobility of soil N vertically and laterally, depending upon local micro-topography. As a preliminary experiment, the model is also implemented for Pan-Arctic region in 1-D column mode (i.e. no lateral connection), showing significant differences compared to stand-alone ALM. The developed ALM-PFLOTRAN coupling codes embeded within ESM will be used for Pan-Arctic regional evaluation of climate change-caused ecosystem responses and their feedbacks to climate system at various scales.

Assessing Fan Flutter Stability in the Presence of Inlet Distortion Using One-way and Two-way Coupled Methods

NASA Technical Reports Server (NTRS)

Herrick, Gregory P.

2014-01-01

Concerns regarding noise, propulsive efficiency, and fuel burn are inspiring aircraft designs wherein the propulsive turbomachines are partially (or fully)embedded within the airframe; such designs present serious concerns with regard to aerodynamic and aeromechanic performance of the compression system in response to inlet distortion. Previously, a preliminary design of a forward-swept high-speed fan exhibited flutter concerns in clean-inlet flows, and the present author then studied this fan further in the presence of off-design distorted in-flows. A three-dimensional, unsteady, Navier-Stokes computational fluid dynamics code is applied to analyze and corroborate fan performance with clean inlet flow. This code, already validated in its application to assess aerodynamic damping of vibrating blades at various flow conditions using a loosely-coupled approach, is modified to include a tightly-coupled aeroelastic simulation capability, and then loosely-coupled and tightly-coupled methods arecompared in their evaluation of flutter stability in distorted in-flows.

Mouse rods signal through gap junctions with cones.

PubMed

Asteriti, Sabrina; Gargini, Claudia; Cangiano, Lorenzo

2014-01-01

Rod and cone photoreceptors are coupled by gap junctions (GJs), relatively large channels able to mediate both electrical and molecular communication. Despite their critical location in our visual system and evidence that they are dynamically gated for dark/light adaptation, the full impact that rod-cone GJs can have on cone function is not known. We recorded the photovoltage of mouse cones and found that the initial level of rod input increased spontaneously after obtaining intracellular access. This process allowed us to explore the underlying coupling capacity to rods, revealing that fully coupled cones acquire a striking rod-like phenotype. Calcium, a candidate mediator of the coupling process, does not appear to be involved on the cone side of the junctional channels. Our findings show that the anatomical substrate is adequate for rod-cone coupling to play an important role in vision and, possibly, in biochemical signaling among photoreceptors. DOI: http://dx.doi.org/10.7554/eLife.01386.001.

Mouse rods signal through gap junctions with cones

PubMed Central

Asteriti, Sabrina; Gargini, Claudia; Cangiano, Lorenzo

2014-01-01

Rod and cone photoreceptors are coupled by gap junctions (GJs), relatively large channels able to mediate both electrical and molecular communication. Despite their critical location in our visual system and evidence that they are dynamically gated for dark/light adaptation, the full impact that rod–cone GJs can have on cone function is not known. We recorded the photovoltage of mouse cones and found that the initial level of rod input increased spontaneously after obtaining intracellular access. This process allowed us to explore the underlying coupling capacity to rods, revealing that fully coupled cones acquire a striking rod-like phenotype. Calcium, a candidate mediator of the coupling process, does not appear to be involved on the cone side of the junctional channels. Our findings show that the anatomical substrate is adequate for rod–cone coupling to play an important role in vision and, possibly, in biochemical signaling among photoreceptors. DOI: http://dx.doi.org/10.7554/eLife.01386.001 PMID:24399457

Modal resonant dynamics of cables with a flexible support: A modulated diffraction problem

NASA Astrophysics Data System (ADS)

Guo, Tieding; Kang, Houjun; Wang, Lianhua; Liu, Qijian; Zhao, Yueyu

2018-06-01

Modal resonant dynamics of cables with a flexible support is defined as a modulated (wave) diffraction problem, and investigated by asymptotic expansions of the cable-support coupled system. The support-cable mass ratio, which is usually very large, turns out to be the key parameter for characterizing cable-support dynamic interactions. By treating the mass ratio's inverse as a small perturbation parameter and scaling the cable tension properly, both cable's modal resonant dynamics and the flexible support dynamics are asymptotically reduced by using multiple scale expansions, leading finally to a reduced cable-support coupled model (i.e., on a slow time scale). After numerical validations of the reduced coupled model, cable-support coupled responses and the flexible support induced coupling effects on the cable, are both fully investigated, based upon the reduced model. More explicitly, the dynamic effects on the cable's nonlinear frequency and force responses, caused by the support-cable mass ratio, the resonant detuning parameter and the support damping, are carefully evaluated.

Small Animal Retinal Imaging

NASA Astrophysics Data System (ADS)

Choi, WooJhon; Drexler, Wolfgang; Fujimoto, James G.

Developing and validating new techniques and methods for small animal imaging is an important research area because there are many small animal models of retinal diseases such as diabetic retinopathy, age-related macular degeneration, and glaucoma [1-6]. Because the retina is a multilayered structure with distinct abnormalities occurring in different intraretinal layers at different stages of disease progression, there is a need for imaging techniques that enable visualization of these layers individually at different time points. Although postmortem histology and ultrastructural analysis can be performed for investigating microscopic changes in the retina in small animal models, this requires sacrificing animals, which makes repeated assessment of the same animal at different time points impossible and increases the number of animals required. Furthermore, some retinal processes such as neurovascular coupling cannot be fully characterized postmortem.

Wideband analytical equivalent circuit for one-dimensional periodic stacked arrays.

PubMed

Molero, Carlos; Rodríguez-Berral, Raúl; Mesa, Francisco; Medina, Francisco; Yakovlev, Alexander B

2016-01-01

A wideband equivalent circuit is proposed for the accurate analysis of scattering from a set of stacked slit gratings illuminated by a plane wave with transverse magnetic or electric polarization that impinges normally or obliquely along one of the principal planes of the structure. The slit gratings are printed on dielectric slabs of arbitrary thickness, including the case of closely spaced gratings that interact by higher-order modes. A Π-circuit topology is obtained for a pair of coupled arrays, with fully analytical expressions for all the circuit elements. This equivalent Π circuit is employed as the basis to derive the equivalent circuit of finite stacks with any given number of gratings. Analytical expressions for the Brillouin diagram and the Bloch impedance are also obtained for infinite periodic stacks.

Mixed-effects varying-coefficient model with skewed distribution coupled with cause-specific varying-coefficient hazard model with random-effects for longitudinal-competing risks data analysis.

PubMed

Lu, Tao; Wang, Min; Liu, Guangying; Dong, Guang-Hui; Qian, Feng

2016-01-01

It is well known that there is strong relationship between HIV viral load and CD4 cell counts in AIDS studies. However, the relationship between them changes during the course of treatment and may vary among individuals. During treatments, some individuals may experience terminal events such as death. Because the terminal event may be related to the individual's viral load measurements, the terminal mechanism is non-ignorable. Furthermore, there exists competing risks from multiple types of events, such as AIDS-related death and other death. Most joint models for the analysis of longitudinal-survival data developed in literatures have focused on constant coefficients and assume symmetric distribution for the endpoints, which does not meet the needs for investigating the nature of varying relationship between HIV viral load and CD4 cell counts in practice. We develop a mixed-effects varying-coefficient model with skewed distribution coupled with cause-specific varying-coefficient hazard model with random-effects to deal with varying relationship between the two endpoints for longitudinal-competing risks survival data. A fully Bayesian inference procedure is established to estimate parameters in the joint model. The proposed method is applied to a multicenter AIDS cohort study. Various scenarios-based potential models that account for partial data features are compared. Some interesting findings are presented.

Evaluation and routine application of the novel restricted-access precolumn packing material Alkyl-Diol Silica: coupled-column high-performance liquid chromatographic analysis of the photoreactive drug 8-methoxypsoralen in plasma.

PubMed

Vielhauer, S; Rudolphi, A; Boos, K S; Seidel, D

1995-04-21

A fully automated coupled-column HPLC method for on-line sample processing and determination of the photoreactive drug 8-methoxypsoralen (8-MOP) in plasma has been developed. The method is based on the novel internal-surface reversed-phase precolumn packing materials Alkyl-Diol Silica (ADS). This new family of restricted-access materials has a hydrophilic, electroneutral outer particle surface and a hydrophobic internal pore surface. The supports tolerate the direct and repetitive injection of proteinaceous fluids such as plasma and allow a classical C18-, C8- or C4-reversed-phase partitioning at the internal (pore) surface. The total protein load, i.e. the lifetime of the precolumn used in this study (C8-Alkyl-Diol Silica, 25 microns, 25 x 4 mm I.D.), exceeds more than 100 ml of plasma. 8-MOP was detected by its native fluorescence (excitation 312 nm, emission 540 nm). Validation of the method revealed a quantitative and matrix-independent recovery (99.5-101.3% measured at five concentrations between 21.3 and 625.2 ng of 8-MOP per milliliter of plasma), linearity over a wide range of 8-MOP concentrations (1.2-3070 ng of 8-MOP/ml, r = 0.999), low limits of detection (0.39 ng of 8-MOP/ml) and quantitation (0.79 ng of 8-MOP/ml) and a high between-run (C.V. 1.47%, n = 10) and within-run (C.V. 1.33%, n = 10) reproducibility. This paper introduces coupled-column HPLC as a suitable method for on-site analysis of drug plasma profiles (bedside-monitoring).

An assessment of Indian monsoon seasonal forecasts and mechanisms underlying monsoon interannual variability in the Met Office GloSea5-GC2 system

NASA Astrophysics Data System (ADS)

Johnson, Stephanie J.; Turner, Andrew; Woolnough, Steven; Martin, Gill; MacLachlan, Craig

2017-03-01

We assess Indian summer monsoon seasonal forecasts in GloSea5-GC2, the Met Office fully coupled subseasonal to seasonal ensemble forecasting system. Using several metrics, GloSea5-GC2 shows similar skill to other state-of-the-art seasonal forecast systems. The prediction skill of the large-scale South Asian monsoon circulation is higher than that of Indian monsoon rainfall. Using multiple linear regression analysis we evaluate relationships between Indian monsoon rainfall and five possible drivers of monsoon interannual variability. Over the time period studied (1992-2011), the El Niño-Southern Oscillation (ENSO) and the Indian Ocean dipole (IOD) are the most important of these drivers in both observations and GloSea5-GC2. Our analysis indicates that ENSO and its teleconnection with Indian rainfall are well represented in GloSea5-GC2. However, the relationship between the IOD and Indian rainfall anomalies is too weak in GloSea5-GC2, which may be limiting the prediction skill of the local monsoon circulation and Indian rainfall. We show that this weak relationship likely results from a coupled mean state bias that limits the impact of anomalous wind forcing on SST variability, resulting in erroneous IOD SST anomalies. Known difficulties in representing convective precipitation over India may also play a role. Since Indian rainfall responds weakly to the IOD, it responds more consistently to ENSO than in observations. Our assessment identifies specific coupled biases that are likely limiting GloSea5-GC2 Indian summer monsoon seasonal prediction skill, providing targets for model improvement.

Social gating of sensory information during ongoing communication.

PubMed

Anders, Silke; Heussen, Yana; Sprenger, Andreas; Haynes, John-Dylan; Ethofer, Thomas

2015-01-01

Social context plays an important role in human communication. Depending on the nature of the source, the same communication signal might be processed in fundamentally different ways. However, the selective modulation (or "gating") of the flow of neural information during communication is not fully understood. Here, we use multivoxel pattern analysis (MVPA) and multivoxel connectivity analysis (MVCA), a novel technique that allows to analyse context-dependent changes of the strength interregional coupling between ensembles of voxels, to examine how the human brain differentially gates content-specific sensory information during ongoing perception of communication signals. In a simulated electronic communication experiment, participants received two alternative text messages during fMRI ("happy" or "sad") which they believed had been sent either by their real-life friend outside the scanner or by a computer. A region in the dorsal medial prefrontal cortex (dmPFC) selectively increased its functional coupling with sensory-content encoding regions in the visual cortex when a text message was perceived as being sent by the participant's friend, and decreased its functional coupling with these regions when a text message was perceived as being sent by the computer. Furthermore, the strength of neural encoding of content-specific information of text messages in the dmPFC was modulated by the social tie between the participant and her friend: the more of her spare time a participant reported to spend with her friend the stronger was the neural encoding. This suggests that the human brain selectively gates sensory information into the relevant network for processing the mental states of others, depending on the source of the communication signal. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

A full-spectrum analysis of high-speed train interior noise under multi-physical-field coupling excitations

NASA Astrophysics Data System (ADS)

Zheng, Xu; Hao, Zhiyong; Wang, Xu; Mao, Jie

2016-06-01

High-speed-railway-train interior noise at low, medium, and high frequencies could be simulated by finite element analysis (FEA) or boundary element analysis (BEA), hybrid finite element analysis-statistical energy analysis (FEA-SEA) and statistical energy analysis (SEA), respectively. First, a new method named statistical acoustic energy flow (SAEF) is proposed, which can be applied to the full-spectrum HST interior noise simulation (including low, medium, and high frequencies) with only one model. In an SAEF model, the corresponding multi-physical-field coupling excitations are firstly fully considered and coupled to excite the interior noise. The interior noise attenuated by sound insulation panels of carriage is simulated through modeling the inflow acoustic energy from the exterior excitations into the interior acoustic cavities. Rigid multi-body dynamics, fast multi-pole BEA, and large-eddy simulation with indirect boundary element analysis are first employed to extract the multi-physical-field excitations, which include the wheel-rail interaction forces/secondary suspension forces, the wheel-rail rolling noise, and aerodynamic noise, respectively. All the peak values and their frequency bands of the simulated acoustic excitations are validated with those from the noise source identification test. Besides, the measured equipment noise inside equipment compartment is used as one of the excitation sources which contribute to the interior noise. Second, a full-trimmed FE carriage model is firstly constructed, and the simulated modal shapes and frequencies agree well with the measured ones, which has validated the global FE carriage model as well as the local FE models of the aluminum alloy-trim composite panel. Thus, the sound transmission loss model of any composite panel has indirectly been validated. Finally, the SAEF model of the carriage is constructed based on the accurate FE model and stimulated by the multi-physical-field excitations. The results show that the trend of the simulated 1/3 octave band sound pressure spectrum agrees well with that of the on-site-measured one. The deviation between the simulated and measured overall sound pressure level (SPL) is 2.6 dB(A) and well controlled below the engineering tolerance limit, which has validated the SAEF model in the full-spectrum analysis of the high speed train interior noise.

A Concept Analysis of Fully Informed: Breastfeeding Promotion

DTIC Science & Technology

2005-12-21

updated breastfeeding policy statement, the American Academy of Pediatrics 3 ( AAP , 2005) identified the compelling advantages of breastfeeding and urged...healthcare 4 professionals to implement principles to promote breastfeeding . The AAP cited obstacles 5 to the initiation and continuation of...Analysis of Fully Informed 2 14 A Concept Analysis of Fully Informed: Breastfeeding Promotion 15 In February 2005, the American Academy of Pediatrics ( AAP

Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

DOE PAGES

Gali, Adam; Demján, Tamás; Vörös, Márton; ...

2016-04-22

The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential tomore » properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Furthermore, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect.« less

A loosely-coupled scheme for the interaction between a fluid, elastic structure and poroelastic material

NASA Astrophysics Data System (ADS)

Bukač, M.

2016-05-01

We model the interaction between an incompressible, viscous fluid, thin elastic structure and a poroelastic material. The poroelastic material is modeled using the Biot's equations of dynamic poroelasticity. The fluid, elastic structure and the poroelastic material are fully coupled, giving rise to a nonlinear, moving boundary problem with novel energy estimates. We present a modular, loosely coupled scheme where the original problem is split into the fluid sub-problem, elastic structure sub-problem and poroelasticity sub-problem. An energy estimate associated with the stability of the scheme is derived in the case where one of the coupling parameters, β, is equal to zero. We present numerical tests where we investigate the effects of the material properties of the poroelastic medium on the fluid flow. Our findings indicate that the flow patterns highly depend on the storativity of the poroelastic material and cannot be captured by considering fluid-structure interaction only.

Trauma Symptoms, Communication, and Relationship Satisfaction in Military Couples.

PubMed

Bakhurst, Melissa; McGuire, Annabel; Halford, W Kim

2018-03-01

Trauma symptoms are negatively correlated with couple relationship satisfaction, which is of particular importance in the relationships of military personnel who are often exposed to trauma whilst on overseas deployment. This study tested a model in which communication mediated an association between trauma symptoms and low relationship satisfaction. Thirty-one Australian military couples were observationally assessed during a communication task, and assessed on their relationship satisfaction and individual functioning. As expected, trauma symptoms in the male military spouse were associated with low satisfaction in both spouses. Females' low positive communication fully mediated the relationship between males' trauma symptoms and low female satisfaction, but not male relationship satisfaction. Unexpectedly, males' negative communication behaviors were associated with high male relationship satisfaction, and partially mediated the association between trauma symptoms and male satisfaction. Discussion focused on how some communication usually thought of as negative might be associated with relationship satisfaction in military couples. © 2017 Family Process Institute.

Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

PubMed Central

Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

2016-01-01

The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect. PMID:27103340

Reconstruction of the Eemian climate using a fully coupled Earth system model

NASA Astrophysics Data System (ADS)

Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Huybrechts, Philippe

2017-04-01

Climate of the Last Interglacial (LIG) between ca. 130 and 115 kyr BP is thought to be a good analogue for future climate warming. Though the driving mechanisms of the past and current climate evolution differ, analysis of the LIG climate may provide important insights for projections of future environmental changes. We do not know properly what was spatial distribution and magnitude of surface air temperature and precipitation anomalies with respect to present. Sparse proxy data are attributed mostly to the continental margins, internal areas of ice sheets and particular regions of the World Ocean. Combining mathematical modeling and indirect evidence can help to identify driving mechanisms and feed-backs which formed climatic conditions of the LIG. In order to reproduce the LIG climate, we carried out transient numerical experiments using a fully coupled Earth System Model (ESM) consisting of an AO GCM, which includes decription of the biosphere, atmospheric and oceanic chemistry ets. (INMCM), developed in the Institute of Numerical Mathematics (Moscow, Russia) and the models of Greenland and Antarctic ice sheets (GrISM and AISM, Vrije Uninersiteit Brussel, Belgium). Though the newest version of the INMCM has rather high spatial resolution, it canot be used in long transient numerical experimemts because of high computational demand. Coupling of the GrISM and AISM to the low resolution version of the INMCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmosphere and the ocean components of the ESM (spatial resolution 5˚×4˚, 21 vertical layers in the atmospheric block, 2.5°×2°, 6 min. temporal resolution; 33 vertical layers in the oceanic block; 20×20 km, 51 vertical layers and 1 yr temporal resolution in the GrISM and AISM). We apply two different coupling strategies. AISM is incorporated into the ESM via using procedures of resampling and interpolation of the input fields of annually averaged air surface temperatures and precipitation fields generated by the INMCM. To provide interactive coupling of the INMCM and the GrISM, we employ a special energy- and water balance model (EWBM-G), which serves as a buffer providing effective data exchange between sub-models. EWBM-G operates in a rectangle domain including Greenland and calculates annual surface mass balance (further transferred as an external forcing to the GrISM) and fresh water flux (transferred to the oceanic block of the INMCM). Orbital parameters of the LIG were set with 1 kyr step with further interpolation to 100 years. Assuming concentrations of greenhouse gases during the LIG were not very much different from the preindustrial values, this potential forcing was neglected. Climatic block of the ESM was called every 100 model years to follow changes in orbital forcing. AISM and GrISM were asynchronously coupled to sub-models of the atmosphere and the ocean with the ratio of model years as 100 to 1. Obtained fields of deviations of air surface temperature from preindustrial values correspond in general to the estimates made in earlier studies. Evaluated contribution of the Greenland ice sheet to the global sea level rise (approximately 2 m) supports the newest estimates based on model results and proxy data analysis.

Role of upper-ocean on the intensity of Bay of Bengal cyclone `Phailin' as revealed by coupled simulation using Mesoscale Coupled Modeling System (WRF-ROMS)

NASA Astrophysics Data System (ADS)

Mani, B.; Mandal, M.

2016-12-01

Numerical prediction of tropical cyclone (TC) track has improved significantly in recent years, but not the intensity. It is well accepted that TC induced sea surface temperature (SST) cooling in conjunction with pre-existing upper-ocean features have major influences on tropical cyclone intensity. Absence of two-way atmosphere-ocean feedback in the stand-alone atmosphere models has major consequences on their prediction of TC intensity. The present study investigates the role of upper-ocean on prediction of TC intensity and track based on coupled and uncoupled simulation of the Bay of Bengal (BoB) cyclone `Phailin'. The coupled simulation is conducted with the Mesoscale Coupled Modeling System (MCMS) which is a fully coupled atmosphere-ocean modeling system that includes the non-hydrostatic atmospheric model (WRF-ARW) and the three-dimensional hydrostatic ocean model (ROMS). The uncoupled simulation is performed using the atmosphere component of MCMS i.e., the customized version of WRF-ARW for BoB cyclones with prescribed (RTG) SST. The track and intensity of the storm is significantly better simulated by the MCMS and closely followed the observation. The peak intensity, landfall position and time are accurately predicted by MCMS, whereas the uncoupled simulation over predicted the storm intensity. Validation of storm induced SST cooling with the merged microwave-infrared satellite SST indicates that the MCMS simulation shows better correlation both in terms of spatial spread of cold wake and its magnitude. The analysis also suggests that the Pre-existing Cyclonic Eddy (PCE) observed adjacent to the storm enhanced the TC induced SST cooling. It is observed that the response of SST (i.e., cooling) to storm intensity is 12hr with 95% statistical significance. The air-sea enthalpy flux shows a clear asymmetry between Front Left (FL) and Rear Right (RR) regime to the storm center where TC induced cooling is more than 0.5K/24hr. The analysis of atmospheric boundary layer reveals the formation of persistent stable boundary layer (SBL) over the cold wake, which caused asymmetry in TC structure by quelling convection in the rainbands downstream to the cold wake. The present study signifies the importance of using MCMS in prediction of the BoB cyclone and encourages further investigation with more cyclone cases.

Coupled Physics Environment (CouPE) library - Design, Implementation, and Release

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

Mahadevan, Vijay S.

Over several years, high fidelity, validated mono-­physics solvers with proven scalability on peta-­scale architectures have been developed independently. Based on a unified component-­based architecture, these existing codes can be coupled with a unified mesh-­data backplane and a flexible coupling-­strategy-­based driver suite to produce a viable tool for analysts. In this report, we present details on the design decisions and developments on CouPE, an acronym that stands for Coupled Physics Environment that orchestrates a coupled physics solver through the interfaces exposed by MOAB array-­based unstructured mesh, both of which are part of SIGMA (Scalable Interfaces for Geometry and Mesh-­Based Applications) toolkit.more » The SIGMA toolkit contains libraries that enable scalable geometry and unstructured mesh creation and handling in a memory and computationally efficient implementation. The CouPE version being prepared for a full open-­source release along with updated documentation will contain several useful examples that will enable users to start developing their applications natively using the native MOAB mesh and couple their models to existing physics applications to analyze and solve real world problems of interest. An integrated multi-­physics simulation capability for the design and analysis of current and future nuclear reactor models is also being investigated as part of the NEAMS RPL, to tightly couple neutron transport, thermal-­hydraulics and structural mechanics physics under the SHARP framework. This report summarizes the efforts that have been invested in CouPE to bring together several existing physics applications namely PROTEUS (neutron transport code), Nek5000 (computational fluid-dynamics code) and Diablo (structural mechanics code). The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The design of CouPE along with motivations that led to implementation choices are also discussed. The first release of the library will be different from the current version of the code that integrates the components in SHARP and explanation on the need for forking the source base will also be provided. Enhancements in the functionality and improved user guides will be available as part of the release. CouPE v0.1 is scheduled for an open-­source release in December 2014 along with SIGMA v1.1 components that provide support for language-agnostic mesh loading, traversal and query interfaces along with scalable solution transfer of fields between different physics codes. The coupling methodology and software interfaces of the library are presented, along with verification studies on two representative fast sodium-­cooled reactor demonstration problems to prove the usability of the CouPE library.« less

Interfacing comprehensive rotorcraft analysis with advanced aeromechanics and vortex wake models

NASA Astrophysics Data System (ADS)

Liu, Haiying

This dissertation describes three aspects of the comprehensive rotorcraft analysis. First, a physics-based methodology for the modeling of hydraulic devices within multibody-based comprehensive models of rotorcraft systems is developed. This newly proposed approach can predict the fully nonlinear behavior of hydraulic devices, and pressure levels in the hydraulic chambers are coupled with the dynamic response of the system. The proposed hydraulic device models are implemented in a multibody code and calibrated by comparing their predictions with test bench measurements for the UH-60 helicopter lead-lag damper. Predicted peak damping forces were found to be in good agreement with measurements, while the model did not predict the entire time history of damper force to the same level of accuracy. The proposed model evaluates relevant hydraulic quantities such as chamber pressures, orifice flow rates, and pressure relief valve displacements. This model could be used to design lead-lag dampers with desirable force and damping characteristics. The second part of this research is in the area of computational aeroelasticity, in which an interface between computational fluid dynamics (CFD) and computational structural dynamics (CSD) is established. This interface enables data exchange between CFD and CSD with the goal of achieving accurate airloads predictions. In this work, a loose coupling approach based on the delta-airloads method is developed in a finite-element method based multibody dynamics formulation, DYMORE. To validate this aerodynamic interface, a CFD code, OVERFLOW-2, is loosely coupled with a CSD program, DYMORE, to compute the airloads of different flight conditions for Sikorsky UH-60 aircraft. This loose coupling approach has good convergence characteristics. The predicted airloads are found to be in good agreement with the experimental data, although not for all flight conditions. In addition, the tight coupling interface between the CFD program, OVERFLOW-2, and the CSD program, DYMORE, is also established. The ability to accurately capture the wake structure around a helicopter rotor is crucial for rotorcraft performance analysis. In the third part of this thesis, a new representation of the wake vortex structure based on Non-Uniform Rational B-Spline (NURBS) curves and surfaces is proposed to develop an efficient model for prescribed and free wakes. NURBS curves and surfaces are able to represent complex shapes with remarkably little data. The proposed formulation has the potential to reduce the computational cost associated with the use of Helmholtz's law and the Biot-Savart law when calculating the induced flow field around the rotor. An efficient free-wake analysis will considerably decrease the computational cost of comprehensive rotorcraft analysis, making the approach more attractive to routine use in industrial settings.

Determination of Inorganic Cations and Anions in Chitooligosaccharides by Ion Chromatography with Conductivity Detection.

PubMed

Cao, Lidong; Li, Xiuhuan; Fan, Li; Zheng, Li; Wu, Miaomiao; Zhang, Shanxue; Huang, Qiliang

2017-02-22

Chitooligosaccharides (COSs) are a promising drug candidate and food ingredient because they are innately biocompatible, non-toxic, and non-allergenic to living tissues. Therefore, the impurities in COSs must be clearly elucidated and precisely determined. As for COSs, most analytical methods focus on the determination of the average degrees of polymerization (DPs) and deacetylation (DD), as well as separation and analysis of the single COSs with different DPs. However, little is known about the concentrations of inorganic cations and anions in COSs. In the present study, an efficient and sensitive ion chromatography coupled with conductivity detection (IC-CD) for the determination of inorganic cations Na⁺, NH₄⁺, K⁺, Mg 2+ , Ca 2+ , and chloride, acetate and lactate anions was developed. Detection limits were 0.01-0.05 μM for cations and 0.5-0.6 μM for anions. The linear range was 0.001-0.8 mM. The optimized analysis was carried out on IonPac CS12A and IonPac AS12A analytical column for cations and anions, respectively, using isocratic elution with 20 mM methanesulfonic acid and 4 mM sodium hydroxide aqueous solution as the mobile phase at a 1.0 mL/min flow rate. Quality parameters, including precision and accuracy, were fully validated and found to be satisfactory. The fully validated IC-CD method was readily applied for the quantification of various cations and anions in commercial COS technical concentrate.

Determination of Inorganic Cations and Anions in Chitooligosaccharides by Ion Chromatography with Conductivity Detection

PubMed Central

Cao, Lidong; Li, Xiuhuan; Fan, Li; Zheng, Li; Wu, Miaomiao; Zhang, Shanxue; Huang, Qiliang

2017-01-01

Chitooligosaccharides (COSs) are a promising drug candidate and food ingredient because they are innately biocompatible, non-toxic, and non-allergenic to living tissues. Therefore, the impurities in COSs must be clearly elucidated and precisely determined. As for COSs, most analytical methods focus on the determination of the average degrees of polymerization (DPs) and deacetylation (DD), as well as separation and analysis of the single COSs with different DPs. However, little is known about the concentrations of inorganic cations and anions in COSs. In the present study, an efficient and sensitive ion chromatography coupled with conductivity detection (IC-CD) for the determination of inorganic cations Na+, NH4+, K+, Mg2+, Ca2+, and chloride, acetate and lactate anions was developed. Detection limits were 0.01–0.05 μM for cations and 0.5–0.6 μM for anions. The linear range was 0.001–0.8 mM. The optimized analysis was carried out on IonPac CS12A and IonPac AS12A analytical column for cations and anions, respectively, using isocratic elution with 20 mM methanesulfonic acid and 4 mM sodium hydroxide aqueous solution as the mobile phase at a 1.0 mL/min flow rate. Quality parameters, including precision and accuracy, were fully validated and found to be satisfactory. The fully validated IC-CD method was readily applied for the quantification of various cations and anions in commercial COS technical concentrate. PMID:28241416

Nonlinear imaging (NIM) of barely visible impact damage (BVID) in composite panels using a semi and full air-coupled linear and nonlinear ultrasound technique

NASA Astrophysics Data System (ADS)

Malfense Fierro, Gian Piero; Meo, Michele

2018-03-01

Two non-contact methods were evaluated to address the reliability and reproducibility concerns affecting industry adoption of nonlinear ultrasound techniques for non-destructive testing and evaluation (NDT/E) purposes. A semi and a fully air-coupled linear and nonlinear ultrasound method was evaluated by testing for barely visible impact damage (BVID) in composite materials. Air coupled systems provide various advantages over contact driven systems; such as: ease of inspection, no contact and lubrication issues and a great potential for non-uniform geometry evaluation. The semi air-coupled setup used a suction attached piezoelectric transducer to excite the sample and an array of low-cost microphones to capture the signal over the inspection area, while the second method focused on a purely air-coupled setup, using an air-coupled transducer to excite the structure and capture the signal. One of the issues facing nonlinear and any air-coupled systems is transferring enough energy to stimulate wave propagation and in the case of nonlinear ultrasound; damage regions. Results for both methods provided nonlinear imaging (NIM) of damage regions using a sweep excitation methodology, with the semi aircoupled system providing clearer results.

Surrogate versus couple therapy in vaginismus.

PubMed

Ben-Zion, Itzhak; Rothschild, Shelly; Chudakov, Bella; Aloni, Ronit

2007-05-01

Women who do not have a cooperative partner cannot complete the usual therapeutic process in the treatment of vaginismus, because they cannot progress to the stage of practicing the insertion of the man partner's fingers and the insertion of a penis. To compare traditional couple therapy with therapy utilizing a surrogate partner. The study was controlled and retrospective. Data were obtained from the treatment charts of patients who had come to the clinic for treatment of vaginismus. Sixteen vaginismus patients who were treated with a man surrogate partner were compared with 16 vaginismus patients who were treated with their own partners. Successful pain-free intercourse upon completion of therapy. One hundred percent of the surrogate patients succeeded in penile-vaginal intercourse compared with 75% in the couples group (P = 0.1). All surrogate patients ended the therapy because it was fully successful, compared with 69% in the couples group. Twelve percent of the couples group ended the therapy because it failed, and 19% because the couples decided to separate. Treating vaginismus with a man surrogate partner was at least as effective as couple therapy. Surrogate therapy may be considered for vaginismus patients who have no cooperative partner.

Cycling transport safety quantification

NASA Astrophysics Data System (ADS)

Drbohlav, Jiri; Kocourek, Josef

2018-05-01

Dynamic interest in cycling transport brings the necessity to design safety cycling infrastructure. In las few years, couple of norms with safety elements have been designed and suggested for the cycling infrastructure. But these were not fully examined. The main parameter of suitable and fully functional transport infrastructure is the evaluation of its safety. Common evaluation of transport infrastructure safety is based on accident statistics. These statistics are suitable for motor vehicle transport but unsuitable for the cycling transport. Cycling infrastructure evaluation of safety is suitable for the traffic conflicts monitoring. The results of this method are fast, based on real traffic situations and can be applied on any traffic situations.

Particle contamination effects in EUVL: enhanced theory for the analytical determination of critical particle sizes

NASA Astrophysics Data System (ADS)

Brandstetter, Gerd; Govindjee, Sanjay

2012-03-01

Existing analytical and numerical methodologies are discussed and then extended in order to calculate critical contamination-particle sizes, which will result in deleterious effects during EUVL E-chucking in the face of an error budget on the image-placement-error (IPE). The enhanced analytical models include a gap dependant clamping pressure formulation, the consideration of a general material law for realistic particle crushing and the influence of frictional contact. We present a discussion of the defects of the classical de-coupled modeling approach where particle crushing and mask/chuck indentation are separated from the global computation of mask bending. To repair this defect we present a new analytic approach based on an exact Hankel transform method which allows a fully coupled solution. This will capture the contribution of the mask indentation to the image-placement-error (estimated IPE increase of 20%). A fully coupled finite element model is used to validate the analytical models and to further investigate the impact of a mask back-side CrN-layer. The models are applied to existing experimental data with good agreement. For a standard material combination, a given IPE tolerance of 1 nm and a 15 kPa closing pressure, we derive bounds for single particles of cylindrical shape (radius × height < 44 μm) and spherical shape (diameter < 12 μm).

Checkpoints couple transcription network oscillator dynamics to cell-cycle progression.

PubMed

Bristow, Sara L; Leman, Adam R; Simmons Kovacs, Laura A; Deckard, Anastasia; Harer, John; Haase, Steven B

2014-09-05

The coupling of cyclin dependent kinases (CDKs) to an intrinsically oscillating network of transcription factors has been proposed to control progression through the cell cycle in budding yeast, Saccharomyces cerevisiae. The transcription network regulates the temporal expression of many genes, including cyclins, and drives cell-cycle progression, in part, by generating successive waves of distinct CDK activities that trigger the ordered program of cell-cycle events. Network oscillations continue autonomously in mutant cells arrested by depletion of CDK activities, suggesting the oscillator can be uncoupled from cell-cycle progression. It is not clear what mechanisms, if any, ensure that the network oscillator is restrained when progression in normal cells is delayed or arrested. A recent proposal suggests CDK acts as a master regulator of cell-cycle processes that have the potential for autonomous oscillatory behavior. Here we find that mitotic CDK is not sufficient for fully inhibiting transcript oscillations in arrested cells. We do find that activation of the DNA replication and spindle assembly checkpoints can fully arrest the network oscillator via overlapping but distinct mechanisms. Further, we demonstrate that the DNA replication checkpoint effector protein, Rad53, acts to arrest a portion of transcript oscillations in addition to its role in halting cell-cycle progression. Our findings indicate that checkpoint mechanisms, likely via phosphorylation of network transcription factors, maintain coupling of the network oscillator to progression during cell-cycle arrest.

Two-channel Kondo effect and renormalization flow with macroscopic quantum charge states.

PubMed

Iftikhar, Z; Jezouin, S; Anthore, A; Gennser, U; Parmentier, F D; Cavanna, A; Pierre, F

2015-10-08

Many-body correlations and macroscopic quantum behaviours are fascinating condensed matter problems. A powerful test-bed for the many-body concepts and methods is the Kondo effect, which entails the coupling of a quantum impurity to a continuum of states. It is central in highly correlated systems and can be explored with tunable nanostructures. Although Kondo physics is usually associated with the hybridization of itinerant electrons with microscopic magnetic moments, theory predicts that it can arise whenever degenerate quantum states are coupled to a continuum. Here we demonstrate the previously elusive 'charge' Kondo effect in a hybrid metal-semiconductor implementation of a single-electron transistor, with a quantum pseudospin of 1/2 constituted by two degenerate macroscopic charge states of a metallic island. In contrast to other Kondo nanostructures, each conduction channel connecting the island to an electrode constitutes a distinct and fully tunable Kondo channel, thereby providing unprecedented access to the two-channel Kondo effect and a clear path to multi-channel Kondo physics. Using a weakly coupled probe, we find the renormalization flow, as temperature is reduced, of two Kondo channels competing to screen the charge pseudospin. This provides a direct view of how the predicted quantum phase transition develops across the symmetric quantum critical point. Detuning the pseudospin away from degeneracy, we demonstrate, on a fully characterized device, quantitative agreement with the predictions for the finite-temperature crossover from quantum criticality.

Nonlinear static and dynamic analysis of beam structures using fully intrinsic equations

NASA Astrophysics Data System (ADS)

Sotoudeh, Zahra

2011-07-01

Beams are structural members with one dimension much larger than the other two. Examples of beams include propeller blades, helicopter rotor blades, and high aspect-ratio aircraft wings in aerospace engineering; shafts and wind turbine blades in mechanical engineering; towers, highways and bridges in civil engineering; and DNA modeling in biomedical engineering. Beam analysis includes two sets of equations: a generally linear two-dimensional problem over the cross-sectional plane and a nonlinear, global one-dimensional analysis. This research work deals with a relatively new set of equations for one-dimensional beam analysis, namely the so-called fully intrinsic equations. Fully intrinsic equations comprise a set of geometrically exact, nonlinear, first-order partial differential equations that is suitable for analyzing initially curved and twisted anisotropic beams. A fully intrinsic formulation is devoid of displacement and rotation variables, making it especially attractive because of the absence of singularities, infinite-degree nonlinearities, and other undesirable features associated with finite rotation variables. In spite of the advantages of these equations, using them with certain boundary conditions presents significant challenges. This research work will take a broad look at these challenges of modeling various boundary conditions when using the fully intrinsic equations. Hopefully it will clear the path for wider and easier use of the fully intrinsic equations in future research. This work also includes application of fully intrinsic equations in structural analysis of joined-wing aircraft, different rotor blade configuration and LCO analysis of HALE aircraft.

On the relationship between the greenhouse effect, atmospheric photochemistry, and species distribution

NASA Technical Reports Server (NTRS)

Callis, L. B.; Boughner, R. E.; Natarajan, M.

1983-01-01

The coupling that exists between infrared opacity changes and tropospheric (and to a lesser extent stratospheric) chemistry is explored in considerable detail, and the effects arising from various perturbations are examined. The studies are carried out with a fully coupled one-dimensional radiative-convective-photochemical model (RCP) that extends from the surface to 53.5 km and has the capability of calculating surface temperature changes due to both chemical and radiative perturbations. The model encompasses contemporary atmospheric chemistry and photochemistry involving the O(x), HO(x), NO(x), and Cl(x) species.

Power control system and method

DOEpatents

Steigerwald, Robert Louis [Burnt Hills, NY; Anderson, Todd Alan [Niskayuna, NY

2008-02-19

A power system includes an energy harvesting device, a battery coupled to the energy harvesting device, and a circuit coupled to the energy harvesting device and the battery. The circuit is adapted to deliver power to a load by providing power generated by the energy harvesting device to the load without delivering excess power to the battery and to supplement the power generated by the energy harvesting device with power from the battery if the power generated by the energy harvesting device is insufficient to fully power the load. A method of operating the power system is also provided.

Power control system and method

DOEpatents

Steigerwald, Robert Louis; Anderson, Todd Alan

2006-11-07

A power system includes an energy harvesting device, a battery coupled to the energy harvesting device, and a circuit coupled to the energy harvesting device and the battery. The circuit is adapted to deliver power to a load by providing power generated by the energy harvesting device to the load without delivering excess power to the battery and to supplement the power generated by the energy harvesting device with power from the battery if the power generated by the energy harvesting device is insufficient to fully power the load. A method of operating the power system is also provided.

Anomalous complete opaqueness in a sparse array of gold nanoparticle chains

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

Bai Benfeng; Tsinghua-Foxconn Nanotechnology Research Center, Tsinghua University, Beijing 100084; Department of Physics and Mathematics, University of Eastern Finland, P.O. Box 111, FI-80101 Joensuu

2011-08-22

We report on an anomalous polarization-switching extinction effect in a sparse array of gold nanoparticle chains: under normal incidence of light, the array is almost transparent for one polarization; whereas it is fully opaque (with nearly zero transmittance) for the orthogonal polarization within a narrow band, even though the nanoparticles cover only a tiny fraction (say, 3.5%) of the transparent substrate surface. We reveal that the strong polarization-dependent short-range dipolar coupling and long-range radiative coupling of gold nanoparticles in this highly asymmetric array is responsible for this extraordinary effect.

Tunneling anisotropic magnetoresistance driven by resonant surface states: first-principles calculations on an Fe(001) surface.

PubMed

Chantis, Athanasios N; Belashchenko, Kirill D; Tsymbal, Evgeny Y; van Schilfgaarde, Mark

2007-01-26

Fully relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic electrode. The effect is driven by the spin-orbit coupling. It shifts the resonant surface band via the Rashba effect when the magnetization direction changes. We find that spin-flip scattering at the interface is controlled not only by the strength of the spin-orbit coupling, but depends strongly on the intrinsic width of the resonant surface states.

The role of soil moisture in land surface-atmosphere coupling: climate model sensitivity experiments over India

NASA Astrophysics Data System (ADS)

Williams, Charles; Turner, Andrew

2015-04-01

It is generally acknowledged that anthropogenic land use changes, such as a shift from forested land into irrigated agriculture, may have an impact on regional climate and, in particular, rainfall patterns in both time and space. India provides an excellent example of a country in which widespread land use change has occurred during the last century, as the country tries to meet its growing demand for food. Of primary concern for agriculture is the Indian summer monsoon (ISM), which displays considerable seasonal and subseasonal variability. Although it is evident that changing rainfall variability will have a direct impact on land surface processes (such as soil moisture variability), the reverse impact is less well understood. However, the role of soil moisture in the coupling between the land surface and atmosphere needs to be properly explored before any potential impact of changing soil moisture variability on ISM rainfall can be understood. This paper attempts to address this issue, by conducting a number of sensitivity experiments using a state-of-the-art climate model from the UK Meteorological Office Hadley Centre: HadGEM2. Several experiments are undertaken, with the only difference between them being the extent to which soil moisture is coupled to the atmosphere. Firstly, the land surface is fully coupled to the atmosphere, globally (as in standard model configurations); secondly, the land surface is entirely uncoupled from the atmosphere, again globally, with soil moisture values being prescribed on a daily basis; thirdly, the land surface is uncoupled from the atmosphere over India but fully coupled elsewhere; and lastly, vice versa (i.e. the land surface is coupled to the atmosphere over India but uncoupled elsewhere). Early results from this study suggest certain 'hotspot' regions where the impact of soil moisture coupling/uncoupling may be important, and many of these regions coincide with previous studies. Focusing on the third experiment, i.e. uncoupled over India and coupled elsewhere, preliminary results suggest an increase in rainfall, surface temperature and pressure over northern India and the Himalayas, as well as a decrease in rainfall over the Bay of Bengal and the Maritime Continent. Other metrics, such as the northward propagation of intraseasonal rainfall variability and sensible and latent heat fluxes, are also discussed.

EVALUATION OF THE CMAQ - AIM MODEL AGAINST SIZE AND CHEMICALLY-RESOLVED IMPACTOR DATA AT A COASTAL URBAN SITE

EPA Science Inventory

CMAQ-UCD (formerly known as CMAQ-AIM), is a fully dynamic, sectional aerosol model which has been coupled to the Community Multiscale Air Quality (CMAQ) host air quality model. Aerosol sulfate, nitrate, ammonium, sodium, and chloride model outputs are compared against MOUDI data...

An eco-hydrological approach to predicting regional vegetation and groundwater response to ecological water convergence in dryland riparian ecosystems

USDA-ARS?s Scientific Manuscript database

To improve the management strategy of riparian restoration, better understanding of the dynamic of eco-hydrological system and its feedback between hydrological and ecological components are needed. The fully distributed eco-hydrological model coupled with a hydrology component was developed based o...

How Do Cohabiting Couples with Children Spend Their Money? JCPR Working Paper.

ERIC Educational Resources Information Center

DeLeire, Thomas; Kalil, Ariel

Cohabitation is an increasingly prevalent living arrangement in the United States. Although the effects of living in a cohabiting arrangement on child wellbeing are not fully understood, the literature on children growing up in cohabiting families suggests that they have poorer developmental outcomes than do those growing up in married-parent…

Dynamic Evaluation of Two Decades of WRF-CMAQ Ozone Simulations over the Contiguous United States (2017 MAC-MAQ Conference Presentation)

EPA Science Inventory

Dynamic evaluation of two decades of ozone simulations performed with the fully coupled Weather Research and Forecasting (WRF)–Community Multi-scale Air Quality (CMAQ) model over the contiguous United States is conducted to assess how well the changes in observed ozone air ...

Quantum Optimization of Fully Connected Spin Glasses

NASA Astrophysics Data System (ADS)

Venturelli, Davide; Mandrà, Salvatore; Knysh, Sergey; O'Gorman, Bryan; Biswas, Rupak; Smelyanskiy, Vadim

2015-07-01

Many NP-hard problems can be seen as the task of finding a ground state of a disordered highly connected Ising spin glass. If solutions are sought by means of quantum annealing, it is often necessary to represent those graphs in the annealer's hardware by means of the graph-minor embedding technique, generating a final Hamiltonian consisting of coupled chains of ferromagnetically bound spins, whose binding energy is a free parameter. In order to investigate the effect of embedding on problems of interest, the fully connected Sherrington-Kirkpatrick model with random ±1 couplings is programmed on the D-Wave TwoTM annealer using up to 270 qubits interacting on a Chimera-type graph. We present the best embedding prescriptions for encoding the Sherrington-Kirkpatrick problem in the Chimera graph. The results indicate that the optimal choice of embedding parameters could be associated with the emergence of the spin-glass phase of the embedded problem, whose presence was previously uncertain. This optimal parameter setting allows the performance of the quantum annealer to compete with (and potentially outperform, in the absence of analog control errors) optimized simulated annealing algorithms.

Parallel numerical modeling of hybrid-dimensional compositional non-isothermal Darcy flows in fractured porous media

NASA Astrophysics Data System (ADS)

Xing, F.; Masson, R.; Lopez, S.

2017-09-01

This paper introduces a new discrete fracture model accounting for non-isothermal compositional multiphase Darcy flows and complex networks of fractures with intersecting, immersed and non-immersed fractures. The so called hybrid-dimensional model using a 2D model in the fractures coupled with a 3D model in the matrix is first derived rigorously starting from the equi-dimensional matrix fracture model. Then, it is discretized using a fully implicit time integration combined with the Vertex Approximate Gradient (VAG) finite volume scheme which is adapted to polyhedral meshes and anisotropic heterogeneous media. The fully coupled systems are assembled and solved in parallel using the Single Program Multiple Data (SPMD) paradigm with one layer of ghost cells. This strategy allows for a local assembly of the discrete systems. An efficient preconditioner is implemented to solve the linear systems at each time step and each Newton type iteration of the simulation. The numerical efficiency of our approach is assessed on different meshes, fracture networks, and physical settings in terms of parallel scalability, nonlinear convergence and linear convergence.

Impacts of future radiation management scenarios on terrestrial carbon dynamics simulated with fully coupled NorESM

NASA Astrophysics Data System (ADS)

Ekici, Altug; Tjiputra, Jerry; Grini, Alf; Muri, Helene

2017-04-01

We have simulated 3 different radiation management geoengineering methods (CCT - cirrus cloud thinning; SAI - stratospheric aerosol injection; MSB - marine sky brightening) on top of future RCP8.5 scenario with the fully coupled Norwegian Earth System Model (NorESM). A globally consistent cooling in both atmosphere and soil is observed with all methods. However, precipitation patterns are dependent on the used method. Globally CCT and MSB methods do not affect the vegetation carbon budget, while SAI leads to a loss compared to RCP8.5 simulations. Spatially the most sensitive region is the tropics. Here, the changes in vegetation carbon content are related to the precipitation changes. Increase in soil carbon is projected in all three methods, the biggest change seen in SAI method. Simulations with CCT method leads to twice as much soil carbon retention in the tropics compared to the MSB method. Our findings show that there are unforeseen regional consequences of such geoengineering methods in the biogeochemical cycles and they should be considered with care in future climate policies.

Spacetime deformation effect on the early universe and the PTOLEMY experiment

NASA Astrophysics Data System (ADS)

Horvat, Raul; Trampetic, Josip; You, Jiangyang

2017-09-01

Using a fully-fledged formulation of gauge field theory deformed by the spacetime noncommutativity, we study its impact on relic neutrino direct detection, as proposed recently by the PTOLEMY experiment. The noncommutative background tends to influence the propagating neutrinos by providing them with a tree-level vector-like coupling to photons, enabling thus otherwise sterile right-handed (RH) neutrinos to be thermally produced in the early universe. Such a new component in the universe's background radiation has been switched today to the almost fully active sea of non-relativistic neutrinos, exerting consequently some impact on the capture on tritium at PTOLEMY. The peculiarities of our nonperturbative approach tend to reflect in the cosmology as well, upon the appearances of the coupling temperature, above which RH neutrinos stay permanently decoupled from thermal environment. This entails the maximal scale of noncommutativity as well, being of order of 10-4MPl, above which there is no impact whatsoever on the capture rates at PTOLEMY. The latter represents an exceptional upper bound on the scale of noncommutativity coming from phenomenology.

Database Driven 6-DOF Trajectory Simulation for Debris Transport Analysis

NASA Technical Reports Server (NTRS)

West, Jeff

2008-01-01

Debris mitigation and risk assessment have been carried out by NASA and its contractors supporting Space Shuttle Return-To-Flight (RTF). As a part of this assessment, analysis of transport potential for debris that may be liberated from the vehicle or from pad facilities prior to tower clear (Lift-Off Debris) is being performed by MSFC. This class of debris includes plume driven and wind driven sources for which lift as well as drag are critical for the determination of the debris trajectory. As a result, NASA MSFC has a need for a debris transport or trajectory simulation that supports the computation of lift effect in addition to drag without the computational expense of fully coupled CFD with 6-DOF. A database driven 6-DOF simulation that uses aerodynamic force and moment coefficients for the debris shape that are interpolated from a database has been developed to meet this need. The design, implementation, and verification of the database driven six degree of freedom (6-DOF) simulation addition to the Lift-Off Debris Transport Analysis (LODTA) software are discussed in this paper.

An online peak extraction algorithm for ion mobility spectrometry data.

PubMed

Kopczynski, Dominik; Rahmann, Sven

2015-01-01

Ion mobility (IM) spectrometry (IMS), coupled with multi-capillary columns (MCCs), has been gaining importance for biotechnological and medical applications because of its ability to detect and quantify volatile organic compounds (VOC) at low concentrations in the air or in exhaled breath at ambient pressure and temperature. Ongoing miniaturization of spectrometers creates the need for reliable data analysis on-the-fly in small embedded low-power devices. We present the first fully automated online peak extraction method for MCC/IMS measurements consisting of several thousand individual spectra. Each individual spectrum is processed as it arrives, removing the need to store the measurement before starting the analysis, as is currently the state of the art. Thus the analysis device can be an inexpensive low-power system such as the Raspberry Pi. The key idea is to extract one-dimensional peak models (with four parameters) from each spectrum and then merge these into peak chains and finally two-dimensional peak models. We describe the different algorithmic steps in detail and evaluate the online method against state-of-the-art peak extraction methods.

Operational characterisation of requirements and early validation environment for high demanding space systems

NASA Technical Reports Server (NTRS)

Barro, E.; Delbufalo, A.; Rossi, F.

1993-01-01

The definition of some modern high demanding space systems requires a different approach to system definition and design from that adopted for traditional missions. System functionality is strongly coupled to the operational analysis, aimed at characterizing the dynamic interactions of the flight element with its surrounding environment and its ground control segment. Unambiguous functional, operational and performance requirements are to be defined for the system, thus improving also the successive development stages. This paper proposes a Petri Nets based methodology and two related prototype applications (to ARISTOTELES orbit control and to Hermes telemetry generation) for the operational analysis of space systems through the dynamic modeling of their functions and a related computer aided environment (ISIDE) able to make the dynamic model work, thus enabling an early validation of the system functional representation, and to provide a structured system requirements data base, which is the shared knowledge base interconnecting static and dynamic applications, fully traceable with the models and interfaceable with the external world.

Implementation of DSC model and application for analysis of field pile tests under cyclic loading

NASA Astrophysics Data System (ADS)

Shao, Changming; Desai, Chandra S.

2000-05-01

The disturbed state concept (DSC) model, and a new and simplified procedure for unloading and reloading behavior are implemented in a nonlinear finite element procedure for dynamic analysis for coupled response of saturated porous materials. The DSC model is used to characterize the cyclic behavior of saturated clays and clay-steel interfaces. In the DSC, the relative intact (RI) behavior is characterized by using the hierarchical single surface (HISS) plasticity model; and the fully adjusted (FA) behavior is modeled by using the critical state concept. The DSC model is validated with respect to laboratory triaxial tests for clay and shear tests for clay-steel interfaces. The computer procedure is used to predict field behavior of an instrumented pile subjected to cyclic loading. The predictions provide very good correlation with the field data. They also yield improved results compared to those from a HISS model with anisotropic hardening, partly because the DSC model allows for degradation or softening and interface response.

Functional laser speckle imaging of cerebral blood flow under hypothermia

NASA Astrophysics Data System (ADS)

Li, Minheng; Miao, Peng; Zhu, Yisheng; Tong, Shanbao

2011-08-01

Hypothermia can unintentionally occur in daily life, e.g., in cardiovascular surgery or applied as therapeutics in the neurosciences critical care unit. So far, the temperature-induced spatiotemporal responses of the neural function have not been fully understood. In this study, we investigated the functional change in cerebral blood flow (CBF), accompanied with neuronal activation, by laser speckle imaging (LSI) during hypothermia. Laser speckle images from Sprague-Dawley rats (n = 8, male) were acquired under normothermia (37°C) and moderate hypothermia (32°C). For each animal, 10 trials of electrical hindpaw stimulation were delivered under both temperatures. Using registered laser speckle contrast analysis and temporal clustering analysis (TCA), we found a delayed response peak and a prolonged response window under hypothermia. Hypothermia also decreased the activation area and the amplitude of the peak CBF. The combination of LSI and TCA is a high-resolution functional imaging method to investigate the spatiotemporal neurovascular coupling in both normal and pathological brain functions.

Identification and quantification of cannabinoids in Cannabis sativa L. plants by high performance liquid chromatography-mass spectrometry.

PubMed

Aizpurua-Olaizola, Oier; Omar, Jone; Navarro, Patricia; Olivares, Maitane; Etxebarria, Nestor; Usobiaga, Aresatz

2014-11-01

High performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS) has been successfully applied to cannabis plant extracts in order to identify cannabinoid compounds after their quantitative isolation by means of supercritical fluid extraction (SFE). MS conditions were optimized by means of a central composite design (CCD) approach, and the analysis method was fully validated. Six major cannabinoids [tetrahydrocannabinolic acid (THCA), tetrahydrocannabinol (THC), cannabidiol (CBD), tetrahydrocannabivarin (THCV), cannabigerol (CBG), and cannabinol (CBN)] were quantified (RSD < 10%), and seven more cannabinoids were identified and verified by means of a liquid chromatograph coupled to a quadrupole-time-of-flight (Q-ToF) detector. Finally, based on the distribution of the analyzed cannabinoids in 30 Cannabis sativa L. plant varieties and the principal component analysis (PCA) of the resulting data, a clear difference was observed between outdoor and indoor grown plants, which was attributed to a higher concentration of THC, CBN, and CBD in outdoor grown plants.

Systems analysis of arrestin pathway functions.

PubMed

Maudsley, Stuart; Siddiqui, Sana; Martin, Bronwen

2013-01-01

To fully appreciate the diversity and specificity of complex cellular signaling events, such as arrestin-mediated signaling from G protein-coupled receptor activation, a complex systems-level investigation currently appears to be the best option. A rational combination of transcriptomics, proteomics, and interactomics, all coherently integrated with applied next-generation bioinformatics, is vital for the future understanding of the development, translation, and expression of GPCR-mediated arrestin signaling events in physiological contexts. Through a more nuanced, systems-level appreciation of arrestin-mediated signaling, the creation of arrestin-specific molecular response "signatures" should be made simple and ultimately amenable to drug discovery processes. Arrestin-based signaling paradigms possess important aspects, such as its specific temporal kinetics and ability to strongly affect transcriptional activity, that make it an ideal test bed for next-generation of drug discovery bioinformatic approaches such as multi-parallel dose-response analysis, data texturization, and latent semantic indexing-based natural language data processing and feature extraction. Copyright © 2013 Elsevier Inc. All rights reserved.

Domain-wall excitations in the two-dimensional Ising spin glass

NASA Astrophysics Data System (ADS)

Khoshbakht, Hamid; Weigel, Martin

2018-02-01

The Ising spin glass in two dimensions exhibits rich behavior with subtle differences in the scaling for different coupling distributions. We use recently developed mappings to graph-theoretic problems together with highly efficient implementations of combinatorial optimization algorithms to determine exact ground states for systems on square lattices with up to 10 000 ×10 000 spins. While these mappings only work for planar graphs, for example for systems with periodic boundary conditions in at most one direction, we suggest here an iterative windowing technique that allows one to determine ground states for fully periodic samples up to sizes similar to those for the open-periodic case. Based on these techniques, a large number of disorder samples are used together with a careful finite-size scaling analysis to determine the stiffness exponents and domain-wall fractal dimensions with unprecedented accuracy, our best estimates being θ =-0.2793 (3 ) and df=1.273 19 (9 ) for Gaussian couplings. For bimodal disorder, a new uniform sampling algorithm allows us to study the domain-wall fractal dimension, finding df=1.279 (2 ) . Additionally, we also investigate the distributions of ground-state energies, of domain-wall energies, and domain-wall lengths.

Fiberless multicolor neural optoelectrode for in vivo circuit analysis.

PubMed

Kampasi, Komal; Stark, Eran; Seymour, John; Na, Kyounghwan; Winful, Herbert G; Buzsáki, György; Wise, Kensall D; Yoon, Euisik

2016-08-03

Maximizing the potential of optogenetic approaches in deep brain structures of intact animals requires optical manipulation of neurons at high spatial and temporal resolutions, while simultaneously recording electrical data from those neurons. Here, we present the first fiber-less optoelectrode with a monolithically integrated optical waveguide mixer that can deliver multicolor light at a common waveguide port to achieve multicolor modulation of the same neuronal population in vivo. We demonstrate successful device implementation by achieving efficient coupling between a side-emitting injection laser diode (ILD) and a dielectric optical waveguide mixer via a gradient-index (GRIN) lens. The use of GRIN lenses attains several design features, including high optical coupling and thermal isolation between ILDs and waveguides. We validated the packaged devices in the intact brain of anesthetized mice co-expressing Channelrhodopsin-2 and Archaerhodopsin in pyramidal cells in the hippocampal CA1 region, achieving high quality recording, activation and silencing of the exact same neurons in a given local region. This fully-integrated approach demonstrates the spatial precision and scalability needed to enable independent activation and silencing of the same or different groups of neurons in dense brain regions while simultaneously recording from them, thus considerably advancing the capabilities of currently available optogenetic toolsets.

Integrated Thermal Response Tool for Earth Entry Vehicles

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, F. S.; Partridge, Harry (Technical Monitor)

2001-01-01

A system is presented for multi-dimensional, fully-coupled thermal response modeling of hypersonic entry vehicles. The system consists of a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), a commercial finite-element thermal and mechanical analysis code (MARC), and a high fidelity Navier-Stokes equation solver (GIANTS). The simulations performed by this integrated system include hypersonic flow-field, fluid and solid interaction, ablation, shape change, pyrolysis gas generation and flow, and thermal response of heatshield and structure. The thermal response of the ablating and charring heatshield material is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of both the heatshield and the structure can be obtained simultaneously. Representative computations for a proposed blunt body earth entry vehicle are presented and discussed in detail.