Spacecraft-environment interaction model cross comparison applied to Solar Probe Plus

NASA Astrophysics Data System (ADS)

Lapenta, G.; Deca, J.; Markidis, S.; Marchand, R.; Guillemant, S.; Matéo Vélez, J.; Miyake, Y.; Usui, H.; Ergun, R.; Sturner, A. P.

2013-12-01

Given that our society becomes increasingly dependent on space technology, it is imperative to develop a good understanding of spacecraft-plasma interactions. Two main issues are important. First, one needs to be able to design a reliable spacecraft that can survive in the harsh solar wind conditions, and second a very good knowledge of the behaviour and plasma structure around the spacecraft is required to be able to interpret and correct measurements from onboard instruments and science experiments. In this work we present the results of a cross-comparison study between five spacecraft-plasma models (EMSES, iPic3D, LASP, PTetra, SPIS) used to simulate the interaction of the Solar Probe Plus (SPP) satellite with the space environment under representative solar wind conditions near perihelion. The purpose of this cross-comparison is to assess the consistency and validity of the different numerical approaches from the similarities and differences of their predictions under well defined conditions, with attention to the implicit PIC code iPic3D, which has never been used for spacecraft-environment interaction studies before. The physical effects considered are spacecraft charging, photoelectron and secondary electron emission, the presence of a background magnetic field and density variations. The latter of which can cause the floating potential of SPP to go from negative to positive or visa versa, depending on the solar wind conditions, and spacecraft material properties. Simulation results are presented and compared with increasing levels of complexity in the physics to evaluate the sensitivity of the model predictions to certain physical effects. The comparisons focus particularly on spacecraft floating potential, detailed contributions to the currents collected and emitted by the spacecraft, and on the potential and density spatial profiles near the satellite. Model predictions obtained with our different computational approaches are found to be in good agreement when the physical processes are treated similarly. The comparisons considered here indicate that, with the correct parameterization of important physical effects such as photoemission and secondary electron emission, our simulation models should have the required skill to predict details of satellite-plasma interaction physics with a high level of confidence. This work was supported by the International Space Science Institute in Bern Switzerland. The potential profile around the Solar Probe Plus spacecraft in orbital flow, from the iPic3D code. The physical model includes photo- and secondary electrons and a static magnetic field.

Multimedia Applications in Heterogeneous Internet/ATM Environments.

ERIC Educational Resources Information Center

Wolf, Lars C.

1999-01-01

Discussion of multimedia systems focuses on interaction approaches for the quality of service (QoS) architectures developed for the Internet and for asynchronous transfer mode (ATM). Highlights include interactions, videoconferencing, video on demand, a comparison of the ATM and IntServ QoS architectures, interaction models, and subordination…

Haemodynamics of giant cerebral aneurysm: A comparison between the rigid-wall, one-way and two-way FSI models

NASA Astrophysics Data System (ADS)

Khe, A. K.; Cherevko, A. A.; Chupakhin, A. P.; Bobkova, M. S.; Krivoshapkin, A. L.; Orlov, K. Yu

2016-06-01

In this paper a computer simulation of a blood flow in cerebral vessels with a giant saccular aneurysm at the bifurcation of the basilar artery is performed. The modelling is based on patient-specific clinical data (both flow domain geometry and boundary conditions for the inlets and outlets). The hydrodynamic and mechanical parameters are calculated in the frameworks of three models: rigid-wall assumption, one-way FSI approach, and full (two-way) hydroelastic model. A comparison of the numerical solutions shows that mutual fluid- solid interaction can result in qualitative changes in the structure of the fluid flow. Other characteristics of the flow (pressure, stress, strain and displacement) qualitatively agree with each other in different approaches. However, the quantitative comparison shows that accounting for the flow-vessel interaction, in general, decreases the absolute values of these parameters. Solving of the hydroelasticity problem gives a more detailed solution at a cost of highly increased computational time.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Spatial-temporal distribution of a mechanical load resulting from interaction of laser radiation with a barrier (analytic model)

NASA Astrophysics Data System (ADS)

Fedyushin, B. T.

1992-01-01

The concepts developed earlier are used to propose a simple analytic model describing the spatial-temporal distribution of a mechanical load (pressure, impulse) resulting from interaction of laser radiation with a planar barrier surrounded by air. The correctness of the model is supported by a comparison with experimental results.

Comparison of a Conceptual Groundwater Model and Physically Based Groundwater Mode

NASA Astrophysics Data System (ADS)

Yang, J.; Zammit, C.; Griffiths, J.; Moore, C.; Woods, R. A.

2017-12-01

Groundwater is a vital resource for human activities including agricultural practice and urban water demand. Hydrologic modelling is an important way to study groundwater recharge, movement and discharge, and its response to both human activity and climate change. To understand the groundwater hydrologic processes nationally in New Zealand, we have developed a conceptually based groundwater flow model, which is fully integrated into a national surface-water model (TopNet), and able to simulate groundwater recharge, movement, and interaction with surface water. To demonstrate the capability of this groundwater model (TopNet-GW), we applied the model to an irrigated area with water shortage and pollution problems in the upper Ruamahanga catchment in Great Wellington Region, New Zealand, and compared its performance with a physically-based groundwater model (MODFLOW). The comparison includes river flow at flow gauging sites, and interaction between groundwater and river. Results showed that the TopNet-GW produced similar flow and groundwater interaction patterns as the MODFLOW model, but took less computation time. This shows the conceptually-based groundwater model has the potential to simulate national groundwater process, and could be used as a surrogate for the more physically based model.

A model for adatom structures

NASA Astrophysics Data System (ADS)

Kappus, W.

1981-06-01

A model concerning adatom structures is proposed. Attractive nearest neighbour interactions, which may be of electronic nature lead to 2-dimensional condensation. Every pair bond causes and elastic dipole. The elastic dipoles interact via substrate strains with an anisotropic s -3 power law. Different types of adatoms or sites are permitted and many-body effects result, from the assumptions. Electric dipole interactions of adatoms are included for comparison. The model is applied to the W(110) surface and compared with superstructures experimentally found in the W(110)-0 system. It is found that there is still lack for an additional next-nearest neighbour interaction.

Modeling of electron-specimen interaction in scanning electron microscope for e-beam metrology and inspection: challenges and perspectives

NASA Astrophysics Data System (ADS)

Suzuki, Makoto; Kameda, Toshimasa; Doi, Ayumi; Borisov, Sergey; Babin, Sergey

2018-03-01

The interpretation of scanning electron microscopy (SEM) images of the latest semiconductor devices is not intuitive and requires comparison with computed images based on theoretical modeling and simulations. For quantitative image prediction and geometrical reconstruction of the specimen structure, the accuracy of the physical model is essential. In this paper, we review the current models of electron-solid interaction and discuss their accuracy. We perform the comparison of the simulated results with our experiments of SEM overlay of under-layer, grain imaging of copper interconnect, and hole bottom visualization by angular selective detectors, and show that our model well reproduces the experimental results. Remaining issues for quantitative simulation are also discussed, including the accuracy of the charge dynamics, treatment of beam skirt, and explosive increase in computing time.

Cross-comparison of spacecraft-environment interaction model predictions applied to Solar Probe Plus near perihelion

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

Marchand, R.; Miyake, Y.; Usui, H.

2014-06-15

Five spacecraft-plasma models are used to simulate the interaction of a simplified geometry Solar Probe Plus (SPP) satellite with the space environment under representative solar wind conditions near perihelion. By considering similarities and differences between results obtained with different numerical approaches under well defined conditions, the consistency and validity of our models can be assessed. The impact on model predictions of physical effects of importance in the SPP mission is also considered by comparing results obtained with and without these effects. Simulation results are presented and compared with increasing levels of complexity in the physics of interaction between solar environmentmore » and the SPP spacecraft. The comparisons focus particularly on spacecraft floating potentials, contributions to the currents collected and emitted by the spacecraft, and on the potential and density spatial profiles near the satellite. The physical effects considered include spacecraft charging, photoelectron and secondary electron emission, and the presence of a background magnetic field. Model predictions obtained with our different computational approaches are found to be in agreement within 2% when the same physical processes are taken into account and treated similarly. The comparisons thus indicate that, with the correct description of important physical effects, our simulation models should have the required skill to predict details of satellite-plasma interaction physics under relevant conditions, with a good level of confidence. Our models concur in predicting a negative floating potential V{sub fl}∼−10V for SPP at perihelion. They also predict a “saturated emission regime” whereby most emitted photo- and secondary electron will be reflected by a potential barrier near the surface, back to the spacecraft where they will be recollected.« less

Energetics of protein-DNA interactions.

PubMed

Donald, Jason E; Chen, William W; Shakhnovich, Eugene I

2007-01-01

Protein-DNA interactions are vital for many processes in living cells, especially transcriptional regulation and DNA modification. To further our understanding of these important processes on the microscopic level, it is necessary that theoretical models describe the macromolecular interaction energetics accurately. While several methods have been proposed, there has not been a careful comparison of how well the different methods are able to predict biologically important quantities such as the correct DNA binding sequence, total binding free energy and free energy changes caused by DNA mutation. In addition to carrying out the comparison, we present two important theoretical models developed initially in protein folding that have not yet been tried on protein-DNA interactions. In the process, we find that the results of these knowledge-based potentials show a strong dependence on the interaction distance and the derivation method. Finally, we present a knowledge-based potential that gives comparable or superior results to the best of the other methods, including the molecular mechanics force field AMBER99.

Bayesian Variable Selection for Hierarchical Gene-Environment and Gene-Gene Interactions

PubMed Central

Liu, Changlu; Ma, Jianzhong; Amos, Christopher I.

2014-01-01

We propose a Bayesian hierarchical mixture model framework that allows us to investigate the genetic and environmental effects, gene by gene interactions and gene by environment interactions in the same model. Our approach incorporates the natural hierarchical structure between the main effects and interaction effects into a mixture model, such that our methods tend to remove the irrelevant interaction effects more effectively, resulting in more robust and parsimonious models. We consider both strong and weak hierarchical models. For a strong hierarchical model, both of the main effects between interacting factors must be present for the interactions to be considered in the model development, while for a weak hierarchical model, only one of the two main effects is required to be present for the interaction to be evaluated. Our simulation results show that the proposed strong and weak hierarchical mixture models work well in controlling false positive rates and provide a powerful approach for identifying the predisposing effects and interactions in gene-environment interaction studies, in comparison with the naive model that does not impose this hierarchical constraint in most of the scenarios simulated. We illustrated our approach using data for lung cancer and cutaneous melanoma. PMID:25154630

Use of Molecular Modeling to Determine the Interaction and Competition of Gases within Coal for Carbon Dioxide Sequestration

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

Jeffrey D. Evanseck; Jeffry D. Madura

A 3-dimensional coal structural model for the Argonne Premium Coal Pocahontas No. 3 has been generated. The model was constructed based on the wealth of structural information available in the literature with the enhancement that the structural diversity within the structure was represented implicitly (for the first time) based on image analysis of HRTEM in combination with LDMS data. The complex and large structural model (>10,000 carbon atoms) will serve as a basis for examining the interaction of gases within this low volatile bituminous coal. Simulations are of interest to permit reasonable simulations of the host-guest interactions with regard tomore » carbon dioxide sequestration within coal and methane displacement from coal. The molecular structure will also prove useful in examining other coal related behavior such as solvent swelling, liquefaction and other properties. Molecular models of CO{sub 2} have been evaluated with water to analyze which classical molecular force-field parameters are the most reasonable to predict the interactions of CO{sub 2} with water. The comparison of the molecular force field models was for a single CO{sub 2}-H{sub 2}O complex and was compared against first principles quantum mechanical calculations. The interaction energies and the electrostatic interaction distances were used as criteria in the comparison. The ab initio calculations included Hartree-Fock, B3LYP, and Moeller-Plesset 2nd, 3rd, and 4th order perturbation theories with basis sets up to the aug-cc-pvtz basis set. The Steele model was the best literature model, when compared to the ab initio data, however, our new CO{sub 2} model reproduces the QM data significantly better than the Steele force-field model.« less

Shape: A 3D Modeling Tool for Astrophysics.

PubMed

Steffen, Wolfgang; Koning, Nicholas; Wenger, Stephan; Morisset, Christophe; Magnor, Marcus

2011-04-01

We present a flexible interactive 3D morpho-kinematical modeling application for astrophysics. Compared to other systems, our application reduces the restrictions on the physical assumptions, data type, and amount that is required for a reconstruction of an object's morphology. It is one of the first publicly available tools to apply interactive graphics to astrophysical modeling. The tool allows astrophysicists to provide a priori knowledge about the object by interactively defining 3D structural elements. By direct comparison of model prediction with observational data, model parameters can then be automatically optimized to fit the observation. The tool has already been successfully used in a number of astrophysical research projects.

Multipartite interacting scalar dark matter in the light of updated LUX data

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

Bhattacharya, Subhaditya; Ghosh, Purusottam; Poulose, Poulose, E-mail: subhab@iitg.ernet.in, E-mail: p.ghosh@iitg.ernet.in, E-mail: poulose@iitg.ernet.in

2017-04-01

We explore constraints on multipartite dark matter (DM) framework composed of singlet scalar DM interacting with the Standard Model (SM) through Higgs portal coupling. We compute relic density and direct search constraints including the updated LUX bound for two component scenario with non-zero interactions between two DM components in Z{sub 2} × Z{sub 2}{sup '} framework in comparison with the one having O(2) symmetry. We point out availability of a significantly large region of parameter space of such a multipartite model with DM-DM interactions.

Comparison of photon attenuation coefficients (2-150 KeV) for diagnostic imaging simulations

NASA Astrophysics Data System (ADS)

Dodge, Charles W., III; Flynn, Michael J.

2004-05-01

The Radiology Research Laboratory at the Henry Ford Hospital has been involved in modeling x-ray units in order to predict image quality. A critical part of that modeling process is the accurate choice of interaction coefficients. This paper serves as a review and comparison of existing interaction models. Our objective was to obtain accurate and easily calculated interaction coefficients, at diagnostically relevant energies. We obtained data from: McMaster, Lawrence Berkeley Lab data (LBL), XCOM and FFAST Data from NIST, and the EPDL-97 database via LLNL. Our studies involve low energy photons; therefore, comparisons were limited to Coherent (Rayleigh), Incoherent (Compton) and Photoelectric effects, which were summed to determine a total interaction cross section. Without measured data, it becomes difficult to definitively choose the most accurate method. However, known limitations in the McMaster data and smoothing of photo-edge transitions can be used as a guide to establish more valid approaches. Each method was compared to one another graphically and at individual points. We found that agreement between all methods was excellent when away from photo-edges. Near photo-edges and at low energies, most methods were less accurate. Only the Chanter (FFAST) data seems to have consistently and accurately predicted the placement of edges (through M-shell), while minimizing smoothing errors. The EPDL-97 data by LLNL was the best over method in predicting coherent and incoherent cross sections.

Use of a PhET Interactive Simulation in General Chemistry Laboratory: Models of the Hydrogen Atom

ERIC Educational Resources Information Center

Clark, Ted M.; Chamberlain, Julia M.

2014-01-01

An activity supporting the PhET interactive simulation, Models of the Hydrogen Atom, has been designed and used in the laboratory portion of a general chemistry course. This article describes the framework used to successfully accomplish implementation on a large scale. The activity guides students through a comparison and analysis of the six…

Prediction of nearfield jet entrainment by an interactive mixing/afterburning model

NASA Technical Reports Server (NTRS)

Dash, S. M.; Pergament, H. S.; Wilmoth, R. G.

1978-01-01

The development of a computational model (BOAT) for calculating nearfield jet entrainment, and its application to the prediction of nozzle boattail pressures, is discussed. BOAT accounts for the detailed turbulence and thermochemical processes occurring in the nearfield shear layers of jet engine (and rocket) exhaust plumes while interfacing with the inviscid exhaust and external flowfield regions in an overlaid, interactive manner. The ability of the model to analyze simple free shear flows is assessed by detailed comparisons with fundamental laboratory data. The overlaid methodology and the entrainment correction employed to yield the effective plume boundary conditions are assessed via application of BOAT in conjunction with the codes comprising the NASA/LRC patched viscous/inviscid model for determining nozzle boattail drag for subsonic/transonic external flows. Comparisons between the predictions and data on underexpanded laboratory cold air jets are presented.

sdg boson model in the SU(3) scheme

NASA Astrophysics Data System (ADS)

Akiyama, Yoshimi

1985-02-01

Basic properties of the interacting boson model with s-, d- and g-bosons are investigated in rotational nuclei. An SU(3)-seniority scheme is found for the classification of physically important states according to a group reduction chain U(15) ⊃ SU(3). The capability of describing rotational bands increases enormously in comparison with the ordinary sd interacting boson model. The sdg boson model is shown to be able to describe the so-called anharmonicity effect recently observed in the 168Er nucleus.

Sensitivity Analysis to Turbulent Combustion Models for Combustor-Turbine Interactions

NASA Astrophysics Data System (ADS)

Miki, Kenji; Moder, Jeff; Liou, Meng-Sing

2017-11-01

The recently-updated Open National CombustionCode (Open NCC) equipped with alarge-eddy simulation (LES) is applied to model the flow field inside the Energy Efficient Engine (EEE) in conjunction with sensitivity analysis to turbulent combustion models. In this study, we consider three different turbulence-combustion interaction models, the Eddy-Breakup model (EBU), the Linear-Eddy Model (LEM) and the Probability Density Function (PDF)model as well as the laminar chemistry model. Acomprehensive comparison of the flow field and the flame structure will be provided. One of our main interests isto understand how a different model predicts thermal variation on the surface of the first stage vane. Considering that these models are often used in combustor/turbine communities, this study should provide some guidelines on numerical modeling of combustor-turbine interactions.

Conceptual Change through Changing the Process of Comparison

ERIC Educational Resources Information Center

Wasmann-Frahm, Astrid

2009-01-01

Classification can serve as a tool for conceptualising ideas about vertebrates. Training enhances classification skills as well as sharpening concepts. The method described in this paper is based on the "hybrid-model" of comparison that proposes two independently working processes: associative and theory-based. The two interact during a…

Modeling of Nonlinear Optical Response in Gaseous Media and Its Comparison with Experiment

NASA Astrophysics Data System (ADS)

Xia, Yi

This thesis demonstrates the model and application of nonlinear optical response with Metastable Electronic State Approach (MESA) in ultrashort laser propagation and verifies accuracy of MESA through extensive comparison with experimental data. The MESA is developed from quantum mechanics to describe the nonlinear off-resonant optical response together with strong-field ionization in gaseous medium. The conventional light-matter interaction models are based on a piece-wise approach where Kerr effect and multi-photon ionization are treated as independent nonlinear responses. In contrast, MESA is self-consistent as the response from freed electrons and bound electrons are microscopically linked. It also can be easily coupled to the Unidirectional Pulse Propagation Equations (UPPE) for large scale simulation of experiments. This work tests the implementation of MESA model in simulation of nonlinear phase transients of ultrashort pulse propagation in a gaseous medium. The phase transient has been measured through Single-Shot Supercontinuum Spectral Interferometry. This technique can achieve high temporal resolution (10 fs) and spatial resolution (5 mum). Our comparison between simulation and experiment gives a quantitive test of MESA model including post-adiabatic corrections. This is the first time such a comparison was achieved for a theory suitable for large scale numerical simulation of modern nonlinear-optics experiments. In more than one respect, ours is a first-of-a-kind achievement. In particular, • Large amount of data are compared. We compare the data of nonlinear response induced by different pump intensity in Ar and Nitrogen. The data sets are three dimensions including two transverse spacial dimensions and one axial temporal dimension which reflect the whole structure of nonlinear response including the interplay between Kerr and plasma-induced effects. The resolutions of spatial and temporal dimension are about a few micrometer and several femtosecond. • The regime of light-matter interaction investigated here is between the strong and perturbative, where the pulse intensity can induce nonlinear refractive index change and partial ionization of dielectric medium. Obviously, such regimes are difficult to study both experimentally and theoretically. • MESA is a quantum based model, but it retains the same computation complexity as conventional light-matter interaction model. MESA contains the response from both bound and continuum states in a single self-consistent "Package". So, it is fair to say that this experiment-theory comparison sets a new standard for nonlinear light-matter interaction models and their verification in the area of extreme nonlinear optics.

Air-sea interactions during strong winter extratropical storms

USGS Publications Warehouse

Nelson, Jill; He, Ruoying; Warner, John C.; Bane, John

2014-01-01

A high-resolution, regional coupled atmosphere–ocean model is used to investigate strong air–sea interactions during a rapidly developing extratropical cyclone (ETC) off the east coast of the USA. In this two-way coupled system, surface momentum and heat fluxes derived from the Weather Research and Forecasting model and sea surface temperature (SST) from the Regional Ocean Modeling System are exchanged via the Model Coupling Toolkit. Comparisons are made between the modeled and observed wind velocity, sea level pressure, 10 m air temperature, and sea surface temperature time series, as well as a comparison between the model and one glider transect. Vertical profiles of modeled air temperature and winds in the marine atmospheric boundary layer and temperature variations in the upper ocean during a 3-day storm period are examined at various cross-shelf transects along the eastern seaboard. It is found that the air–sea interactions near the Gulf Stream are important for generating and sustaining the ETC. In particular, locally enhanced winds over a warm sea (relative to the land temperature) induce large surface heat fluxes which cool the upper ocean by up to 2 °C, mainly during the cold air outbreak period after the storm passage. Detailed heat budget analyses show the ocean-to-atmosphere heat flux dominates the upper ocean heat content variations. Results clearly show that dynamic air–sea interactions affecting momentum and buoyancy flux exchanges in ETCs need to be resolved accurately in a coupled atmosphere–ocean modeling framework.

Experimental comparison of residual stresses for a thermomechanical model for the simulation of selective laser melting

DOE PAGES

Hodge, N. E.; Ferencz, R. M.; Vignes, R. M.

2016-05-30

Selective laser melting (SLM) is an additive manufacturing process in which multiple, successive layers of metal powders are heated via laser in order to build a part. Modeling of SLM requires consideration of the complex interaction between heat transfer and solid mechanics. Here, the present work describes the authors initial efforts to validate their first generation model. In particular, the comparison of model-generated solid mechanics results, including both deformation and stresses, is presented. Additionally, results of various perturbations of the process parameters and modeling strategies are discussed.

The atmospheric effects of stratospheric aircraft. Report of the 1992 Models and Measurements Workshop. Volume 2: Comparisons with global atmospheric measurements

NASA Technical Reports Server (NTRS)

Prather, Michael J. (Editor); Remsberg, Ellis E. (Editor)

1993-01-01

This Workshop on Stratospheric Models and Measurements (M&M) marks a significant expansion in the history of model intercomparisons. It provides a foundation for establishing the credibility of stratospheric models used in environmental assessments of chlorofluorocarbons, aircraft emissions, and climate-chemistry interactions. The core of the M&M comparisons involves the selection of observations of the current stratosphere (i.e., within the last 15 years): these data are believed to be accurate and representative of certain aspects of stratospheric chemistry and dynamics that the models should be able to simulate.

Exploring the Rhetorical Use of Interactional Metadiscourse: A Comparison of Letters to Shareholders of American and Chinese Financial Companies

ERIC Educational Resources Information Center

Xiaoqin, Liu

2017-01-01

By taking Hyland and Tse's (2004) interactional metadiscourse model, this study attempts to compare the incidence of the interactional metadiscourse markers in letters to shareholders of American and Chinese companies in the financial industry and their rhetorical functions. This study makes American corpus of 41 letters and Chinese corpus of 37…

A Comparison of Approaches for the Analysis of Interaction Effects between Latent Variables Using Partial Least Squares Path Modeling

ERIC Educational Resources Information Center

Henseler, Jorg; Chin, Wynne W.

2010-01-01

In social and business sciences, the importance of the analysis of interaction effects between manifest as well as latent variables steadily increases. Researchers using partial least squares (PLS) to analyze interaction effects between latent variables need an overview of the available approaches as well as their suitability. This article…

The importance of multi-level Rydberg interaction in electric field tuned Förster resonances

NASA Astrophysics Data System (ADS)

Kondo, Jorge; Booth, Donald; Gonçalves, Luis; Shaffer, James; Marcassa, Luis

2016-05-01

Many-body physics has been investigated in ultracold Rydberg atom systems, mainly because important parameters, such as density and interaction strength, can be controlled. Several puzzling experimental observations on Förster resonances have been associated to many-body effects, usually by comparison to complex theoretical models. In this work, we investigate the dc electric field dependence of 2 Förster resonant processes in ultracold 85 Rb, 37D5 / 2 + 37D5 / 2 --> 35 L(L = O , Q) + 39P3 / 2 , as a function of the atomic density in an optical dipole trap. At low densities, the 39 P yield as a function of electric field exhibits resonances. With increasing density, the linewidths increase until the peaks merge. Even under these extreme conditions, where many-body effects were expected to play a role, the 39 P population depends quadratically on the total Rydberg atom population. In order to explain our results, we implement a theoretical model which takes into account the multi-level character of the interactions and Rydberg atom blockade process using only atom pair interactions. The comparison between the experimental data and the model is very good, suggesting that the Förster resonant processes are dominated by 2-body interactions. This work is supported by FAPESP, AFOSR, NSF, INCT-IQ and CNPq.

Ensemble urban flood simulation in comparison with laboratory-scale experiments: Impact of interaction models for manhole, sewer pipe, and surface flow

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; Lee, Seungsoo; An, Hyunuk; Kawaike, Kenji; Nakagawa, Hajime

2016-11-01

An urban flood is an integrated phenomenon that is affected by various uncertainty sources such as input forcing, model parameters, complex geometry, and exchanges of flow among different domains in surfaces and subsurfaces. Despite considerable advances in urban flood modeling techniques, limited knowledge is currently available with regard to the impact of dynamic interaction among different flow domains on urban floods. In this paper, an ensemble method for urban flood modeling is presented to consider the parameter uncertainty of interaction models among a manhole, a sewer pipe, and surface flow. Laboratory-scale experiments on urban flood and inundation are performed under various flow conditions to investigate the parameter uncertainty of interaction models. The results show that ensemble simulation using interaction models based on weir and orifice formulas reproduces experimental data with high accuracy and detects the identifiability of model parameters. Among interaction-related parameters, the parameters of the sewer-manhole interaction show lower uncertainty than those of the sewer-surface interaction. Experimental data obtained under unsteady-state conditions are more informative than those obtained under steady-state conditions to assess the parameter uncertainty of interaction models. Although the optimal parameters vary according to the flow conditions, the difference is marginal. Simulation results also confirm the capability of the interaction models and the potential of the ensemble-based approaches to facilitate urban flood simulation.

Estimating Latent Variable Interactions with Nonnormal Observed Data: A Comparison of Four Approaches

ERIC Educational Resources Information Center

Cham, Heining; West, Stephen G.; Ma, Yue; Aiken, Leona S.

2012-01-01

A Monte Carlo simulation was conducted to investigate the robustness of 4 latent variable interaction modeling approaches (Constrained Product Indicator [CPI], Generalized Appended Product Indicator [GAPI], Unconstrained Product Indicator [UPI], and Latent Moderated Structural Equations [LMS]) under high degrees of nonnormality of the observed…

Benchmarking carbon-nitrogen interactions in Earth System Models to observations: An inter-comparison of nitrogen limitation in global land surface models with carbon and nitrogen cycles (CLM-CN and O-CN)

NASA Astrophysics Data System (ADS)

Thomas, R. Q.; Zaehle, S.; Templer, P. H.; Goodale, C. L.

2011-12-01

Predictions of climate change depend on accurately modeling the feedbacks among the carbon cycle, nitrogen cycle, and climate system. Several global land surface models have shown that nitrogen limitation determines how land carbon fluxes respond to rising CO2, nitrogen deposition, and climate change, thereby influencing predictions of climate change. However, the magnitude of the carbon-nitrogen-climate feedbacks varies considerably by model, leading to critical and timely questions of why they differ and how they compare to field observations. To address these questions, we initiated a model inter-comparison of spatial patterns and drivers of nitrogen limitation. The experiment assessed the regional consequences of sustained nitrogen additions in a set of 25-year global nitrogen fertilization simulations. The model experiments were designed to cover effects from small changes in nitrogen inputs associated with plausible increases in nitrogen deposition to large changes associated with field-based nitrogen fertilization experiments. The analyses of model simulations included assessing the geographically varying degree of nitrogen limitation on plant and soil carbon cycling and the mechanisms underlying model differences. Here, we present results from two global land-surface models (CLM-CN and O-CN) with differing approaches to modeling carbon-nitrogen interactions. The predictions from each model were compared to a set of globally distributed observational data that includes nitrogen fertilization experiments, 15N tracer studies, small catchment nitrogen input-output studies, and syntheses across nitrogen deposition gradients. Together these datasets test many aspects of carbon-nitrogen coupling and are able to differentiate between the two models. Overall, this study is the first to explicitly benchmark carbon and nitrogen interactions in Earth System Models using a range of observations and is a foundation for future inter-comparisons.

Automated optimization of water-water interaction parameters for a coarse-grained model.

PubMed

Fogarty, Joseph C; Chiu, See-Wing; Kirby, Peter; Jakobsson, Eric; Pandit, Sagar A

2014-02-13

We have developed an automated parameter optimization software framework (ParOpt) that implements the Nelder-Mead simplex algorithm and applied it to a coarse-grained polarizable water model. The model employs a tabulated, modified Morse potential with decoupled short- and long-range interactions incorporating four water molecules per interaction site. Polarizability is introduced by the addition of a harmonic angle term defined among three charged points within each bead. The target function for parameter optimization was based on the experimental density, surface tension, electric field permittivity, and diffusion coefficient. The model was validated by comparison of statistical quantities with experimental observation. We found very good performance of the optimization procedure and good agreement of the model with experiment.

Application of an Optical Model to the Interaction of the $pi$ Meson with the Nucleus in the $pi$ Mesic Atom (thesis); APPLICATION D'UN MODELE OPTIQUE POUR L'INTERACTION DU MESON $pi$ MESIQUE (THESE)

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

Berthet, M.

1963-01-01

The energy levels and their displacement DELTA E with respect to that of a meson placed in a coulomb potential are determined and compared with the experimental values. This comparison permits the selection of values for the parameters introduced by the hypothesis of the optical model. The absorption in the nucleus is studied using the hamiltonian of the nucleon- pi meson interaction and not th optical model. The results are compared with experimen values. As an introduction, the exact form of the interac tion of mesons with nuclei is defined by adopting the opti model. (J.S.R.)

Flight and wind-tunnel comparisons of the inlet-airframe interaction of the F-15 airplane

NASA Technical Reports Server (NTRS)

Webb, L. D.; Andriyich-Varda, D.; Whitmore, S. A.

1984-01-01

The design of inlets and nozzles and their interactions with the airplane which may account for a large percentage of the total drag of modern high performance aircraft is discussed. The inlet/airframe interactions program and the flight tests conducted is described. Inlet drag and lift data from a 7.5% wind-tunnel model are compared with data from an F-15 airplane with instrumentation to match the model. Pressure coefficient variations with variable cowl angles, capture ratios, examples of flow interactions and angles of attack are for Mach numbers of 0.6, 0.9, 1.2, and 1.5 are presented.

The display of molecular models with the Ames Interactive Modeling System (AIMS)

NASA Technical Reports Server (NTRS)

Egan, J. T.; Hart, J.; Burt, S. K.; Macelroy, R. D.

1982-01-01

A visualization of molecular models can lead to a clearer understanding of the models. Sophisticated graphics devices supported by minicomputers make it possible for the chemist to interact with the display of a very large model, altering its structure. In addition to user interaction, the need arises also for other ways of displaying information. These include the production of viewgraphs, film presentation, as well as publication quality prints of various models. To satisfy these needs, the display capability of the Ames Interactive Modeling System (AIMS) has been enhanced to provide a wide range of graphics and plotting capabilities. Attention is given to an overview of the AIMS system, graphics hardware used by the AIMS display subsystem, a comparison of graphics hardware, the representation of molecular models, graphics software used by the AIMS display subsystem, the display of a model obtained from data stored in molecule data base, a graphics feature for obtaining single frame permanent copy displays, and a feature for producing multiple frame displays.

Effects of septum and pericardium on heart-lung interactions in a cardiopulmonary simulation model.

PubMed

Karamolegkos, Nikolaos; Albanese, Antonio; Chbat, Nicolas W

2017-07-01

Mechanical heart-lung interactions are often overlooked in clinical settings. However, their impact on cardiac function can be quite significant. Mechanistic physiology-based models can provide invaluable insights into such cardiorespiratory interactions, which occur not only under external mechanical ventilatory support but in normal physiology as well. In this work, we focus on the cardiac component of a previously developed mathematical model of the human cardiopulmonary system, aiming to improve the model's response to the intrathoracic pressure variations that are associated with the respiratory cycle. Interventricular septum and pericardial membrane are integrated into the existing model. Their effect on the overall cardiac response is explained by means of comparison against simulation results from the original model as well as experimental data from literature.

Constraining Centennial-Scale Ecosystem-Climate Interactions with a Pre-colonial Forest Reconstruction across the Upper Midwest and Northeastern United States

NASA Astrophysics Data System (ADS)

Matthes, J. H.; Dietze, M.; Fox, A. M.; Goring, S. J.; McLachlan, J. S.; Moore, D. J.; Poulter, B.; Quaife, T. L.; Schaefer, K. M.; Steinkamp, J.; Williams, J. W.

2014-12-01

Interactions between ecological systems and the atmosphere are the result of dynamic processes with system memories that persist from seconds to centuries. Adequately capturing long-term biosphere-atmosphere exchange within earth system models (ESMs) requires an accurate representation of changes in plant functional types (PFTs) through time and space, particularly at timescales associated with ecological succession. However, most model parameterization and development has occurred using datasets than span less than a decade. We tested the ability of ESMs to capture the ecological dynamics observed in paleoecological and historical data spanning the last millennium. Focusing on an area from the Upper Midwest to New England, we examined differences in the magnitude and spatial pattern of PFT distributions and ecotones between historic datasets and the CMIP5 inter-comparison project's large-scale ESMs. We then conducted a 1000-year model inter-comparison using six state-of-the-art biosphere models at sites that bridged regional temperature and precipitation gradients. The distribution of ecosystem characteristics in modeled climate space reveals widely disparate relationships between modeled climate and vegetation that led to large differences in long-term biosphere-atmosphere fluxes for this region. Model simulations revealed that both the interaction between climate and vegetation and the representation of ecosystem dynamics within models were important controls on biosphere-atmosphere exchange.

The < ln A > study with the Muon tracking detector in the KASCADE-Grande experiment - comparison of hadronic interaction models

NASA Astrophysics Data System (ADS)

Łuczak, P.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Curcio, C.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Fuchs, B.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.

2015-08-01

With the KASCADE-Grande Muon Tracking Detector it was possible to measure with high accuracy directions of EAS muons with energy above 0.8 GeV and up to 700 m distance from the shower centre. Reconstructed muon tracks allow investigation of muon pseudorapidity (η) distributions. These distributions are nearly identical to the pseudorapidity distributions of their parent mesons produced in hadronic interactions. Comparison of the η distributions from measured and simulated showers can be used to test the quality of the high energy hadronic interaction models. The pseudorapidity distributions reflect the longitudinal development of EAS and, as such, are sensitive to the mass of the cosmic ray primary particles. With various parameters of the η distribution, obtained from the Muon Tracking Detector data, it is possible to calculate the average logarithm of mass of the primary cosmic ray particles. The results of the < ln A > analysis in the primary energy range 1016 eV-1017 eV with the 1st quartile and the mean value of the distributions will be presented for the QGSJet-II-2, QGSJet-II-4, EPOS 1.99 and EPOS LHC models in combination with the FLUKA model.

A structural comparison of 'real' and 'model' calmodulin clarified allosteric interactions regulating domain motion.

PubMed

Shimoyama, Hiromitsu

2018-05-07

Calmodulin (CaM) is a multifunctional calcium-binding protein, which regulates various biochemical processes. CaM acts via structural changes and complex forming with its target enzymes. CaM has two globular domains (N-lobe and C-lobe) connected by a long linker region. Upon calcium binding, the N-lobe and C-lobe undergo local conformational changes, after that, entire CaM wraps the target enzyme through a large conformational change. However, the regulation mechanism, such as allosteric interactions regulating the conformational changes, is still unclear. In order to clarify the allosteric interactions, in this study, experimentally obtained 'real' structures are compared to 'model' structures lacking the allosteric interactions. As the allosteric interactions would be absent in calcium-free CaM (apo-CaM), allostery-eliminated calcium-bound CaM (holo-CaM) models were constructed by combining the apo-CaM's linker and the holo-CaM's N- and C-lobe. Before the comparison, the 'real' and 'model' structures were clustered and cluster-cluster relationship was determined by a principal component analysis. The structures were compared based on the relationship, then, a distance map and a contact probability analysis clarified that the inter-domain motion is regulated by several groups of inter-domain contacting residue pairs. The analyses suggested that these residues cause inter-domain translation and rotation, and as a consequence, the motion encourage structural diversity. The resultant diversity would contribute to the functional versatility of CaM.

Comparative study on collaborative interaction in non-immersive and immersive systems

NASA Astrophysics Data System (ADS)

Shahab, Qonita M.; Kwon, Yong-Moo; Ko, Heedong; Mayangsari, Maria N.; Yamasaki, Shoko; Nishino, Hiroaki

2007-09-01

This research studies the Virtual Reality simulation for collaborative interaction so that different people from different places can interact with one object concurrently. Our focus is the real-time handling of inputs from multiple users, where object's behavior is determined by the combination of the multiple inputs. Issues addressed in this research are: 1) The effects of using haptics on a collaborative interaction, 2) The possibilities of collaboration between users from different environments. We conducted user tests on our system in several cases: 1) Comparison between non-haptics and haptics collaborative interaction over LAN, 2) Comparison between non-haptics and haptics collaborative interaction over Internet, and 3) Analysis of collaborative interaction between non-immersive and immersive display environments. The case studies are the interaction of users in two cases: collaborative authoring of a 3D model by two users, and collaborative haptic interaction by multiple users. In Virtual Dollhouse, users can observe physics law while constructing a dollhouse using existing building blocks, under gravity effects. In Virtual Stretcher, multiple users can collaborate on moving a stretcher together while feeling each other's haptic motions.

The MINERvA Experiment

NASA Astrophysics Data System (ADS)

Betancourt, Minerba; Minerva Collaboration

2017-01-01

MINERvA is a neutrino scattering experiment to make precision measurements of cross sections and investigate nuclear effects. A precise understanding of neutrino interactions is crucial for the neutrino oscillation program. Several cross sections will be presented, including pion production, kaon production as well as direct comparisons of the same process on different nuclei. Comparisons with theoretical models are reported.

Transonic flow about a thick circular-arc airfoil

NASA Technical Reports Server (NTRS)

Mcdevitt, J. B.; Levy, L. L., Jr.; Deiwert, G. S.

1975-01-01

An experimental and theoretical study of transonic flow over a thick airfoil, prompted by a need for adequately documented experiments that could provide rigorous verification of viscous flow simulation computer codes, is reported. Special attention is given to the shock-induced separation phenomenon in the turbulent regime. Measurements presented include surface pressures, streamline and flow separation patterns, and shadowgraphs. For a limited range of free-stream Mach numbers the airfoil flow field is found to be unsteady. Dynamic pressure measurements and high-speed shadowgraph movies were taken to investigate this phenomenon. Comparisons of experimentally determined and numerically simulated steady flows using a new viscous-turbulent code are also included. The comparisons show the importance of including an accurate turbulence model. When the shock-boundary layer interaction is weak the turbulence model employed appears adequate, but when the interaction is strong, and extensive regions of separation are present, the model is inadequate and needs further development.

Experimental and Numerical Investigation of Adsorption/Desorption in Packed Sorption Beds Under Ideal and Non-Ideal Flows

NASA Technical Reports Server (NTRS)

Mohamadinejad, H.; Knox, J. C.; Smith, James E.

1999-01-01

The importance of the wall effect on packed beds in the adsorption and desorption of carbon dioxide, nitrogen, and water on molecular sieve 5A of 0.127 cm in radius is examined experimentally and with one-dimensional computer simulations. Experimental results are presented for a 22.5-cm long by 4.5-cm diameter cylindrical column with concentration measurements taken at various radial locations. The set of partial differential equations are solved using finite differences and Newman's method. Comparison of test data with the axial-dispersed, non-isothermal, linear driving force model suggests that a two-dimensional model (submitted to Separation Science and Technology) is required for accurate simulation of the average column breakthrough concentration. Additional comparisons of test data with the model provided information on the interactive effects of carrier gas coadsorption with CO2, as well as CO2-H2O interactions.

GOTHiC, a probabilistic model to resolve complex biases and to identify real interactions in Hi-C data.

PubMed

Mifsud, Borbala; Martincorena, Inigo; Darbo, Elodie; Sugar, Robert; Schoenfelder, Stefan; Fraser, Peter; Luscombe, Nicholas M

2017-01-01

Hi-C is one of the main methods for investigating spatial co-localisation of DNA in the nucleus. However, the raw sequencing data obtained from Hi-C experiments suffer from large biases and spurious contacts, making it difficult to identify true interactions. Existing methods use complex models to account for biases and do not provide a significance threshold for detecting interactions. Here we introduce a simple binomial probabilistic model that resolves complex biases and distinguishes between true and false interactions. The model corrects biases of known and unknown origin and yields a p-value for each interaction, providing a reliable threshold based on significance. We demonstrate this experimentally by testing the method against a random ligation dataset. Our method outperforms previous methods and provides a statistical framework for further data analysis, such as comparisons of Hi-C interactions between different conditions. GOTHiC is available as a BioConductor package (http://www.bioconductor.org/packages/release/bioc/html/GOTHiC.html).

An investigation of rotor harmonic noise by the use of small scale wind tunnel models

NASA Technical Reports Server (NTRS)

Sternfeld, H., Jr.; Schaffer, E. G.

1982-01-01

Noise measurements of small scale helicopter rotor models were compared with noise measurements of full scale helicopters to determine what information about the full scale helicopters could be derived from noise measurements of small scale helicopter models. Comparisons were made of the discrete frequency (rotational) noise for 4 pairs of tests. Areas covered were tip speed effects, isolated rotor, tandem rotor, and main rotor/tail rotor interaction. Results show good comparison of noise trends with configuration and test condition changes, and good comparison of absolute noise measurements with the corrections used except for the isolated rotor case. Noise measurements of the isolated rotor show a great deal of scatter reflecting the fact that the rotor in hover is basically unstable.

Modeling the Radiation Belts During a Geomagnetic Storm

NASA Astrophysics Data System (ADS)

Glocer, A.; Fok, M.; Toth, G.

2009-05-01

We utilize the Radiation Belt Environment (RBE) model to simulate the radiation belt electrons during a geomagnetic storm. Particularly, we focus on the relative contribution of whistler mode wave-particle interactions and radial diffusion associated with rapid changes in the magnetospheric magnetic field. In our study, the RBE model obtains a realistic magnetic field from the BATS-R-US magnetosphere model at a regular, but adjustable, cadence. We simulate the storm with and without wave particle interactions, and with different frequencies for updating the magnetic field. The impacts of the wave-particle interactions, and the rapid variations in the magnetospheric magnetic field, can then be studied. Simulation results are also extracted along various satellite trajectories for direct comparison where appropriate.

One-particle inclusive and semi-inclusive spectra of. lambda. hyperons in p-barp interactions at 32 GeV/c

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

Bogolyubskii-breve, M.Y.; Vinitskii-breve, A.A.; Ermolov, P.F.

1986-05-01

Inclusive and semi-inclusive ..lambda..-hyperon spectra in p-barp interactions at 32 GeV/c are presented. The processes whereby ..lambda.. hyperons are produced in various channels are analyzed by comparison with the predictions of the Lund model and with dual-topological-unitarization (DTU)-based models. The ..lambda..-hyperon characteristics differ from those predicted in the Lund model. The main cause of the differences is that multiple production of particles is represented in this model in terms of breaking of one string, thereby excluding correlation effects between the vertices.

Application of a post-collisional-interaction distorted-wave model for (e, 2e) of some atomic targets and methane

NASA Astrophysics Data System (ADS)

Chinoune, M.; Houamer, S.; Dal Cappello, C.; Galstyan, A.

2016-10-01

Recently Isik et al (2016 J. Phys B: At. Mol. Opt. Phys. 49 065203) performed measurements of the triple differential cross sections (TDCSs) of methane by electron impact. Their data clearly show that post-collisional interaction (PCI) effects are present in the angular distributions of ejected electrons. A model describing the ejected electron by a distorted wave and including PCI is applied for the single ionization of atomic targets and for methane. Extensive comparisons between this model and other previous models are made with available experiments.

Modeling and Analysis of Power Processing Systems. [use of a digital computer for designing power plants

NASA Technical Reports Server (NTRS)

Fegley, K. A.; Hayden, J. H.; Rehmann, D. W.

1974-01-01

The feasibility of formulating a methodology for the modeling and analysis of aerospace electrical power processing systems is investigated. It is shown that a digital computer may be used in an interactive mode for the design, modeling, analysis, and comparison of power processing systems.

Evaluating Mental Models in Mathematics: A Comparison of Methods

ERIC Educational Resources Information Center

Gogus, Aytac

2013-01-01

Cognitive scientists investigate mental models (how humans organize and structure knowledge in their minds) so as to understand human understanding of and interactions with the world. Cognitive and mental model research is concerned with internal conceptual systems that are not easily or directly observable. The goal of this research was to…

Test of Hadronic Interaction Models with the KASCADE Hadron Calorimeter

NASA Astrophysics Data System (ADS)

Milke, J.; KASCADE Collaboration

The interpretation of extensive air shower (EAS) measurements often requires the comparison with EAS simulations based on high-energy hadronic interaction models. These interaction models have to extrapolate into kinematical regions and energy ranges beyond the limit of present accelerators. Therefore, it is necessary to test whether these models are able to describe the EAS development in a consistent way. By measuring simultaneously the hadronic, electromagnetic, and muonic part of an EAS the experiment KASCADE offers best facilities for checking the models. For the EAS simulations the program CORSIKA with several hadronic event generators implemented is used. Different hadronic observables, e.g. hadron number, energy spectrum, lateral distribution, are investigated, as well as their correlations with the electromagnetic and muonic shower size. By comparing measurements and simulations the consistency of the description of the EAS development is checked. First results with the new interaction model NEXUS and the version II.5 of the model DPMJET, recently included in CORSIKA, are presented and compared with QGSJET simulations.

A comparison of the biological properties of small molecular weight agonists and antagonists of CD200:CD200R interactions.

PubMed

Gorczynski, Reg; Boudakov, Ivo; Khatri, Ismat

2008-11-01

Our laboratory and others have documented in some detail the immunological consequences which follow from interaction of the ubiquitously expressed molecule CD200 with its receptor(s) CD200R (expressed predominantly on cells of myeloid and lymphoid origin). In particular, there is evidence that these interactions lead to immunosuppressive signals which modulate graft rejection responses; decrease the manifestations of arthritis in rodent models; diminish mast cell mediator release in models of allergic disease; and favour the growth of tumors in both mice and humans. The development of small molecular weight agonists (and/or antagonists) of these interactions would thus likely have significant clinical importance. The data reported herein characterizes several such molecules in a number of rodent models.

Effects of economic interactions on credit risk

NASA Astrophysics Data System (ADS)

Hatchett, J. P. L.; Kühn, R.

2006-03-01

We study a credit-risk model which captures effects of economic interactions on a firm's default probability. Economic interactions are represented as a functionally defined graph, and the existence of both cooperative and competitive business relations is taken into account. We provide an analytic solution of the model in a limit where the number of business relations of each company is large, but the overall fraction of the economy with which a given company interacts may be small. While the effects of economic interactions are relatively weak in typical (most probable) scenarios, they are pronounced in situations of economic stress, and thus lead to a substantial fattening of the tails of loss distributions in large loan portfolios. This manifests itself in a pronounced enhancement of the value at risk computed for interacting economies in comparison with their non-interacting counterparts.

Mean-field velocity difference model considering the average effect of multi-vehicle interaction

NASA Astrophysics Data System (ADS)

Guo, Yan; Xue, Yu; Shi, Yin; Wei, Fang-ping; Lü, Liang-zhong; He, Hong-di

2018-06-01

In this paper, a mean-field velocity difference model(MFVD) is proposed to describe the average effect of multi-vehicle interactions on the whole road. By stability analysis, the stability condition of traffic system is obtained. Comparison with stability of full velocity-difference (FVD) model and the completeness of MFVD model are discussed. The mKdV equation is derived from MFVD model through nonlinear analysis to reveal the traffic jams in the form of the kink-antikink density wave. Then the numerical simulation is performed and the results illustrate that the average effect of multi-vehicle interactions plays an important role in effectively suppressing traffic jam. The increase strength of the mean-field velocity difference in MFVD model can rapidly reduce traffic jam and enhance the stability of traffic system.

SciSpark: Highly Interactive and Scalable Model Evaluation and Climate Metrics

NASA Astrophysics Data System (ADS)

Wilson, B. D.; Mattmann, C. A.; Waliser, D. E.; Kim, J.; Loikith, P.; Lee, H.; McGibbney, L. J.; Whitehall, K. D.

2014-12-01

Remote sensing data and climate model output are multi-dimensional arrays of massive sizes locked away in heterogeneous file formats (HDF5/4, NetCDF 3/4) and metadata models (HDF-EOS, CF) making it difficult to perform multi-stage, iterative science processing since each stage requires writing and reading data to and from disk. We are developing a lightning fast Big Data technology called SciSpark based on ApacheTM Spark. Spark implements the map-reduce paradigm for parallel computing on a cluster, but emphasizes in-memory computation, "spilling" to disk only as needed, and so outperforms the disk-based ApacheTM Hadoop by 100x in memory and by 10x on disk, and makes iterative algorithms feasible. SciSpark will enable scalable model evaluation by executing large-scale comparisons of A-Train satellite observations to model grids on a cluster of 100 to 1000 compute nodes. This 2nd generation capability for NASA's Regional Climate Model Evaluation System (RCMES) will compute simple climate metrics at interactive speeds, and extend to quite sophisticated iterative algorithms such as machine-learning (ML) based clustering of temperature PDFs, and even graph-based algorithms for searching for Mesocale Convective Complexes. The goals of SciSpark are to: (1) Decrease the time to compute comparison statistics and plots from minutes to seconds; (2) Allow for interactive exploration of time-series properties over seasons and years; (3) Decrease the time for satellite data ingestion into RCMES to hours; (4) Allow for Level-2 comparisons with higher-order statistics or PDF's in minutes to hours; and (5) Move RCMES into a near real time decision-making platform. We will report on: the architecture and design of SciSpark, our efforts to integrate climate science algorithms in Python and Scala, parallel ingest and partitioning (sharding) of A-Train satellite observations from HDF files and model grids from netCDF files, first parallel runs to compute comparison statistics and PDF's, and first metrics quantifying parallel speedups and memory & disk usage.

Analysis and modeling of subgrid scalar mixing using numerical data

NASA Technical Reports Server (NTRS)

Girimaji, Sharath S.; Zhou, YE

1995-01-01

Direct numerical simulations (DNS) of passive scalar mixing in isotropic turbulence is used to study, analyze and, subsequently, model the role of small (subgrid) scales in the mixing process. In particular, we attempt to model the dissipation of the large scale (supergrid) scalar fluctuations caused by the subgrid scales by decomposing it into two parts: (1) the effect due to the interaction among the subgrid scales; and (2) the effect due to interaction between the supergrid and the subgrid scales. Model comparisons with DNS data show good agreement. This model is expected to be useful in the large eddy simulations of scalar mixing and reaction.

The Use of Interactional Metadiscourse: A Comparison of Articles on Turkish Education and Literature

ERIC Educational Resources Information Center

Kan, Mustafa Onur

2016-01-01

This study aims to determine the use of interactional metadiscourse in articles from the domains of Turkish language and literature. The study employed a descriptive research model to examine 20 articles from the "Mustafa Kemal University Journal of Social Sciences Institute" (all articles were published between 2010 and 2015 and each…

A componential model of human interaction with graphs: 1. Linear regression modeling

NASA Technical Reports Server (NTRS)

Gillan, Douglas J.; Lewis, Robert

1994-01-01

Task analyses served as the basis for developing the Mixed Arithmetic-Perceptual (MA-P) model, which proposes (1) that people interacting with common graphs to answer common questions apply a set of component processes-searching for indicators, encoding the value of indicators, performing arithmetic operations on the values, making spatial comparisons among indicators, and repsonding; and (2) that the type of graph and user's task determine the combination and order of the components applied (i.e., the processing steps). Two experiments investigated the prediction that response time will be linearly related to the number of processing steps according to the MA-P model. Subjects used line graphs, scatter plots, and stacked bar graphs to answer comparison questions and questions requiring arithmetic calculations. A one-parameter version of the model (with equal weights for all components) and a two-parameter version (with different weights for arithmetic and nonarithmetic processes) accounted for 76%-85% of individual subjects' variance in response time and 61%-68% of the variance taken across all subjects. The discussion addresses possible modifications in the MA-P model, alternative models, and design implications from the MA-P model.

Contagion Shocks in One Dimension

NASA Astrophysics Data System (ADS)

Bertozzi, Andrea L.; Rosado, Jesus; Short, Martin B.; Wang, Li

2015-02-01

We consider an agent-based model of emotional contagion coupled with motion in one dimension that has recently been studied in the computer science community. The model involves movement with a speed proportional to a "fear" variable that undergoes a temporal consensus averaging based on distance to other agents. We study the effect of Riemann initial data for this problem, leading to shock dynamics that are studied both within the agent-based model as well as in a continuum limit. We examine the behavior of the model under distinguished limits as the characteristic contagion interaction distance and the interaction timescale both approach zero. The limiting behavior is related to a classical model for pressureless gas dynamics with "sticky" particles. In comparison, we observe a threshold for the interaction distance vs. interaction timescale that produce qualitatively different behavior for the system - in one case particle paths do not cross and there is a natural Eulerian limit involving nonlocal interactions and in the other case particle paths can cross and one may consider only a kinetic model in the continuum limit.

The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides.

PubMed

Engin, Ozge; Sayar, Mehmet; Erman, Burak

2009-01-13

Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations.

The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides

NASA Astrophysics Data System (ADS)

Engin, Ozge; Sayar, Mehmet; Erman, Burak

2009-03-01

Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations.

Test of interaction models up to 40 PeV by studying hadronic cores of EAS

NASA Astrophysics Data System (ADS)

KASCADE Collaboration; Apel, W. D.; Badea, A. F.; Bekk, K.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Daumiller, K.; Doll, P.; Engel, R.; Engler, J.; Gils, H. J.; Glasstetter, R.; Haungs, A.; Heck, D.; Hörandel, J. R.; Kampert, K.-H.; Klages, H. O.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Oehlschläger, J.; Ostapchenko, S.; Petcu, M.; Pierog, T.; Rebel, H.; Risse, A.; Risse, M.; Roth, M.; Schatz, G.; Schieler, H.; Ulrich, H.; van Buren, J.; Weindl, A.; Wochele, J.; Zabierowski, J.

2007-12-01

The interpretation of extensive air shower measurements often requires a comparison with shower simulations in the atmosphere. These calculations rely on hadronic interaction models which have to extrapolate into kinematical and energy regions not explored by present-day collider experiments. The KASCADE experiment with its large hadron calorimeter and the detector array for the electromagnetic and muonic components provides experimental data to check such interaction models. For the simulations the program CORSIKA is used, which has several hadronic event generators embedded. For high-energy interactions (E_{\\rm{lab}}\\gtrsim100 \\ {\\rm{GeV}}) the models DPMJET, \\{\\sc NEX{\\sc US}} , QGSJET and SIBYLL have been used. Low-energy interactions have been treated by GHEISHA and FLUKA. Different hadronic observables are investigated as well as their correlations with the electromagnetic and muonic shower components up to primary energies of about 40 PeV. Although the predictions of the more recent models are to a large extent compatible with the measured data within the range given by proton and iron primary particles, there are still significant differences between the individual models.

A comparison with theory of peak to peak sound level for a model helicopter rotor generating blade slap at low tip speeds

NASA Technical Reports Server (NTRS)

Fontana, R. R.; Hubbard, J. E., Jr.

1983-01-01

Mini-tuft and smoke flow visualization techniques have been developed for the investigation of model helicopter rotor blade vortex interaction noise at low tip speeds. These techniques allow the parameters required for calculation of the blade vortex interaction noise using the Widnall/Wolf model to be determined. The measured acoustics are compared with the predicted acoustics for each test condition. Under the conditions tested it is determined that the dominating acoustic pulse results from the interaction of the blade with a vortex 1-1/4 revolutions old at an interaction angle of less than 8 deg. The Widnall/Wolf model predicts the peak sound pressure level within 3 dB for blade vortex separation distances greater than 1 semichord, but it generally over predicts the peak S.P.L. by over 10 dB for blade vortex separation distances of less than 1/4 semichord.

New generation of exploration tools: interactive modeling software and microcomputers

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

Krajewski, S.A.

1986-08-01

Software packages offering interactive modeling techniques are now available for use on microcomputer hardware systems. These packages are reasonably priced for both company and independent explorationists; they do not require users to have high levels of computer literacy; they are capable of rapidly completing complex ranges of sophisticated geologic and geophysical modeling tasks; and they can produce presentation-quality output for comparison with real-world data. For example, interactive packages are available for mapping, log analysis, seismic modeling, reservoir studies, and financial projects as well as for applying a variety of statistical and geostatistical techniques to analysis of exploration data. More importantly,more » these packages enable explorationists to directly apply their geologic expertise when developing and fine-tuning models for identifying new prospects and for extending producing fields. As a result of these features, microcomputers and interactive modeling software are becoming common tools in many exploration offices. Gravity and magnetics software programs illustrate some of the capabilities of such exploration tools.« less

Diffusion-controlled reactions: hydrodynamic interaction between charged, uniformly reactive spherical reactants.

PubMed

Allison, Stuart

2006-12-28

In this work, different models of hydrodynamic interaction (HI) are examined in the diffusion-controlled reaction between uniformly reactive charged spherical particles. In addition to Oseen "stick" and "slip" models of HI, one is considered that accounts for the disturbance of fluid flow by the ions around one reactive partner as they interact with a neighboring reactive species. This interaction is closely related to the "electrophoretic effect" in electrokinetics and can be described by a fairly simple electrophoretic, or E-tensor. These models are applied to the electron-transfer quenching reaction of Ru(bpy)3(2+) and methyl viologen (MV2+) over a wide range of NaCl concentrations (Chiorboli, C. et al., J. Phys. Chem. 1988, 92, 156). The back reaction is also considered. From a comparison of the salt dependence of the model and experimental rates, it is concluded that the "E-tensor" model works best and ignoring HI altogether works worst. The Oseen "stick" and "slip" models fall between these.

Tangled nature: a model of evolutionary ecology.

PubMed

Christensen, Kim; di Collobiano, Simone A; Hall, Matt; Jensen, Henrik J

2002-05-07

We discuss a simple model of co-evolution. In order to emphasize the effect of interaction between individuals, the entire population is subjected to the same physical environment. Species are emergent structures and extinction, origination and diversity are entirely a consequence of co-evolutionary interaction between individuals. For comparison, we consider both asexual and sexually reproducing populations. In either case, the system evolves through periods of hectic reorganization separated by periods of coherent stable coexistence. Copyright 2002 Elsevier Science Ltd. All rights reserved.

Prediction of the structure of fuel sprays in gas turbine combustors

NASA Technical Reports Server (NTRS)

Shuen, J. S.

1985-01-01

The structure of fuel sprays in a combustion chamber is theoretically investigated using computer models of current interest. Three representative spray models are considered: (1) a locally homogeneous flow (LHF) model, which assumes infinitely fast interphase transport rates; (2) a deterministic separated flow (DSF) model, which considers finite rates of interphase transport but ignores effects of droplet/turbulence interactions; and (3) a stochastic separated flow (SSF) model, which considers droplet/turbulence interactions using random sampling for turbulence properties in conjunction with random-walk computations for droplet motion and transport. Two flow conditions are studied to investigate the influence of swirl on droplet life histories and the effects of droplet/turbulence interactions on flow properties. Comparison of computed results with the experimental data show that general features of the flow structure can be predicted with reasonable accuracy using the two separated flow models. In contrast, the LHF model overpredicts the rate of development of the flow. While the SSF model provides better agreement with measurements than the DSF model, definitive evaluation of the significance of droplet/turbulence interaction is not achieved due to uncertainties in the spray initial conditions.

Multi-criteria comparative evaluation of spallation reaction models

NASA Astrophysics Data System (ADS)

Andrianov, Andrey; Andrianova, Olga; Konobeev, Alexandr; Korovin, Yury; Kuptsov, Ilya

2017-09-01

This paper presents an approach to a comparative evaluation of the predictive ability of spallation reaction models based on widely used, well-proven multiple-criteria decision analysis methods (MAVT/MAUT, AHP, TOPSIS, PROMETHEE) and the results of such a comparison for 17 spallation reaction models in the presence of the interaction of high-energy protons with natPb.

Subjective Memory in a National Sample: Predicting Psychological Well-Being.

PubMed

Mogle, Jacqueline A; Hill, Nikki; McDermott, Caroline

2017-01-01

Individual perception of memory performance (i.e., subjective memory) is assessed using a variety of approaches. This article focuses on 2 such approaches: (1) self-comparison assessments that attempt to capture changes in memory ability over a period of time and (2) age-anchored comparisons that assess how an individual perceives their memory in relation to others their age. These different types of assessment may relate to psychological well-being differently due to the underlying mechanisms of assessment. The purpose of these analyses is to examine 2 measures of subjective memory (i.e., a self-comparison measure and an age-anchored comparison measure) as predictors of psychological well-being among adults in mid- and late life. Participants (n = 3,434) in the Midlife in the United States Study completed measures of subjective memory, depressive affect, and life satisfaction. Structural equation modeling was used to examine whether the self-comparison and age-anchored comparison measures had differential predictive utility regarding psychological well-being. Higher age-anchored comparison ratings were related to higher life satisfaction scores. There was a significant interaction between the 2 items such that individuals with lower ratings on both subjective memory measures had the poorest outcomes. Additionally, age-anchored comparisons interacted with age: older adults had the poorest outcomes when they reported poorer age-anchored comparisons. These findings highlight the importance of precise measurement in the consideration of subjective memory. How an individual was asked to rate his or her perception of memory influenced the relationships between subjective memory and psychological well-being. This study contributes valuable insight into the importance of the assessment models of subjective memory. © 2017 S. Karger AG, Basel.

Subjective Memory in a National Sample: Predicting Psychological Well-Being

PubMed Central

Hill, Nikki; McDermott, Caroline

2017-01-01

Background Individual perception of memory performance (i.e., subjective memory) is assessed using a variety of approaches. This article focuses on two such approaches: self-comparison assessments that attempt to capture changes in memory ability over a period of time, and age-anchored comparisons that assess how an individual perceives their memory in relation to others their age. These different types of assessment may relate to psychological well-being differently due to the underlying mechanisms of assessment. Objective The purpose of these analyses is to examine two measures of subjective memory (i.e., a self-comparison measure and an age-anchored comparison measure) as predictors of psychological well-being among adults in mid- and late life. Methods Participants (n=3,434) in the Midlife in the United States Study completed measures of subjective memory, depressive affect, and life satisfaction. Structural equation modeling was used to examine whether self-comparison and age-anchored comparison measures had differential predictive utility of on psychological well-being. Results Higher age-anchored comparison ratings were related to higher life satisfaction scores. There was a significant interaction between the two items such that individuals with lower ratings on both subjective memory measures had the poorest outcomes. Additionally, age-anchored comparisons interacted with age: older adults had the poorest outcomes when they reported poorer age-anchored comparisons. Conclusion These findings highlight the importance of precise measurement in the consideration of subjective memory. How an individual was asked to rate his or her perception of memory influenced the relationships between subjective memory and psychological well-being. This study contributes valuable insight into the importance of the assessment models of subjective memory. PMID:28441647

Design of a 3D Navigation Technique Supporting VR Interaction

NASA Astrophysics Data System (ADS)

Boudoin, Pierre; Otmane, Samir; Mallem, Malik

2008-06-01

Multimodality is a powerful paradigm to increase the realness and the easiness of the interaction in Virtual Environments (VEs). In particular, the search for new metaphors and techniques for 3D interaction adapted to the navigation task is an important stage for the realization of future 3D interaction systems that support multimodality, in order to increase efficiency and usability. In this paper we propose a new multimodal 3D interaction model called Fly Over. This model is especially devoted to the navigation task. We present a qualitative comparison between Fly Over and a classical navigation technique called gaze-directed steering. The results from preliminary evaluation on the IBISC semi-immersive Virtual Reality/Augmented Realty EVR@ platform show that Fly Over is a user friendly and efficient navigation technique.

The ‘hit’ phenomenon: a mathematical model of human dynamics interactions as a stochastic process

NASA Astrophysics Data System (ADS)

Ishii, Akira; Arakaki, Hisashi; Matsuda, Naoya; Umemura, Sanae; Urushidani, Tamiko; Yamagata, Naoya; Yoshida, Narihiko

2012-06-01

A mathematical model for the ‘hit’ phenomenon in entertainment within a society is presented as a stochastic process of human dynamics interactions. The model uses only the advertisement budget time distribution as an input, and word-of-mouth (WOM), represented by posts on social network systems, is used as data to make a comparison with the calculated results. The unit of time is days. The WOM distribution in time is found to be very close to the revenue distribution in time. Calculations for the Japanese motion picture market based on the mathematical model agree well with the actual revenue distribution in time.

Computational structure analysis of biomacromolecule complexes by interface geometry.

PubMed

Mahdavi, Sedigheh; Salehzadeh-Yazdi, Ali; Mohades, Ali; Masoudi-Nejad, Ali

2013-12-01

The ability to analyze and compare protein-nucleic acid and protein-protein interaction interface has critical importance in understanding the biological function and essential processes occurring in the cells. Since high-resolution three-dimensional (3D) structures of biomacromolecule complexes are available, computational characterizing of the interface geometry become an important research topic in the field of molecular biology. In this study, the interfaces of a set of 180 protein-nucleic acid and protein-protein complexes are computed to understand the principles of their interactions. The weighted Voronoi diagram of the atoms and the Alpha complex has provided an accurate description of the interface atoms. Our method is implemented in the presence and absence of water molecules. A comparison among the three types of interaction interfaces show that RNA-protein complexes have the largest size of an interface. The results show a high correlation coefficient between our method and the PISA server in the presence and absence of water molecules in the Voronoi model and the traditional model based on solvent accessibility and the high validation parameters in comparison to the classical model. Copyright © 2013 Elsevier Ltd. All rights reserved.

Evaluation of Aerosol-cloud Interaction in the GISS Model E Using ARM Observations

NASA Technical Reports Server (NTRS)

DeBoer, G.; Bauer, S. E.; Toto, T.; Menon, Surabi; Vogelmann, A. M.

2013-01-01

Observations from the US Department of Energy's Atmospheric Radiation Measurement (ARM) program are used to evaluate the ability of the NASA GISS ModelE global climate model in reproducing observed interactions between aerosols and clouds. Included in the evaluation are comparisons of basic meteorology and aerosol properties, droplet activation, effective radius parameterizations, and surface-based evaluations of aerosol-cloud interactions (ACI). Differences between the simulated and observed ACI are generally large, but these differences may result partially from vertical distribution of aerosol in the model, rather than the representation of physical processes governing the interactions between aerosols and clouds. Compared to the current observations, the ModelE often features elevated droplet concentrations for a given aerosol concentration, indicating that the activation parameterizations used may be too aggressive. Additionally, parameterizations for effective radius commonly used in models were tested using ARM observations, and there was no clear superior parameterization for the cases reviewed here. This lack of consensus is demonstrated to result in potentially large, statistically significant differences to surface radiative budgets, should one parameterization be chosen over another.

Fluid-structure interaction with the entropic lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

2018-02-01

We propose a fluid-structure interaction (FSI) scheme using the entropic multi-relaxation time lattice Boltzmann (KBC) model for the fluid domain in combination with a nonlinear finite element solver for the structural part. We show the validity of the proposed scheme for various challenging setups by comparison to literature data. Beyond validation, we extend the KBC model to multiphase flows and couple it with a finite element method (FEM) solver. Robustness and viability of the entropic multi-relaxation time model for complex FSI applications is shown by simulations of droplet impact on elastic superhydrophobic surfaces.

DART model for irradiation-induced swelling of dispersion fuel elements including aluminum-fuel interaction

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

Rest, J.; Hofman, G.L.

1997-12-01

The Dispersion Analysis Research Tool (DART) contains models for fission-gas-induced fuel swelling, interaction of fuel with the matrix aluminum, for the resultant reaction-product swelling, and for the calculation of the stress gradient within the fuel particle. The effects of an aluminide shell on fuel particle swelling are evaluated. Validation of the model is demonstrated by a comparison of DART calculations of fuel swelling of U{sub 3}SiAl-Al and U{sub 3}Si{sub 2}-Al for various dispersion fuel element designs with the data.

HZEFRG1: An energy-dependent semiempirical nuclear fragmentation model

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Tripathi, Ram K.; Norbury, John W.; Badavi, Francis F.; Khan, Ferdous

1993-01-01

Methods for calculating cross sections for the breakup of high-energy heavy ions by the combined nuclear and coulomb fields of the interacting nuclei are presented. The nuclear breakup contributions are estimated with an abrasion-ablation model of heavy ion fragmentation that includes an energy-dependent, mean free path. The electromagnetic dissociation contributions arising from the interacting coulomb fields are estimated by using Weizsacker-Williams theory extended to include electric dipole and electric quadrupole contributions. The complete computer code that implements the model is included as an appendix. Extensive comparisons of cross section predictions with available experimental data are made.

Human Development Theories: A Comparison of Classic Human Development Theorists and the Implications for a Model of Developmental Social Interaction.

ERIC Educational Resources Information Center

Ollhoff, Jim

This paper explores several theories of human development, with particular attention to the development of social interaction. Part 1 compares and contrasts major developmental theories, including those of Freud, Erikson, Piaget, Kohlberg, Kegan, Fowler, and Selman. From birth to 1 year, infants are laying the foundation that will guide their…

Predicting loop–helix tertiary structural contacts in RNA pseudoknots

PubMed Central

Cao, Song; Giedroc, David P.; Chen, Shi-Jie

2010-01-01

Tertiary interactions between loops and helical stems play critical roles in the biological function of many RNA pseudoknots. However, quantitative predictions for RNA tertiary interactions remain elusive. Here we report a statistical mechanical model for the prediction of noncanonical loop–stem base-pairing interactions in RNA pseudoknots. Central to the model is the evaluation of the conformational entropy for the pseudoknotted folds with defined loop–stem tertiary structural contacts. We develop an RNA virtual bond-based conformational model (Vfold model), which permits a rigorous computation of the conformational entropy for a given fold that contains loop–stem tertiary contacts. With the entropy parameters predicted from the Vfold model and the energy parameters for the tertiary contacts as inserted parameters, we can then predict the RNA folding thermodynamics, from which we can extract the tertiary contact thermodynamic parameters from theory–experimental comparisons. These comparisons reveal a contact enthalpy (ΔH) of −14 kcal/mol and a contact entropy (ΔS) of −38 cal/mol/K for a protonated C+•(G–C) base triple at pH 7.0, and (ΔH = −7 kcal/mol, ΔS = −19 cal/mol/K) for an unprotonated base triple. Tests of the model for a series of pseudoknots show good theory–experiment agreement. Based on the extracted energy parameters for the tertiary structural contacts, the model enables predictions for the structure, stability, and folding pathways for RNA pseudoknots with known or postulated loop–stem tertiary contacts from the nucleotide sequence alone. PMID:20100813

DSMC Simulation and Experimental Validation of Shock Interaction in Hypersonic Low Density Flow

PubMed Central

2014-01-01

Direct simulation Monte Carlo (DSMC) of shock interaction in hypersonic low density flow is developed. Three collision molecular models, including hard sphere (HS), variable hard sphere (VHS), and variable soft sphere (VSS), are employed in the DSMC study. The simulations of double-cone and Edney's type IV hypersonic shock interactions in low density flow are performed. Comparisons between DSMC and experimental data are conducted. Investigation of the double-cone hypersonic flow shows that three collision molecular models can predict the trend of pressure coefficient and the Stanton number. HS model shows the best agreement between DSMC simulation and experiment among three collision molecular models. Also, it shows that the agreement between DSMC and experiment is generally good for HS and VHS models in Edney's type IV shock interaction. However, it fails in the VSS model. Both double-cone and Edney's type IV shock interaction simulations show that the DSMC errors depend on the Knudsen number and the models employed for intermolecular interaction. With the increase in the Knudsen number, the DSMC error is decreased. The error is the smallest in HS compared with those in the VHS and VSS models. When the Knudsen number is in the level of 10−4, the DSMC errors, for pressure coefficient, the Stanton number, and the scale of interaction region, are controlled within 10%. PMID:24672360

Delineating pMDI model reactions with loblolly pine via solution-state NMR spectroscopy. Part 1, Catalyzed reactions with wood models and wood polymers

Treesearch

Daniel J. Yelle; John Ralph; Charles R. Frihart

2011-01-01

To better understand adhesive interactions with wood, reactions between model compounds of wood and a model compound of polymeric methylene diphenyl diisocyanate (pMDI) were characterized by solution-state NMR spectroscopy. For comparison, finely ground loblolly pine sapwood, milled-wood lignin and holocellulose from the same wood were isolated and derivatized with...

Comparison of Global Martian Plasma Models in the Context of MAVEN Observations

NASA Astrophysics Data System (ADS)

Egan, Hilary; Ma, Yingjuan; Dong, Chuanfei; Modolo, Ronan; Jarvinen, Riku; Bougher, Stephen; Halekas, Jasper; Brain, David; Mcfadden, James; Connerney, John; Mitchell, David; Jakosky, Bruce

2018-05-01

Global models of the interaction of the solar wind with the Martian upper atmosphere have proved to be valuable tools for investigating both the escape to space of the Martian atmosphere and the physical processes controlling this complex interaction. The many models currently in use employ different physical assumptions, but it can be difficult to directly compare the effectiveness of the models since they are rarely run for the same input conditions. Here we present the results of a model comparison activity, where five global models (single-fluid MHD, multifluid MHD, multifluid electron pressure MHD, and two hybrid models) were run for identical conditions corresponding to a single orbit of observations from the Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft. We find that low-altitude ion densities are very similar across all models and are comparable to MAVEN ion density measurements from periapsis. Plasma boundaries appear generally symmetric in all models and vary only slightly in extent. Despite these similarities there are clear morphological differences in ion behavior in other regions such as the tail and southern hemisphere. These differences are observable in ion escape loss maps and are necessary to understand in order to accurately use models in aiding our understanding of the Martian plasma environment.

Introducing a novel interaction model structure for the combined effect of temperature and pH on the microbial growth rate.

PubMed

Akkermans, Simen; Noriega Fernandez, Estefanía; Logist, Filip; Van Impe, Jan F

2017-01-02

Efficient modelling of the microbial growth rate can be performed by combining the effects of individual conditions in a multiplicative way, known as the gamma concept. However, several studies have illustrated that interactions between different effects should be taken into account at stressing environmental conditions to achieve a more accurate description of the growth rate. In this research, a novel approach for modeling the interactions between the effects of environmental conditions on the microbial growth rate is introduced. As a case study, the effect of temperature and pH on the growth rate of Escherichia coli K12 is modeled, based on a set of computer controlled bioreactor experiments performed under static environmental conditions. The models compared in this case study are the gamma model, the model of Augustin and Carlier (2000), the model of Le Marc et al. (2002) and the novel multiplicative interaction model, developed in this paper. This novel model enables the separate identification of interactions between the effects of two (or more) environmental conditions. The comparison of these models focuses on the accuracy, interpretability and compatibility with efficient modeling approaches. Moreover, for the separate effects of temperature and pH, new cardinal parameter model structures are proposed. The novel interaction model contributes to a generic modeling approach, resulting in predictive models that are (i) accurate, (ii) easily identifiable with a limited work load, (iii) modular, and (iv) biologically interpretable. Copyright © 2016. Published by Elsevier B.V.

Comparison of modeled backscatter with SAR data at P-band

NASA Technical Reports Server (NTRS)

Wang, Yong; Davis, Frank W.; Melack, John M.

1992-01-01

In recent years several analytical models were developed to predict microwave scattering by trees and forest canopies. These models contribute to the understanding of radar backscatter over forested regions to the extent that they capture the basic interactions between microwave radiation and tree canopies, understories, and ground layers as functions of incidence angle, wavelength, and polarization. The Santa Barbara microwave model backscatter model for woodland (i.e. with discontinuous tree canopies) combines a single-tree backscatter model and a gap probability model. Comparison of model predictions with synthetic aperture radar (SAR) data and L-band (lambda = 0.235 m) is promising, but much work is still needed to test the validity of model predictions at other wavelengths. The validity of the model predictions at P-band (lambda = 0.68 m) for woodland stands at our Mt. Shasta test site was tested.

Model-Observation Comparisons of Biomass Burning Smoke and Clouds Over the Southeast Atlantic Ocean

NASA Astrophysics Data System (ADS)

Doherty, S. J.; Saide, P.; Zuidema, P.; Shinozuka, Y.; daSilva, A.; McFarquhar, G. M.; Pfister, L.; Carmichael, G. R.; Ferrada, G. A.; Howell, S. G.; Freitag, S.; Dobracki, A. N.; Smirnow, N.; Longo, K.; LeBlanc, S. E.; Adebiyi, A. A.; Podolske, J. R.; Small Griswold, J. D.; Hekkila, A.; Ueyama, R.; Wood, R.; Redemann, J.

2017-12-01

From August through October, in the SE Atlantic a plume of biomass burning smoke from central Africa overlays a relatively persistent stratocumulus-to-cumulus cloud deck. These smoke aerosols are believed to have significant climate forcing via aerosol-radiation and aerosol-cloud interactions, though both the magnitude and sign of this forcing is highly uncertain. This is due to large model spread in simulated aerosol and cloud properties and, until now, a sparsity of observations to constrain the models. Here we will present a comparison of both aerosol and cloud properties over the region using data from the first deployment of the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) field experiment (August-September 2016). We examine both horizontal and geographic variations in a range of aerosol and cloud properties and their position relative to each other, since the degree to which aerosols and clouds coincide both horizontally and vertically is perhaps the greatest source of uncertainty in their climate forcing.

Comparison of Control Approaches in Genetic Regulatory Networks by Using Stochastic Master Equation Models, Probabilistic Boolean Network Models and Differential Equation Models and Estimated Error Analyzes

NASA Astrophysics Data System (ADS)

Caglar, Mehmet Umut; Pal, Ranadip

2011-03-01

Central dogma of molecular biology states that ``information cannot be transferred back from protein to either protein or nucleic acid''. However, this assumption is not exactly correct in most of the cases. There are a lot of feedback loops and interactions between different levels of systems. These types of interactions are hard to analyze due to the lack of cell level data and probabilistic - nonlinear nature of interactions. Several models widely used to analyze and simulate these types of nonlinear interactions. Stochastic Master Equation (SME) models give probabilistic nature of the interactions in a detailed manner, with a high calculation cost. On the other hand Probabilistic Boolean Network (PBN) models give a coarse scale picture of the stochastic processes, with a less calculation cost. Differential Equation (DE) models give the time evolution of mean values of processes in a highly cost effective way. The understanding of the relations between the predictions of these models is important to understand the reliability of the simulations of genetic regulatory networks. In this work the success of the mapping between SME, PBN and DE models is analyzed and the accuracy and affectivity of the control policies generated by using PBN and DE models is compared.

A Generalized Form of Context-Dependent Psychophysiological Interactions (gPPI): A Comparison to Standard Approaches

PubMed Central

McLaren, Donald G.; Ries, Michele L.; Xu, Guofan; Johnson, Sterling C.

2012-01-01

Functional MRI (fMRI) allows one to study task-related regional responses and task-dependent connectivity analysis using psychophysiological interaction (PPI) methods. The latter affords the additional opportunity to understand how brain regions interact in a task-dependent manner. The current implementation of PPI in Statistical Parametric Mapping (SPM8) is configured primarily to assess connectivity differences between two task conditions, when in practice fMRI tasks frequently employ more than two conditions. Here we evaluate how a generalized form of context-dependent PPI (gPPI; http://www.nitrc.org/projects/gppi), which is configured to automatically accommodate more than two task conditions in the same PPI model by spanning the entire experimental space, compares to the standard implementation in SPM8. These comparisons are made using both simulations and an empirical dataset. In the simulated dataset, we compare the interaction beta estimates to their expected values and model fit using the Akaike Information Criterion (AIC). We found that interaction beta estimates in gPPI were robust to different simulated data models, were not different from the expected beta value, and had better model fits than when using standard PPI (sPPI) methods. In the empirical dataset, we compare the model fit of the gPPI approach to sPPI. We found that the gPPI approach improved model fit compared to sPPI. There were several regions that became non-significant with gPPI. These regions all showed significantly better model fits with gPPI. Also, there were several regions where task-dependent connectivity was only detected using gPPI methods, also with improved model fit. Regions that were detected with all methods had more similar model fits. These results suggest that gPPI may have greater sensitivity and specificity than standard implementation in SPM. This notion is tempered slightly as there is no gold standard; however, data simulations with a known outcome support our conclusions about gPPI. In sum, the generalized form of context-dependent PPI approach has increased flexibility of statistical modeling, and potentially improves model fit, specificity to true negative findings, and sensitivity to true positive findings. PMID:22484411

Investigation of antigen-antibody interactions of sulfonamides with a monoclonal antibody in a fluorescence polarization immunoassay using 3D-QSAR models

USDA-ARS?s Scientific Manuscript database

A three-dimensional quantitative structure-activity relationship (3D-QSAR) model of sulfonamide analogs binding a monoclonal antibody (MAbSMR) produced against sulfamerazine was carried out by Distance Comparison (DISCOtech), comparative molecular field analysis (CoMFA), and comparative molecular si...

EDUCATIONAL ORIENTATIONS AND PARENTAL ENCOURAGEMENT--AN INTERVENING OR AN INDEPENDENT VARIABLE.

ERIC Educational Resources Information Center

REHBERG, RICHARD A.; AND OTHERS

TWO MODELS OF THE INTERACTION OF PARENTAL ENCOURAGEMENT AND EDUCATIONAL EXPECTATIONS WERE EVALUATED IN COMPARISON WITH DATA GATHERED FROM A SURVEY. PARENTAL ENCOURAGEMENT WAS DEFINED AS AN OVERT ATTEMPT BY PARENTS TO INFLUENCE THEIR SON TO GO TO COLLEGE. ONE MODEL REPRESENTED PARENTAL ENCOURAGEMENT AS AN INTERVENING VARIABLE BETWEEN EDUCATIONAL…

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory.

PubMed

Jain, Shekhar; Ginzburg, Valeriy V; Jog, Prasanna; Weinhold, Jeffrey; Srivastava, Rakesh; Chapman, Walter G

2009-07-28

The interaction between two polymer grafted surfaces is important in many applications, such as nanocomposites, colloid stabilization, and polymer alloys. In our previous work [Jain et al., J. Chem. Phys. 128, 154910 (2008)], we showed that interfacial statistical associating fluid density theory (iSAFT) successfully calculates the structure of grafted polymer chains in the absence/presence of a free polymer. In the current work, we have applied this density functional theory to calculate the force of interaction between two such grafted monolayers in implicit good solvent conditions. In particular, we have considered the case where the segment sizes of the free (sigma(f)) and grafted (sigma(g)) polymers are different. The interactions between the two monolayers in the absence of the free polymer are always repulsive. However, in the presence of the free polymer, the force either can be purely repulsive or can have an attractive minimum depending upon the relative chain lengths of the free (N(f)) and grafted polymers (N(g)). The attractive minimum is observed only when the ratio alpha = N(f)/N(g) is greater than a critical value. We find that these critical values of alpha satisfy the following scaling relation: rho(g) square root(N(g)) beta(3) proportional to alpha(-lambda), where beta = sigma(f)/sigma(g) and lambda is the scaling exponent. For beta = 1 or the same segment sizes of the free and grafted polymers, this scaling relation is in agreement with those from previous theoretical studies using self-consistent field theory (SCFT). Detailed comparisons between iSAFT and SCFT are made for the structures of the monolayers and their forces of interaction. These comparisons lead to interesting implications for the modeling of nanocomposite thermodynamics.

Implementation of a Brown Carbon Parameterization in the Community Earth System Model (CESM): Model Validation, Estimation of Brown Carbon Radiative Effect, and Climate Impact

NASA Astrophysics Data System (ADS)

Brown, Hunter Y.

A recent development in the representation of aerosols in climate models is the realization that some components of organic carbon (OC), emitted from biomass and biofuel burning, can have a significant contribution to short-wave radiation absorption in the atmosphere. The absorbing fraction of OC is referred to as brown carbon (BrC). This study introduces one of the first implementations of BrC into the Community Earth System Model (CESM), using a parameterization for BrC absorption described in Saleh et al. (2014). 9-year experiments are run (2003-2011) with prescribed emissions and sea surface temperatures to analyze the effect of BrC in the atmosphere. Model validation is conducted via model comparison to single-scatter albedo (SSA) and aerosol optical depth from the Aerosol Robotic Network (AERONET), as well as comparison with a laboratory derived parameterization for SSA dependent on the (black carbon (BC))/(BC+OC) ratio in biomass burning emissions. These comparisons reveal a model underestimation of SSA in biomass burning regions for both default and BrC model runs. Global annual average radiative effects are calculated due to aerosol-radiation interactions (REari; 0.13+/-0.021 W m -2), aerosol-cloud interactions (REaci; 0.07+/-0.056 W m -2), and surface albedo change (REsac; -0.06+/-0.035 W m -2). REari is similar to other studies' estimations of BrC direct radiative effect, while REaci indicates a global reduction in low clouds due to the BrC semi-direct effect. REsac suggests increased surface albedo with BrC implementation due to modified snowfall, but does not take into account the warming effect of BrC on snow. Lastly, comparisons of BrC implementation approaches find that this implementation may do a better job of estimating BrC radiative effect in the Arctic regions than previous studies with CESM.

A thermodynamic counterpart of the Axelrod model of social influence: The one-dimensional case

NASA Astrophysics Data System (ADS)

Gandica, Y.; Medina, E.; Bonalde, I.

2013-12-01

We propose a thermodynamic version of the Axelrod model of social influence. In one-dimensional (1D) lattices, the thermodynamic model becomes a coupled Potts model with a bonding interaction that increases with the site matching traits. We analytically calculate thermodynamic and critical properties for a 1D system and show that an order-disorder phase transition only occurs at T=0 independent of the number of cultural traits q and features F. The 1D thermodynamic Axelrod model belongs to the same universality class of the Ising and Potts models, notwithstanding the increase of the internal dimension of the local degree of freedom and the state-dependent bonding interaction. We suggest a unifying proposal to compare exponents across different discrete 1D models. The comparison with our Hamiltonian description reveals that in the thermodynamic limit the original out-of-equilibrium 1D Axelrod model with noise behaves like an ordinary thermodynamic 1D interacting particle system.

On Parametric Sensitivity of Reynolds-Averaged Navier-Stokes SST Turbulence Model: 2D Hypersonic Shock-Wave Boundary Layer Interactions

NASA Technical Reports Server (NTRS)

Brown, James L.

2014-01-01

Examined is sensitivity of separation extent, wall pressure and heating to variation of primary input flow parameters, such as Mach and Reynolds numbers and shock strength, for 2D and Axisymmetric Hypersonic Shock Wave Turbulent Boundary Layer interactions obtained by Navier-Stokes methods using the SST turbulence model. Baseline parametric sensitivity response is provided in part by comparison with vetted experiments, and in part through updated correlations based on free interaction theory concepts. A recent database compilation of hypersonic 2D shock-wave/turbulent boundary layer experiments extensively used in a prior related uncertainty analysis provides the foundation for this updated correlation approach, as well as for more conventional validation. The primary CFD method for this work is DPLR, one of NASA's real-gas aerothermodynamic production RANS codes. Comparisons are also made with CFL3D, one of NASA's mature perfect-gas RANS codes. Deficiencies in predicted separation response of RANS/SST solutions to parametric variations of test conditions are summarized, along with recommendations as to future turbulence approach.

Hadronic Interaction Models and the Air Shower Simulation Program CORSIKA

NASA Astrophysics Data System (ADS)

Heck, D.; KASCADE Collaboration

The Monte Carlo program CORSIKA simulates the 4-dimensional evolution of extensive air showers in the atmosphere initiated by photons, hadrons or nuclei. It contains links to the hadronic interaction models DPMJET, HDPM, NEXUS, QGSJET, SIBYLL, and VENUS. These codes are employed to treat the hadronic interactions at energies above 80 GeV. Since their first implementation in 1996 the models DPMJET and SIBYLL have been revised to versions II.5 and 2.1, respectively. Also the treatment of diffractive interactions by QGSJET has been slightly modified. The models DPMJET, QGSJET and SIBYLL are able to simulate collisions even at the highest energies reaching up to 1020 eV, which are at the focus of present research. The recently added NEXUS 2 program uses a unified approach combining Gribov-Regge theory and perturbative QCD. This model is based on the universality hypothesis of the behavior of highenergy interactions and presently works up to 1017 eV. A comparison of simulations performed with different models gives an indication on the systematic uncertainties of simulated air shower properties, which arise from the extrapolations to energies, kinematic ranges, or projectile-target combinations not covered by man-made colliders. Results obtained with the most actual programs are presented.

Continuum Model of Gas Uptake for Inhomogeneous Fluids

DOE PAGES

Ihm, Yungok; Cooper, Valentino R.; Vlcek, Lukas; ...

2017-07-20

We describe a continuum model of gas uptake for inhomogeneous fluids (CMGIF) and use it to predict fluid adsorption in porous materials directly from gas-substrate interaction energies determined by first principles calculations or accurate effective force fields. The method uses a perturbation approach to correct bulk fluid interactions for local inhomogeneities caused by gas substrate interactions, and predicts local pressure and density of the adsorbed gas. The accuracy and limitations of the model are tested by comparison with the results of Grand Canonical Monte Carlo simulations of hydrogen uptake in metal-organic frameworks (MOFs). We show that the approach provides accuratemore » predictions at room temperature and at low temperatures for less strongly interacting materials. As a result, the speed of the CMGIF method makes it a promising candidate for high-throughput materials discovery in connection with existing databases of nano-porous materials.« less

Models of S/π interactions in protein structures: Comparison of the H2S–benzene complex with PDB data

PubMed Central

Ringer, Ashley L.; Senenko, Anastasia; Sherrill, C. David

2007-01-01

S/π interactions are prevalent in biochemistry and play an important role in protein folding and stabilization. Geometries of cysteine/aromatic interactions found in crystal structures from the Brookhaven Protein Data Bank (PDB) are analyzed and compared with the equilibrium configurations predicted by high-level quantum mechanical results for the H2S–benzene complex. A correlation is observed between the energetically favorable configurations on the quantum mechanical potential energy surface of the H2S–benzene model and the cysteine/aromatic configurations most frequently found in crystal structures of the PDB. In contrast to some previous PDB analyses, configurations with the sulfur over the aromatic ring are found to be the most important. Our results suggest that accurate quantum computations on models of noncovalent interactions may be helpful in understanding the structures of proteins and other complex systems. PMID:17766371

Transonic Axial Splittered Rotor Tandem Stator Stage

DTIC Science & Technology

2016-12-01

CODE 13. ABSTRACT (maximum 200 words) Development of a procedure to model the hot shape of a rotor blade and a comparison analysis of the transonic...fluid-structure interaction. Rotational forces as well as gas loading forces were observed as an influence on blade deformation. Utilizing the...Turbomachinery, splittered rotor, tandem stator, transonic compressor, blade deformation, fluid-structure interaction 15. NUMBER OF PAGES 87 16. PRICE

Light fragments from (C + Be) interactions at 0.6 GeV/nucleon

DOE PAGES

Abramov, B. M.; Alekseev, P. N.; Borodin, Yu. A.; ...

2016-05-01

We measured nuclear fragments emitted at 3.5° in 12C fragmentation at 0.6 GeV/nucleon. We also used the spectra obtained to test the predictions of four ion-ion interaction models: INCL++, BC, LAQGSM03.03 and QMD as well as for the comparison with the analytical parametrization in the framework of thermodynamical picture of fragmentation.

Augmenting Microarray Data with Literature-Based Knowledge to Enhance Gene Regulatory Network Inference

PubMed Central

Kilicoglu, Halil; Shin, Dongwook; Rindflesch, Thomas C.

2014-01-01

Gene regulatory networks are a crucial aspect of systems biology in describing molecular mechanisms of the cell. Various computational models rely on random gene selection to infer such networks from microarray data. While incorporation of prior knowledge into data analysis has been deemed important, in practice, it has generally been limited to referencing genes in probe sets and using curated knowledge bases. We investigate the impact of augmenting microarray data with semantic relations automatically extracted from the literature, with the view that relations encoding gene/protein interactions eliminate the need for random selection of components in non-exhaustive approaches, producing a more accurate model of cellular behavior. A genetic algorithm is then used to optimize the strength of interactions using microarray data and an artificial neural network fitness function. The result is a directed and weighted network providing the individual contribution of each gene to its target. For testing, we used invasive ductile carcinoma of the breast to query the literature and a microarray set containing gene expression changes in these cells over several time points. Our model demonstrates significantly better fitness than the state-of-the-art model, which relies on an initial random selection of genes. Comparison to the component pathways of the KEGG Pathways in Cancer map reveals that the resulting networks contain both known and novel relationships. The p53 pathway results were manually validated in the literature. 60% of non-KEGG relationships were supported (74% for highly weighted interactions). The method was then applied to yeast data and our model again outperformed the comparison model. Our results demonstrate the advantage of combining gene interactions extracted from the literature in the form of semantic relations with microarray analysis in generating contribution-weighted gene regulatory networks. This methodology can make a significant contribution to understanding the complex interactions involved in cellular behavior and molecular physiology. PMID:24921649

Augmenting microarray data with literature-based knowledge to enhance gene regulatory network inference.

PubMed

Chen, Guocai; Cairelli, Michael J; Kilicoglu, Halil; Shin, Dongwook; Rindflesch, Thomas C

2014-06-01

Gene regulatory networks are a crucial aspect of systems biology in describing molecular mechanisms of the cell. Various computational models rely on random gene selection to infer such networks from microarray data. While incorporation of prior knowledge into data analysis has been deemed important, in practice, it has generally been limited to referencing genes in probe sets and using curated knowledge bases. We investigate the impact of augmenting microarray data with semantic relations automatically extracted from the literature, with the view that relations encoding gene/protein interactions eliminate the need for random selection of components in non-exhaustive approaches, producing a more accurate model of cellular behavior. A genetic algorithm is then used to optimize the strength of interactions using microarray data and an artificial neural network fitness function. The result is a directed and weighted network providing the individual contribution of each gene to its target. For testing, we used invasive ductile carcinoma of the breast to query the literature and a microarray set containing gene expression changes in these cells over several time points. Our model demonstrates significantly better fitness than the state-of-the-art model, which relies on an initial random selection of genes. Comparison to the component pathways of the KEGG Pathways in Cancer map reveals that the resulting networks contain both known and novel relationships. The p53 pathway results were manually validated in the literature. 60% of non-KEGG relationships were supported (74% for highly weighted interactions). The method was then applied to yeast data and our model again outperformed the comparison model. Our results demonstrate the advantage of combining gene interactions extracted from the literature in the form of semantic relations with microarray analysis in generating contribution-weighted gene regulatory networks. This methodology can make a significant contribution to understanding the complex interactions involved in cellular behavior and molecular physiology.

Dynamic and fluid-structure interaction simulations of bioprosthetic heart valves using parametric design with T-splines and Fung-type material models

NASA Astrophysics Data System (ADS)

Hsu, Ming-Chen; Kamensky, David; Xu, Fei; Kiendl, Josef; Wang, Chenglong; Wu, Michael C. H.; Mineroff, Joshua; Reali, Alessandro; Bazilevs, Yuri; Sacks, Michael S.

2015-06-01

This paper builds on a recently developed immersogeometric fluid-structure interaction (FSI) methodology for bioprosthetic heart valve (BHV) modeling and simulation. It enhances the proposed framework in the areas of geometry design and constitutive modeling. With these enhancements, BHV FSI simulations may be performed with greater levels of automation, robustness and physical realism. In addition, the paper presents a comparison between FSI analysis and standalone structural dynamics simulation driven by prescribed transvalvular pressure, the latter being a more common modeling choice for this class of problems. The FSI computation achieved better physiological realism in predicting the valve leaflet deformation than its standalone structural dynamics counterpart.

One-dimensional model of interacting-step fluctuations on vicinal surfaces: Analytical formulas and kinetic Monte-Carlo simulations

NASA Astrophysics Data System (ADS)

Patrone, Paul; Einstein, T. L.; Margetis, Dionisios

2011-03-01

We study a 1+1D, stochastic, Burton-Cabrera-Frank (BCF) model of interacting steps fluctuating on a vicinal crystal. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. Our goal is to formulate and validate a self-consistent mean-field (MF) formalism to approximately solve the system of coupled, nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. We derive formulas for the time-dependent terrace width distribution (TWD) and its steady-state limit. By comparison with kinetic Monte-Carlo simulations, we show that our MF formalism improves upon models in which step interactions are linearized. We also indicate how fitting parameters of our steady state MF TWD may be used to determine the mass transport regime and step interaction energy of certain experimental systems. PP and TLE supported by NSF MRSEC under Grant DMR 05-20471 at U. of Maryland; DM supported by NSF under Grant DMS 08-47587.

A genome-wide survey of transgenerational genetic effects in autism.

PubMed

Tsang, Kathryn M; Croen, Lisa A; Torres, Anthony R; Kharrazi, Martin; Delorenze, Gerald N; Windham, Gayle C; Yoshida, Cathleen K; Zerbo, Ousseny; Weiss, Lauren A

2013-01-01

Effects of parental genotype or parent-offspring genetic interaction are well established in model organisms for a variety of traits. However, these transgenerational genetic models are rarely studied in humans. We have utilized an autism case-control study with 735 mother-child pairs to perform genome-wide screening for maternal genetic effects and maternal-offspring genetic interaction. We used simple models of single locus parent-child interaction and identified suggestive results (P<10(-4)) that cannot be explained by main effects, but no genome-wide significant signals. Some of these maternal and maternal-child associations were in or adjacent to autism candidate genes including: PCDH9, FOXP1, GABRB3, NRXN1, RELN, MACROD2, FHIT, RORA, CNTN4, CNTNAP2, FAM135B, LAMA1, NFIA, NLGN4X, RAPGEF4, and SDK1. We attempted validation of potential autism association under maternal-specific models using maternal-paternal comparison in family-based GWAS datasets. Our results suggest that further study of parental genetic effects and parent-child interaction in autism is warranted.

Test of high-energy hadronic interaction models with high-altitude cosmic-ray data

NASA Astrophysics Data System (ADS)

Haungs, A.; Kempa, J.

2003-09-01

Emulsion experiments placed at high mountain altitudes register hadrons and high-energy γ-rays with an energy threshold in the TeV region. These secondary shower particles are produced in the forward direction of interactions of mainly primary protons and alpha-particles in the Earth's atmosphere. Single γ's and hadrons are mainly produced by the interactions of the primary cosmic-ray nuclei of primary energy below 1015eV. Therefore the measurements are sensitive to the physics of high-energy hadronic interaction models, e.g., as implemented in the Monte Carlo air shower simulation program CORSIKA. By use of detailed simulations invoking various different models for the hadronic interactions we compare the predictions for the single-particle spectra with data of the Pamir experiment. For higher primary energies characteristics of so-called gamma-ray families are used for the comparisons. Including detailed simulations for the Pamir detector we found that the data are incompatible with the HDPM and SIBYLL 1.6 models, but are in agreement with QGSJET, NEXUS, and VENUS.

Atmospheric numerical modeling resource enhancement and model convective parameterization/scale interaction studies

NASA Technical Reports Server (NTRS)

Cushman, Paula P.

1993-01-01

Research will be undertaken in this contract in the area of Modeling Resource and Facilities Enhancement to include computer, technical and educational support to NASA investigators to facilitate model implementation, execution and analysis of output; to provide facilities linking USRA and the NASA/EADS Computer System as well as resident work stations in ESAD; and to provide a centralized location for documentation, archival and dissemination of modeling information pertaining to NASA's program. Additional research will be undertaken in the area of Numerical Model Scale Interaction/Convective Parameterization Studies to include implementation of the comparison of cloud and rain systems and convective-scale processes between the model simulations and what was observed; and to incorporate the findings of these and related research findings in at least two refereed journal articles.

ODISEES: Ontology-Driven Interactive Search Environment for Earth Sciences

NASA Technical Reports Server (NTRS)

Rutherford, Matthew T.; Huffer, Elisabeth B.; Kusterer, John M.; Quam, Brandi M.

2015-01-01

This paper discusses the Ontology-driven Interactive Search Environment for Earth Sciences (ODISEES) project currently being developed to aid researchers attempting to find usable data among an overabundance of closely related data. ODISEES' ontological structure relies on a modular, adaptable concept modeling approach, which allows the domain to be modeled more or less as it is without worrying about terminology or external requirements. In the model, variables are individually assigned semantic content based on the characteristics of the measurements they represent, allowing intuitive discovery and comparison of data without requiring the user to sift through large numbers of data sets and variables to find the desired information.

InterPred: A pipeline to identify and model protein-protein interactions.

PubMed

Mirabello, Claudio; Wallner, Björn

2017-06-01

Protein-protein interactions (PPI) are crucial for protein function. There exist many techniques to identify PPIs experimentally, but to determine the interactions in molecular detail is still difficult and very time-consuming. The fact that the number of PPIs is vastly larger than the number of individual proteins makes it practically impossible to characterize all interactions experimentally. Computational approaches that can bridge this gap and predict PPIs and model the interactions in molecular detail are greatly needed. Here we present InterPred, a fully automated pipeline that predicts and model PPIs from sequence using structural modeling combined with massive structural comparisons and molecular docking. A key component of the method is the use of a novel random forest classifier that integrate several structural features to distinguish correct from incorrect protein-protein interaction models. We show that InterPred represents a major improvement in protein-protein interaction detection with a performance comparable or better than experimental high-throughput techniques. We also show that our full-atom protein-protein complex modeling pipeline performs better than state of the art protein docking methods on a standard benchmark set. In addition, InterPred was also one of the top predictors in the latest CAPRI37 experiment. InterPred source code can be downloaded from http://wallnerlab.org/InterPred Proteins 2017; 85:1159-1170. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Mirror energy difference and the structure of loosely bound proton-rich nuclei around A =20

NASA Astrophysics Data System (ADS)

Yuan, Cenxi; Qi, Chong; Xu, Furong; Suzuki, Toshio; Otsuka, Takaharu

2014-04-01

The properties of loosely bound proton-rich nuclei around A =20 are investigated within the framework of the nuclear shell model. In these nuclei, the strength of the effective interactions involving the loosely bound proton s1/2 orbit is significantly reduced in comparison with that of those in their mirror nuclei. We evaluate the reduction of the effective interaction by calculating the monopole-based-universal interaction (VMU) in the Woods-Saxon basis. The shell-model Hamiltonian in the sd shell, such as USD, can thus be modified to reproduce the binding energies and energy levels of the weakly bound proton-rich nuclei around A =20. The effect of the reduction of the effective interaction on the structure and decay properties of these nuclei is also discussed.

Ultraviolet Light Curves of Gaia16apd in Superluminous Supernova Models

NASA Astrophysics Data System (ADS)

Tolstov, Alexey; Zhiglo, Andrey; Nomoto, Ken'ichi; Sorokina, Elena; Kozyreva, Alexandra; Blinnikov, Sergei

2017-08-01

Observations of Gaia16apd revealed extremely luminous ultraviolet emission among superluminous supernovae (SLSNe). Using radiation hydrodynamics simulations, we perform a comparison of UV light curves, color temperatures, and photospheric velocities between the most popular SLSN models: pair-instability supernova, magnetar, and interaction with circumstellar medium. We find that the interaction model is the most promising to explain the extreme UV luminosity of Gaia16apd. The differences in late-time UV emission and in color evolution found between the models can be used to link an observed SLSN event to the most appropriate model. Observations at UV wavelengths can be used to clarify the nature of SLSNe and more attention should be paid to them in future follow-up observations.

Starbursts in interacting galaxies: Observations and models

NASA Technical Reports Server (NTRS)

Bernloehr, Konrad

1990-01-01

Starbursts have been a puzzling field of research for more than a decade. It is evident that they played a significant role in the evolution of many galaxies but still quite little is known about the starburst mechanisms. A way towards a better interpretation of the available data is the comparison with evolution models of starburst. The modelling of starbursts and the fitting of such model starbursts to observed data is discussed. The models were applied to a subset of starburst and post-starburst galaxies in a sample of 30 interacting systems. These galaxies are not ultraluminous far infrared (FIR) galaxies but rather ordinary starburst galaxies with FIR luminosities of a few 10(exp 10) to a few 10(exp 11) solar luminosities.

Towards end-to-end models for investigating the effects of climate and fishing in marine ecosystems

NASA Astrophysics Data System (ADS)

Travers, M.; Shin, Y.-J.; Jennings, S.; Cury, P.

2007-12-01

End-to-end models that represent ecosystem components from primary producers to top predators, linked through trophic interactions and affected by the abiotic environment, are expected to provide valuable tools for assessing the effects of climate change and fishing on ecosystem dynamics. Here, we review the main process-based approaches used for marine ecosystem modelling, focusing on the extent of the food web modelled, the forcing factors considered, the trophic processes represented, as well as the potential use and further development of the models. We consider models of a subset of the food web, models which represent the first attempts to couple low and high trophic levels, integrated models of the whole ecosystem, and size spectrum models. Comparisons within and among these groups of models highlight the preferential use of functional groups at low trophic levels and species at higher trophic levels and the different ways in which the models account for abiotic processes. The model comparisons also highlight the importance of choosing an appropriate spatial dimension for representing organism dynamics. Many of the reviewed models could be extended by adding components and by ensuring that the full life cycles of species components are represented, but end-to-end models should provide full coverage of ecosystem components, the integration of physical and biological processes at different scales and two-way interactions between ecosystem components. We suggest that this is best achieved by coupling models, but there are very few existing cases where the coupling supports true two-way interaction. The advantages of coupling models are that the extent of discretization and representation can be targeted to the part of the food web being considered, making their development time- and cost-effective. Processes such as predation can be coupled to allow the propagation of forcing factors effects up and down the food web. However, there needs to be a stronger focus on enabling two-way interaction, carefully selecting the key functional groups and species, reconciling different time and space scales and the methods of converting between energy, nutrients and mass.

A Comparative Study of Simulated and Measured Gear-Flap Flow Interaction

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Mineck, Raymond E.; Yao, Chungsheng; Jenkins, Luther N.; Fares, Ehab

2015-01-01

The ability of two CFD solvers to accurately characterize the transient, complex, interacting flowfield asso-ciated with a realistic gear-flap configuration is assessed via comparison of simulated flow with experimental measurements. The simulated results, obtained with NASA's FUN3D and Exa's PowerFLOW® for a high-fidelity, 18% scale semi-span model of a Gulfstream aircraft in landing configuration (39 deg flap deflection, main landing gear on and off) are compared to two-dimensional and stereo particle image velocimetry measurements taken within the gear-flap flow interaction region during wind tunnel tests of the model. As part of the bench-marking process, direct comparisons of the mean and fluctuating velocity fields are presented in the form of planar contour plots and extracted line profiles at measurement planes in various orientations stationed in the main gear wake. The measurement planes in the vicinity of the flap side edge and downstream of the flap trailing edge are used to highlight the effects of gear presence on tip vortex development and the ability of the computational tools to accurately capture such effects. The present study indicates that both computed datasets contain enough detail to construct a relatively accurate depiction of gear-flap flow interaction. Such a finding increases confidence in using the simulated volumetric flow solutions to examine the behavior of pertinent aer-odynamic mechanisms within the gear-flap interaction zone.

4D-LQTA-QSAR and docking study on potent Gram-negative specific LpxC inhibitors: a comparison to CoMFA modeling.

PubMed

Ghasemi, Jahan B; Safavi-Sohi, Reihaneh; Barbosa, Euzébio G

2012-02-01

A quasi 4D-QSAR has been carried out on a series of potent Gram-negative LpxC inhibitors. This approach makes use of the molecular dynamics (MD) trajectories and topology information retrieved from the GROMACS package. This new methodology is based on the generation of a conformational ensemble profile, CEP, for each compound instead of only one conformation, followed by the calculation intermolecular interaction energies at each grid point considering probes and all aligned conformations resulting from MD simulations. These interaction energies are independent variables employed in a QSAR analysis. The comparison of the proposed methodology to comparative molecular field analysis (CoMFA) formalism was performed. This methodology explores jointly the main features of CoMFA and 4D-QSAR models. Step-wise multiple linear regression was used for the selection of the most informative variables. After variable selection, multiple linear regression (MLR) and partial least squares (PLS) methods used for building the regression models. Leave-N-out cross-validation (LNO), and Y-randomization were performed in order to confirm the robustness of the model in addition to analysis of the independent test set. Best models provided the following statistics: [Formula in text] (PLS) and [Formula in text] (MLR). Docking study was applied to investigate the major interactions in protein-ligand complex with CDOCKER algorithm. Visualization of the descriptors of the best model helps us to interpret the model from the chemical point of view, supporting the applicability of this new approach in rational drug design.

Investigating Teacher Stress when Using Technology

ERIC Educational Resources Information Center

Al-Fudail, Mohammed; Mellar, Harvey

2008-01-01

In this study we use a model which we refer to as the "teacher-technology environment interaction model" to explore the issue of the stress experienced by teachers whilst using ICT in the classroom. The methodology we used involved a comparison of three datasets obtained from: direct observation and video-logging of the teachers in the classroom;…

Integration of visual and motion cues for flight simulator requirements and ride quality investigation

NASA Technical Reports Server (NTRS)

Young, L. R.

1976-01-01

Investigations for the improvement of flight simulators are reported. Topics include: visual cues in landing, comparison of linear and nonlinear washout filters using a model of the vestibular system, and visual vestibular interactions (yaw axis). An abstract is given for a thesis on the applications of human dynamic orientation models to motion simulation.

The 1980-81 AFOSR-HTTM-Stanford Conference on Complex Turbulent Flows: Comparison of Computation & Experiment.

DTIC Science & Technology

1982-02-01

1968, 1969 and 1972 Confereaces. Zec -tain items at. the list delineate problems needing research (reattachment zones, *iv/bou j.Azy layer interactions...viscous energy equation--each in unaveraged form. As Peter Bradshaw has put it, God gave us one good model. Why should there be another model that is

Mapping the function of neuronal ion channels in model and experiment

PubMed Central

Podlaski, William F; Seeholzer, Alexander; Groschner, Lukas N; Miesenböck, Gero; Ranjan, Rajnish; Vogels, Tim P

2017-01-01

Ion channel models are the building blocks of computational neuron models. Their biological fidelity is therefore crucial for the interpretation of simulations. However, the number of published models, and the lack of standardization, make the comparison of ion channel models with one another and with experimental data difficult. Here, we present a framework for the automated large-scale classification of ion channel models. Using annotated metadata and responses to a set of voltage-clamp protocols, we assigned 2378 models of voltage- and calcium-gated ion channels coded in NEURON to 211 clusters. The IonChannelGenealogy (ICGenealogy) web interface provides an interactive resource for the categorization of new and existing models and experimental recordings. It enables quantitative comparisons of simulated and/or measured ion channel kinetics, and facilitates field-wide standardization of experimentally-constrained modeling. DOI: http://dx.doi.org/10.7554/eLife.22152.001 PMID:28267430

Improvement in Social Deficits in Autism Spectrum Disorders Using a Theatre-Based, Peer-Mediated Intervention

PubMed Central

Corbett, Blythe A.; Swain, Deanna M.; Coke, Catherine; Simon, David; Newsom, Cassandra; Houchins-Juarez, Nea; Jenson, Ashley; Wang, Lily; Song, Yanna

2013-01-01

Objective SENSE Theatre is a novel intervention program aimed at improving reciprocal social interaction in youth with autism spectrum disorder (ASD) using behavioral strategies and theatrical techniques in a peer-mediated model. Previous research using a 3-month model showed improvement in face perception, social interaction, and reductions in stress. The current study assessed a 2-week summer camp model. Method Typically developing peers were trained and paired with ASD youth (8–17 years). Social perception and interaction skills were measured before and after treatment using neuropsychological and parental measures. Behavioral coding by reliable, independent raters was conducted within the treatment context (theatre) and outside the setting (playground). Salivary cortisol levels to assess physiological arousal were measured across contexts (home, theatre, and playground). A pretest-posttest design for within-group comparisons was used, and pre-specified pairwise comparisons were achieved using a nonparametric Wilcoxon signed rank test. Results Significant differences were observed in face processing, social awareness, and social cognition (p<0.05). Duration of interaction with familiar peers increased significantly over the course of treatment (p<0.05) while engagement with novel peers outside the treatment setting remained stable. Cortisol levels rose on the first day of camp compared to home values yet declined by the end of treatment and further reduced during post-treatment play with peers. Conclusions Results corroborate previous findings that the peer-mediated theatre program contributes to improvement in core social deficits in ASD using a short-term, summer camp treatment model. Future studies will explore treatment length and peer familiarity to optimize and generalize gains. PMID:24150989

Comparing models of star formation simulating observed interacting galaxies

NASA Astrophysics Data System (ADS)

Quiroga, L. F.; Muñoz-Cuartas, J. C.; Rodrigues, I.

2017-07-01

In this work, we make a comparison between different models of star formation to reproduce observed interacting galaxies. We use observational data to model the evolution of a pair of galaxies undergoing a minor merger. Minor mergers represent situations weakly deviated from the equilibrium configuration but significant changes in star fomation (SF) efficiency can take place, then, minor mergers provide an unique scene to study SF in galaxies in a realistic but yet simple way. Reproducing observed systems also give us the opportunity to compare the results of the simulations with observations, which at the end can be used as probes to characterize the models of SF implemented in the comparison. In this work we compare two different star formation recipes implemented in Gadget3 and GIZMO codes. Both codes share the same numerical background, and differences arise mainly in the star formation recipe they use. We use observations from Pico dos Días and GEMINI telescopes and show how we use observational data of the interacting pair in AM2229-735 to characterize the interacting pair. Later we use this information to simulate the evolution of the system to finally reproduce the observations: Mass distribution, morphology and main features of the merger-induced star formation burst. We show that both methods manage to reproduce roughly the star formation activity. We show, through a careful study, that resolution plays a major role in the reproducibility of the system. In that sense, star formation recipe implemented in GIZMO code has shown a more robust performance. Acknowledgements: This work is supported by Colciencias, Doctorado Nacional - 617 program.

Rotor Broadband Noise Prediction with Comparison to Model Data

NASA Technical Reports Server (NTRS)

Brooks, Thomas F.; Burley, Casey L.

2001-01-01

This paper reports an analysis and prediction development of rotor broadband noise. The two primary components of this noise are Blade-Wake Interaction (BWI) noise, due to the blades' interaction with the turbulent wakes of the preceding blades, and "Self" noise, due to the development and shedding of turbulence within the blades' boundary layers. Emphasized in this report is the new code development for Self noise. The analysis and validation employs data from the HART program, a model BO-105 rotor wind tunnel test conducted in the German-Dutch Wind Tunnel (DNW). The BWI noise predictions are based on measured pressure response coherence functions using cross-spectral methods. The Self noise predictions are based on previously reported semiempirical modeling of Self noise obtained from isolated airfoil sections and the use of CAMRAD.Modl to define rotor performance and local blade segment flow conditions. Both BWI and Self noise from individual blade segments are Doppler shifted and summed at the observer positions. Prediction comparisons with measurements show good agreement for a range of rotor operating conditions from climb to steep descent. The broadband noise predictions, along with those of harmonic and impulsive Blade-Vortex Interaction (BVI) noise predictions, demonstrate a significant advance in predictive capability for main rotor noise.

Comparison of an Agent-based Model of Disease Propagation with the Generalised SIR Epidemic Model

DTIC Science & Technology

2009-08-01

has become a practical method for conducting Epidemiological Modelling. In the agent- based approach the whole township can be modelled as a system of...SIR system was initially developed based on a very simplified model of social interaction. For instance an assumption of uniform population mixing was...simulating the progress of a disease within a host and of transmission between hosts is based upon Transportation Analysis and Simulation System

Foundations of reusable and interoperable facet models using category theory

PubMed Central

2016-01-01

Faceted browsing has become ubiquitous with modern digital libraries and online search engines, yet the process is still difficult to abstractly model in a manner that supports the development of interoperable and reusable interfaces. We propose category theory as a theoretical foundation for faceted browsing and demonstrate how the interactive process can be mathematically abstracted. Existing efforts in facet modeling are based upon set theory, formal concept analysis, and light-weight ontologies, but in many regards, they are implementations of faceted browsing rather than a specification of the basic, underlying structures and interactions. We will demonstrate that category theory allows us to specify faceted objects and study the relationships and interactions within a faceted browsing system. Resulting implementations can then be constructed through a category-theoretic lens using these models, allowing abstract comparison and communication that naturally support interoperability and reuse. PMID:27942248

Comparisons of the Maxwell and CLL Gas/Surface Interaction Models Using DSMC

NASA Technical Reports Server (NTRS)

Hedahl, Marc O.

1995-01-01

Two contrasting models of gas-surface interactions are studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate is that of one of the solar panels on the Magellan spacecraft, and the freestream conditions are one of those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two plate system is not representative of the Magellan geometry, but is studied to explore possible experiments that might be used to differentiate between the two gas surface interaction models.

Ex-Vessel Core Melt Modeling Comparison between MELTSPREAD-CORQUENCH and MELCOR 2.1

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

Robb, Kevin R.; Farmer, Mitchell; Francis, Matthew W.

System-level code analyses by both United States and international researchers predict major core melting, bottom head failure, and corium-concrete interaction for Fukushima Daiichi Unit 1 (1F1). Although system codes such as MELCOR and MAAP are capable of capturing a wide range of accident phenomena, they currently do not contain detailed models for evaluating some ex-vessel core melt behavior. However, specialized codes containing more detailed modeling are available for melt spreading such as MELTSPREAD as well as long-term molten corium-concrete interaction (MCCI) and debris coolability such as CORQUENCH. In a preceding study, Enhanced Ex-Vessel Analysis for Fukushima Daiichi Unit 1: Meltmore » Spreading and Core-Concrete Interaction Analyses with MELTSPREAD and CORQUENCH, the MELTSPREAD-CORQUENCH codes predicted the 1F1 core melt readily cooled in contrast to predictions by MELCOR. The user community has taken notice and is in the process of updating their systems codes; specifically MAAP and MELCOR, to improve and reduce conservatism in their ex-vessel core melt models. This report investigates why the MELCOR v2.1 code, compared to the MELTSPREAD and CORQUENCH 3.03 codes, yield differing predictions of ex-vessel melt progression. To accomplish this, the differences in the treatment of the ex-vessel melt with respect to melt spreading and long-term coolability are examined. The differences in modeling approaches are summarized, and a comparison of example code predictions is provided.« less

Interactive visualization of numerical simulation results: A tool for mission planning and data analysis

NASA Technical Reports Server (NTRS)

Berchem, J.; Raeder, J.; Walker, R. J.; Ashour-Abdalla, M.

1995-01-01

We report on the development of an interactive system for visualizing and analyzing numerical simulation results. This system is based on visualization modules which use the Application Visualization System (AVS) and the NCAR graphics packages. Examples from recent simulations are presented to illustrate how these modules can be used for displaying and manipulating simulation results to facilitate their comparison with phenomenological model results and observations.

A hierarchical dislocation-grain boundary interaction model based on 3D discrete dislocation dynamics and molecular dynamics

NASA Astrophysics Data System (ADS)

Gao, Yuan; Zhuang, Zhuo; You, XiaoChuan

2011-04-01

We develop a new hierarchical dislocation-grain boundary (GB) interaction model to predict the mechanical behavior of polycrystalline metals at micro and submicro scales by coupling 3D Discrete Dislocation Dynamics (DDD) simulation with the Molecular Dynamics (MD) simulation. At the microscales, the DDD simulations are responsible for capturing the evolution of dislocation structures; at the nanoscales, the MD simulations are responsible for obtaining the GB energy and ISF energy which are then transferred hierarchically to the DDD level. In the present model, four kinds of dislocation-GB interactions, i.e. transmission, absorption, re-emission and reflection, are all considered. By this methodology, the compression of a Cu micro-sized bi-crystal pillar is studied. We investigate the characteristic mechanical behavior of the bi-crystal compared with that of the single-crystal. Moreover, the comparison between the present penetrable model of GB and the conventional impenetrable model also shows the accuracy and efficiency of the present model.

Pulsational Pair-instability Model for Superluminous Supernova PTF12dam: Interaction and Radioactive Decay

NASA Astrophysics Data System (ADS)

Tolstov, Alexey; Nomoto, Ken'ichi; Blinnikov, Sergei; Sorokina, Elena; Quimby, Robert; Baklanov, Petr

2017-02-01

Being a superluminous supernova, PTF12dam can be explained by a 56Ni-powered model, a magnetar-powered model, or an interaction model. We propose that PTF12dam is a pulsational pair-instability supernova, where the outer envelope of a progenitor is ejected during the pulsations. Thus, it is powered by a double energy source: radioactive decay of 56Ni and a radiative shock in a dense circumstellar medium. To describe multicolor light curves and spectra, we use radiation-hydrodynamics calculations of the STELLA code. We found that light curves are well described in the model with 40 M⊙ ejecta and 20-40 M⊙ circumstellar medium. The ejected 56Ni mass is about 6 M⊙, which results from explosive nucleosynthesis with large explosion energy (2-3) × 1052 erg. In comparison with alternative scenarios of pair-instability supernova and magnetar-powered supernova, in the interaction model, all the observed main photometric characteristics are well reproduced: multicolor light curves, color temperatures, and photospheric velocities.

Modeling of interactions of electromagnetic fields with human bodies

NASA Astrophysics Data System (ADS)

Caputa, Krzysztof

Interactions of electromagnetic fields with the human body have been a subject of scientific interest and public concern. In recent years, issues in power line field effects and those of wireless telephones have been in the forefront of research. Engineering research compliments biological investigations by quantifying the induced fields in biological bodies due to exposure to external fields. The research presented in this thesis aims at providing reliable tools, and addressing some of the unresolved issues related to interactions with the human body of power line fields and fields produced by handheld wireless telephones. The research comprises two areas, namely development of versatile models of the human body and their visualisation, and verification and application of numerical codes to solve selected problems of interest. The models of the human body, which are based on the magnetic resonance scans of the body, are unique and differ considerably from other models currently available. With the aid of computer software developed, the models can be arranged to different postures, and medical devices can be accurately placed inside them. A previously developed code for modeling interactions of power line fields with biological bodies has been verified by rigorous, quantitative inter-laboratory comparison for two human body models. This code has been employed to model electromagnetic interference (EMI) of the magnetic field with implanted cardiac pacemakers. In this case, the correct placement and representation of the pacemaker leads are critical, as simplified computations have been shown to result in significant errors. In modeling interactions of wireless communication devices, the finite difference time domain technique (FDTD) has become a de facto standard. The previously developed code has been verified by comparison with the analytical solution for a conductive sphere. While previously researchers limited their verifications to principal axes of the sphere, a global (volumetric) fields evaluation allowed for identification of locations of errors due to staircasing, and the singularities responsible for them. In evaluation of safety of cellular telephones and similar devices, the specific absorption rate (SAR) averaged over a 1 g (in North America) or 10 g (in Europe) cube is used. A new algorithm has been developed and tested, which allows for automatic and reliable identification of the maximum value with a user-selected inclusion of air (if required). This algorithm and the verified code have been used to model performance of a commercial telephone in the proximity of head, and to model EMI of this phone with a hearing aid placed in the ear canal. The modeling results, which relied on a proper representation of the antenna consisting of two helices and complex shape and structure of the telephone case, have been confirmed by measurements performed in another laboratory. Similarly, the EMI modeling has been in agreement with acoustic measurements (performed elsewhere). The latter comparison has allowed to confirm anticipated mechanism of the EMI.

Turbulent Chemical Interaction Models in NCC: Comparison

NASA Technical Reports Server (NTRS)

Norris, Andrew T.; Liu, Nan-Suey

2006-01-01

The performance of a scalar PDF hydrogen-air combustion model in predicting a complex reacting flow is evaluated. In addition the results are compared to those obtained by running the same case with the so-called laminar chemistry model and also a new model based on the concept of mapping partially stirred reactor data onto perfectly stirred reactor data. The results show that the scalar PDF model produces significantly different results from the other two models, and at a significantly higher computational cost.

On the torsional loading of elastoplastic spheres in contact

NASA Astrophysics Data System (ADS)

Nadimi, Sadegh; Fonseca, Joana

2017-06-01

The mechanical interaction between two bodies involves normal loading in combination with tangential, torsional and rotational loading. This paper focuses on the torsional loading of two spherical bodies which leads to twisting moment. The theoretical approach for calculating twisting moment between two spherical bodies has been proposed by Lubkin [1]. Due to the complexity of the solution, this has been simplified by Deresiewicz for discrete element modelling [2]. Here, the application of a simplified model for elastoplastic spheres is verified using computational modelling. The single grain interaction is simulated in a combined finite discrete element domain. In this domain a grain can deform using a finite element formulation and can interact with other objects based on discrete element principles. For an elastoplastic model, the contact area is larger in comparison with the elastic model, under a given normal force. Therefore, the plastic twisting moment is stiffer. The results presented here are important for describing any granular system involving torsional loading of elastoplastic grains. In particular, recent research on the behaviour of soil has clearly shown the importance of plasticity on grain interaction and rearrangement.

Forward-backward multiplicity correlation in high-energy nucleus-nucleus interactions at a few AGeV/c

NASA Astrophysics Data System (ADS)

Bhattacharyya, Swarnapratim; Haiduc, Maria; Neagu, Alina Tania; Firu, Elena

2014-07-01

We have presented a systematic study of two-particle rapidity correlations in terms of investigating the dynamical fluctuation observable \\sigma _c^2 in the forward-backward pseudo-rapidity windows by analyzing the experimental data of {}_{}^{16} O{--}AgBr interactions at 4.5 AGeV/c, {}_{}^{22} Ne{--}AgBr interactions at 4.1 AGeV/c, {}_{}^{28} Si{--}AgBr and {}_{}^{32} S{--}AgBr interactions at 4.5 AGeV/c. The experimental results have been compared with the results obtained from the analysis of event sample simulated (MC-RAND) by generating random numbers and also with the analysis of events generated by the UrQMD and AMPT model. Our study confirms the presence of strong short-range correlations among the produced particles in the forward and the backward pseudo-rapidity region. The analysis of the simple Monte Carlo-simulated (MC-RAND) events signifies that the observed correlations are not due to mere statistics only; explanation of such correlations can be attributed to the presence of dynamical fluctuations during the production of charged pions. Comparisons of the experimental results with the results obtained from analyzing the UrQMD data sample indicate that the UrQMD model cannot reproduce the experimental findings. The AMPT model also cannot explain the experimental results satisfactorily. Comparisons of our experimental results with the results obtained from the analysis of higher energy emulsion data and with the results of the RHIC data have also been presented.

Efficient Posterior Probability Mapping Using Savage-Dickey Ratios

PubMed Central

Penny, William D.; Ridgway, Gerard R.

2013-01-01

Statistical Parametric Mapping (SPM) is the dominant paradigm for mass-univariate analysis of neuroimaging data. More recently, a Bayesian approach termed Posterior Probability Mapping (PPM) has been proposed as an alternative. PPM offers two advantages: (i) inferences can be made about effect size thus lending a precise physiological meaning to activated regions, (ii) regions can be declared inactive. This latter facility is most parsimoniously provided by PPMs based on Bayesian model comparisons. To date these comparisons have been implemented by an Independent Model Optimization (IMO) procedure which separately fits null and alternative models. This paper proposes a more computationally efficient procedure based on Savage-Dickey approximations to the Bayes factor, and Taylor-series approximations to the voxel-wise posterior covariance matrices. Simulations show the accuracy of this Savage-Dickey-Taylor (SDT) method to be comparable to that of IMO. Results on fMRI data show excellent agreement between SDT and IMO for second-level models, and reasonable agreement for first-level models. This Savage-Dickey test is a Bayesian analogue of the classical SPM-F and allows users to implement model comparison in a truly interactive manner. PMID:23533640

A coupled sharp-interface immersed boundary-finite-element method for flow-structure interaction with application to human phonation.

PubMed

Zheng, X; Xue, Q; Mittal, R; Beilamowicz, S

2010-11-01

A new flow-structure interaction method is presented, which couples a sharp-interface immersed boundary method flow solver with a finite-element method based solid dynamics solver. The coupled method provides robust and high-fidelity solution for complex flow-structure interaction (FSI) problems such as those involving three-dimensional flow and viscoelastic solids. The FSI solver is used to simulate flow-induced vibrations of the vocal folds during phonation. Both two- and three-dimensional models have been examined and qualitative, as well as quantitative comparisons, have been made with established results in order to validate the solver. The solver is used to study the onset of phonation in a two-dimensional laryngeal model and the dynamics of the glottal jet in a three-dimensional model and results from these studies are also presented.

Data-Model and Inter-Model Comparisons of the GEM Outflow Events Using the Space Weather Modeling Framework

NASA Astrophysics Data System (ADS)

Welling, D. T.; Eccles, J. V.; Barakat, A. R.; Kistler, L. M.; Haaland, S.; Schunk, R. W.; Chappell, C. R.

2015-12-01

Two storm periods were selected by the Geospace Environment Modeling Ionospheric Outflow focus group for community collaborative study because of its high magnetospheric activity and extensive data coverage: the September 27 - October 4, 2002 corotating interaction region event and the October 22 - 29 coronal mass ejection event. During both events, the FAST, Polar, Cluster, and other missions made key observations, creating prime periods for data-model comparison. The GEM community has come together to simulate this period using many different methods in order to evaluate models, compare results, and expand our knowledge of ionospheric outflow and its effects on global dynamics. This paper presents Space Weather Modeling Framework (SWMF) simulations of these important periods compared against observations from the Polar TIDE, Cluster CODIF and EFW instruments. Emphasis will be given to the second event. Density and velocity of oxygen and hydrogen throughout the lobes, plasma sheet, and inner magnetosphere will be the focus of these comparisons. For these simulations, the SWMF couples the multifluid version of BATS-R-US MHD to a variety of ionospheric outflow models of varying complexity. The simplest is outflow arising from constant MHD inner boundary conditions. Two first-principles-based models are also leveraged: the Polar Wind Outflow Model (PWOM), a fluid treatment of outflow dynamics, and the Generalized Polar Wind (GPW) model, which combines fluid and particle-in-cell approaches. Each model is capable of capturing a different set of energization mechanisms, yielding different outflow results. The data-model comparisons will illustrate how well each approach captures reality and which energization mechanisms are most important. Inter-model comparisons will illustrate how the different outflow specifications affect the magnetosphere. Specifically, it is found that the GPW provides increased heavy ion outflow over a broader spatial range than the alternative models, improving comparisons in some regions but degrading the agreement in others. This work will also assess our current capability to reproduce ionosphere-magnetosphere mass coupling.

Goddard Cumulus Ensemble (GCE) Model: Application for Understanding Precipitation Processes

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo

2002-01-01

One of the most promising methods to test the representation of cloud processes used in climate models is to use observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and realistic representations of cloud microphysical processes, and they can reasonably well resolve the time evolution, structure, and life cycles of clouds and cloud systems (size about 2-200 km). The CRMs also allow explicit interaction between out-going longwave (cooling) and incoming solar (heating) radiation with clouds. Observations can provide the initial conditions and validation for CRM results. The Goddard Cumulus Ensemble (GCE) Model, a cloud-resolving model, has been developed and improved at NASA/Goddard Space Flight Center over the past two decades. Dr. Joanne Simpson played a central role in GCE modeling developments and applications. She was the lead author or co-author on more than forty GCE modeling papers. In this paper, a brief discussion and review of the application of the GCE model to (1) cloud interactions and mergers, (2) convective and stratiform interaction, (3) mechanisms of cloud-radiation interaction, (4) latent heating profiles and TRMM, and (5) responses of cloud systems to large-scale processes are provided. Comparisons between the GCE model's results, other cloud-resolving model results and observations are also examined.

Sea ice-atmospheric interaction: Application of multispectral satellite data in polar surface energy flux estimates

NASA Technical Reports Server (NTRS)

Steffen, Konrad; Key, J.; Maslanik, J.; Schweiger, A.

1993-01-01

This is the third annual report on: Sea Ice-Atmosphere Interaction - Application of Multispectral Satellite Data in Polar Surface Energy Flux Estimates. The main emphasis during the past year was on: radiative flux estimates from satellite data; intercomparison of satellite and ground-based cloud amounts; radiative cloud forcing; calibration of the Advanced Very High Resolution Radiometer (AVHRR) visible channels and comparison of two satellite derived albedo data sets; and on flux modeling for leads. Major topics covered are arctic clouds and radiation; snow and ice albedo, and leads and modeling.

Dynamic and fluid–structure interaction simulations of bioprosthetic heart valves using parametric design with T-splines and Fung-type material models

PubMed Central

Kamensky, David; Xu, Fei; Kiendl, Josef; Wang, Chenglong; Wu, Michael C. H.; Mineroff, Joshua; Reali, Alessandro; Bazilevs, Yuri; Sacks, Michael S.

2015-01-01

This paper builds on a recently developed immersogeometric fluid–structure interaction (FSI) methodology for bioprosthetic heart valve (BHV) modeling and simulation. It enhances the proposed framework in the areas of geometry design and constitutive modeling. With these enhancements, BHV FSI simulations may be performed with greater levels of automation, robustness and physical realism. In addition, the paper presents a comparison between FSI analysis and standalone structural dynamics simulation driven by prescribed transvalvular pressure, the latter being a more common modeling choice for this class of problems. The FSI computation achieved better physiological realism in predicting the valve leaflet deformation than its standalone structural dynamics counterpart. PMID:26392645

Detailed Modeling of Distillation Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA?s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents efforts to develop chemical process simulations for three technologies: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system and the Wiped-Film Rotating Disk (WFRD) using the Aspen Custom Modeler and Aspen Plus process simulation tools. The paper discusses system design, modeling details, and modeling results for each technology and presents some comparisons between the model results and recent test data. Following these initial comparisons, some general conclusions and forward work are discussed.

COMPARISON OF THE OCTANOL-AIR PARTITION COEFFICIENT AND LIQUID-PHASE VAPOR PRESSURE AS DESCRIPTORS FOR PARTICLE/GAS PARTITIONING USING LABORATORY AND FIELD DATA FOR PCBS AND PCNS

EPA Science Inventory

The conventional Junge-Pankow adsorption model uses the sub-cooled liquid vapor pressure (pLo) as a correlation parameter for gas/particle interactions. An alternative is the octanol-air partition coefficient (Koa) absorption model. Log-log plots of the particle-gas partition c...

Separated transonic airfoil flow calculations with a nonequilibrium turbulence model

NASA Technical Reports Server (NTRS)

King, L. S.; Johnson, D. A.

1985-01-01

Navier-Stokes transonic airfoil calculations based on a recently developed nonequilibrium, turbulence closure model are presented for a supercritical airfoil section at transonic cruise conditions and for a conventional airfoil section at shock-induced stall conditions. Comparisons with experimental data are presented which show that this nonequilibrium closure model performs significantly better than the popular Baldwin-Lomax and Cebeci-Smith equilibrium algebraic models when there is boundary-layer separation that results from the inviscid-viscous interactions.

Ultraviolet Light Curves of Gaia16apd in Superluminous Supernova Models

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

Tolstov, Alexey; Zhiglo, Andrey; Nomoto, Ken’ichi

2017-08-10

Observations of Gaia16apd revealed extremely luminous ultraviolet emission among superluminous supernovae (SLSNe). Using radiation hydrodynamics simulations, we perform a comparison of UV light curves, color temperatures, and photospheric velocities between the most popular SLSN models: pair-instability supernova, magnetar, and interaction with circumstellar medium. We find that the interaction model is the most promising to explain the extreme UV luminosity of Gaia16apd. The differences in late-time UV emission and in color evolution found between the models can be used to link an observed SLSN event to the most appropriate model. Observations at UV wavelengths can be used to clarify the naturemore » of SLSNe and more attention should be paid to them in future follow-up observations.« less

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.

Io's Magnetospheric Interaction: An MHD Model with Day-Night Asymmetry

NASA Technical Reports Server (NTRS)

Kabin, K.; Combi, M. R.; Gombosi, T. I.; DeZeeuw, D. L.; Hansen, K. C.; Powell, K. G.

2001-01-01

In this paper we present the results of all improved three-dimensional MHD model for Io's interaction with Jupiter's magnetosphere. We have included the day-night asymmetry into the spatial distribution of our mass-loading, which allowed us to reproduce several smaller features or the Galileo December 1995 data set. The calculation is performed using our newly modified description of the pick-up processes that accounts for the effects of the corotational electric field existing in the Jovian magnetosphere. This change in the formulation of the source terms for the MHD equations resulted in significant improvements in the comparison with the Galileo measurements. We briefly discuss the limitations of our model and possible future improvements.

An interactive environment for the analysis of large Earth observation and model data sets

NASA Technical Reports Server (NTRS)

Bowman, Kenneth P.; Walsh, John E.; Wilhelmson, Robert B.

1993-01-01

We propose to develop an interactive environment for the analysis of large Earth science observation and model data sets. We will use a standard scientific data storage format and a large capacity (greater than 20 GB) optical disk system for data management; develop libraries for coordinate transformation and regridding of data sets; modify the NCSA X Image and X DataSlice software for typical Earth observation data sets by including map transformations and missing data handling; develop analysis tools for common mathematical and statistical operations; integrate the components described above into a system for the analysis and comparison of observations and model results; and distribute software and documentation to the scientific community.

An interactive environment for the analysis of large Earth observation and model data sets

NASA Technical Reports Server (NTRS)

Bowman, Kenneth P.; Walsh, John E.; Wilhelmson, Robert B.

1992-01-01

We propose to develop an interactive environment for the analysis of large Earth science observation and model data sets. We will use a standard scientific data storage format and a large capacity (greater than 20 GB) optical disk system for data management; develop libraries for coordinate transformation and regridding of data sets; modify the NCSA X Image and X Data Slice software for typical Earth observation data sets by including map transformations and missing data handling; develop analysis tools for common mathematical and statistical operations; integrate the components described above into a system for the analysis and comparison of observations and model results; and distribute software and documentation to the scientific community.

Comparison of Mars Science Laboratory Reaction Control System Jet Computations With Flow Visualization and Velocimetry

NASA Technical Reports Server (NTRS)

Bathel, Brett F.; Danehy, Paul M.; Johansen, Craig T.; Ashcraft, Scott W.; Novak, Luke A.

2013-01-01

Numerical predictions of the Mars Science Laboratory reaction control system jets interacting with a Mach 10 hypersonic flow are compared to experimental nitric oxide planar laser-induced fluorescence data. The steady Reynolds Averaged Navier Stokes equations using the Baldwin-Barth one-equation turbulence model were solved using the OVERFLOW code. The experimental fluorescence data used for comparison consists of qualitative two-dimensional visualization images, qualitative reconstructed three-dimensional flow structures, and quantitative two-dimensional distributions of streamwise velocity. Through modeling of the fluorescence signal equation, computational flow images were produced and directly compared to the qualitative fluorescence data.

Evaluating Galactic Cosmic Ray Environment Models Using RaD-X Flight Data

NASA Technical Reports Server (NTRS)

Norman, R. B.; Mertens, C. J.; Slaba, T. C.

2016-01-01

Galactic cosmic rays enter Earth's atmosphere after interacting with the geomagnetic field. The primary galactic cosmic rays spectrum is fundamentally changed as it interacts with Earth's atmosphere through nuclear and atomic interactions. At points deeper in the atmosphere, such as at airline altitudes, the radiation environment is a combination of the primary galactic cosmic rays and the secondary particles produced through nuclear interactions. The RaD-X balloon experiment measured the atmospheric radiation environment above 20 km during 2 days in September 2015. These experimental measurements were used to validate and quantify uncertainty in physics-based models used to calculate exposure levels for commercial aviation. In this paper, the Badhwar-O'Neill 2014, the International Organization for Standardization 15390, and the German Aerospace Company galactic cosmic ray environment models are used as input into the same radiation transport code to predict and compare dosimetric quantities to RaD-X measurements. In general, the various model results match the measured tissue equivalent dose well, with results generated by the German Aerospace Center galactic cosmic ray environment model providing the best comparison. For dose equivalent and dose measured in silicon, however, the models were compared less favorably to the measurements.

van der Waals Interactions in Hadron Resonance Gas: From Nuclear Matter to Lattice QCD.

PubMed

Vovchenko, Volodymyr; Gorenstein, Mark I; Stoecker, Horst

2017-05-05

An extension of the ideal hadron resonance gas (HRG) model is constructed which includes the attractive and repulsive van der Waals (VDW) interactions between baryons. This VDW-HRG model yields the nuclear liquid-gas transition at low temperatures and high baryon densities. The VDW parameters a and b are fixed by the ground state properties of nuclear matter, and the temperature dependence of various thermodynamic observables at zero chemical potential are calculated within the VDW-HRG model. Compared to the ideal HRG model, the inclusion of VDW interactions between baryons leads to a qualitatively different behavior of second and higher moments of fluctuations of conserved charges, in particular in the so-called crossover region T∼140-190  MeV. For many observables this behavior resembles closely the results obtained from lattice QCD simulations. This hadronic model also predicts nontrivial behavior of net-baryon fluctuations in the region of phase diagram probed by heavy-ion collision experiments. These results imply that VDW interactions play a crucial role in the thermodynamics of hadron gas. Thus, the commonly performed comparisons of the ideal HRG model with the lattice and heavy-ion data may lead to misconceptions and misleading conclusions.

Regularization method for large eddy simulations of shock-turbulence interactions

NASA Astrophysics Data System (ADS)

Braun, N. O.; Pullin, D. I.; Meiron, D. I.

2018-05-01

The rapid change in scales over a shock has the potential to introduce unique difficulties in Large Eddy Simulations (LES) of compressible shock-turbulence flows if the governing model does not sufficiently capture the spectral distribution of energy in the upstream turbulence. A method for the regularization of LES of shock-turbulence interactions is presented which is constructed to enforce that the energy content in the highest resolved wavenumbers decays as k - 5 / 3, and is computed locally in physical-space at low computational cost. The application of the regularization to an existing subgrid scale model is shown to remove high wavenumber errors while maintaining agreement with Direct Numerical Simulations (DNS) of forced and decaying isotropic turbulence. Linear interaction analysis is implemented to model the interaction of a shock with isotropic turbulence from LES. Comparisons to analytical models suggest that the regularization significantly improves the ability of the LES to predict amplifications in subgrid terms over the modeled shockwave. LES and DNS of decaying, modeled post shock turbulence are also considered, and inclusion of the regularization in shock-turbulence LES is shown to improve agreement with lower Reynolds number DNS.

Social support, sense of community in school, and self-efficacy as resources during early adolescence: an integrative model.

PubMed

Vieno, Alessio; Santinello, Massimo; Pastore, Massimiliano; Perkins, Douglas D

2007-03-01

Influences of different sources of social support (from parents and friends), school sense of community, and self-efficacy on psychosocial well being (as measured by self-reported life satisfaction and psychological symptoms) in early adolescence were investigated in an integrative model. The model was tested using structural equation modeling. Multi-group comparisons were used to estimate differences between sex and age groups. The survey sample was composed of 7,097 students in Northern Italy (51.4% male) divided into three age cohorts (equivalent to 6th, 8th, and 10th grades with median ages of 11, 13, and 15). Findings obtained using SEM were consistent with self-efficacy and school sense of community mediating effects of social support on psychosocial adjustment. The multi-group comparison indicates a need for more complex developmental models and more research on how changing forms of support interact with each other as their effects also change during this important stage of the life. Implications for primary prevention and cross-cultural comparisons are discussed.

Comparing the Degree of Land-Atmosphere Interaction in Four Atmospheric General Circulation Models

NASA Technical Reports Server (NTRS)

Koster, Randal D.; Dirmeyer, Paul A.; Hahmann, Andrea N.; Ijpelaar, Ruben; Tyahla, Lori; Cox, Peter; Suarez, Max J.; Houser, Paul R. (Technical Monitor)

2001-01-01

Land-atmosphere feedback, by which (for example) precipitation-induced moisture anomalies at the land surface affect the overlying atmosphere and thereby the subsequent generation of precipitation, has been examined and quantified with many atmospheric general circulation models (AGCMs). Generally missing from such studies, however, is an indication of the extent to which the simulated feedback strength is model dependent. Four modeling groups have recently performed a highly controlled numerical experiment that allows an objective inter-model comparison of land-atmosphere feedback strength. The experiment essentially consists of an ensemble of simulations in which each member simulation artificially maintains the same time series of surface prognostic variables. Differences in atmospheric behavior between the ensemble members then indicates the degree to which the state of the land surface controls atmospheric processes in that model. A comparison of the four sets of experimental results shows that feedback strength does indeed vary significantly between the AGCMs.

Improvements in simulation of multiple scattering effects in ATLAS fast simulation

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

Basalaev, A. E., E-mail: artem.basalaev@cern.ch

Fast ATLAS Tracking Simulation (Fatras) package was verified on single layer geometry with respect to full simulation with GEANT4. Fatras hadronic interactions and multiple scattering simulation were studied in comparison with GEANT4. Disagreement was found in multiple scattering distributions of primary charged particles (μ, π, e). A new model for multiple scattering simulation was implemented in Fatras. The model was based on R. Frühwirth’s mixture models. New model was tested on single layer geometry and a good agreement with GEANT4 was achieved. Also a comparison of reconstructed tracks’ parameters was performed for Inner Detector geometry, and Fatras with new multiplemore » scattering model proved to have better agreement with GEANT4. New model of multiple scattering was added as a part of Fatras package in the development release of ATLAS software—ATHENA.« less

Activity-induced clustering in model dumbbell swimmers: the role of hydrodynamic interactions.

PubMed

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Effect of the band structure in a rigorous two-body model with long-range interactions in 1D optical lattices

NASA Astrophysics Data System (ADS)

Kristensen, Tom; Simoni, Andrea; Launay, Jean-Michel

2016-05-01

We compute scattering and bound state properties for two ultracold molecules in a pure 1D optical lattice. We introduce reference functions with complex quasi-momentum that naturally account for the effect of excited energy bands. Our exact results for a short-range interaction are first compared with the simplest version of the standard Bose-Hubbard (BH) model. Such comparison allows us to highlight the effect of the excited bands, of the non-on-site interaction and of tunneling with distant neighbor, that are not taken into account in the BH model. The effective interaction can depend strongly on the particle quasi-momenta and can present a resonant behavior even in a deep lattice. As a second step, we study scattering of two polar particles in the optical lattice. Peculiar Wigner threshold laws stem from the interplay of the long range dipolar interaction and the presence of the energy bands. We finally assess the validity of an extended Bose-Hubbard model for dipolar gases based on our exact two-body calculations. This work was supported by the Agence Nationale de la Recherche (Contract No. ANR-12-BS04-0020-01).

Activity-induced clustering in model dumbbell swimmers: The role of hydrodynamic interactions

NASA Astrophysics Data System (ADS)

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E.

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Improvement in social deficits in autism spectrum disorders using a theatre-based, peer-mediated intervention.

PubMed

Corbett, Blythe A; Swain, Deanna M; Coke, Catherine; Simon, David; Newsom, Cassandra; Houchins-Juarez, Nea; Jenson, Ashley; Wang, Lily; Song, Yanna

2014-02-01

Social Emotional NeuroScience Endocrinology Theatre is a novel intervention program aimed at improving reciprocal social interaction in youth with autism spectrum disorder (ASD) using behavioral strategies and theatrical techniques in a peer-mediated model. Previous research using a 3-month model showed improvement in face perception, social interaction, and reductions in stress. The current study assessed a 2-week summer camp model. Typically developing peers were trained and paired with ASD youth (8-17 years). Social perception and interaction skills were measured before and after treatment using neuropsychological and parental measures. Behavioral coding by reliable, independent raters was conducted within the treatment context (theatre) and outside the setting (playground). Salivary cortisol levels to assess physiological arousal were measured across contexts (home, theatre, and playground). A pretest-posttest design for within-group comparisons was used, and prespecified pairwise comparisons were achieved using a nonparametric Wilcoxon signed-rank test. Significant differences were observed in face processing, social awareness, and social cognition (P < 0.05). Duration of interaction with familiar peers increased significantly over the course of treatment (P < 0.05), while engagement with novel peers outside the treatment setting remained stable. Cortisol levels rose on the first day of camp compared with home values yet declined by the end of treatment and further reduced during posttreatment play with peers. Results corroborate previous findings that the peer-mediated theatre program contributes to improvement in core social deficits in ASD using a short-term, summer camp treatment model. Future studies will explore treatment length and peer familiarity to optimize and generalize gains. © 2013 International Society for Autism Research, Wiley Periodicals, Inc.

Visual search for conjunctions of physical and numerical size shows that they are processed independently.

PubMed

Sobel, Kenith V; Puri, Amrita M; Faulkenberry, Thomas J; Dague, Taylor D

2017-03-01

The size congruity effect refers to the interaction between numerical magnitude and physical digit size in a symbolic comparison task. Though this effect is well established in the typical 2-item scenario, the mechanisms at the root of the interference remain unclear. Two competing explanations have emerged in the literature: an early interaction model and a late interaction model. In the present study, we used visual conjunction search to test competing predictions from these 2 models. Participants searched for targets that were defined by a conjunction of physical and numerical size. Some distractors shared the target's physical size, and the remaining distractors shared the target's numerical size. We held the total number of search items fixed and manipulated the ratio of the 2 distractor set sizes. The results from 3 experiments converge on the conclusion that numerical magnitude is not a guiding feature for visual search, and that physical and numerical magnitude are processed independently, which supports a late interaction model of the size congruity effect. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Exchange interactions in transition metal oxides: the role of oxygen spin polarization.

PubMed

Logemann, R; Rudenko, A N; Katsnelson, M I; Kirilyuk, A

2017-08-23

Magnetism of transition metal (TM) oxides is usually described in terms of the Heisenberg model, with orientation-independent interactions between the spins. However, the applicability of such a model is not fully justified for TM oxides because spin polarization of oxygen is usually ignored. In the conventional model based on the Anderson principle, oxygen effects are considered as a property of the TM ion and only TM interactions are relevant. Here, we perform a systematic comparison between two approaches for spin polarization on oxygen in typical TM oxides. To this end, we calculate the exchange interactions in NiO, MnO and hematite (Fe 2 O 3 ) for different magnetic configurations using the magnetic force theorem. We consider the full spin Hamiltonian including oxygen sites, and also derive an effective model where the spin polarization on oxygen renormalizes the exchange interactions between TM sites. Surprisingly, the exchange interactions in NiO depend on the magnetic state if spin polarization on oxygen is neglected, resulting in non-Heisenberg behavior. In contrast, the inclusion of spin polarization in NiO makes the Heisenberg model more applicable. Just the opposite, MnO behaves as a Heisenberg magnet when oxygen spin polarization is neglected, but shows strong non-Heisenberg effects when spin polarization on oxygen is included. In hematite, both models result in non-Heisenberg behavior. The general applicability of the magnetic force theorem as well as the Heisenberg model to TM oxides is discussed.

An interactive website for analytical method comparison and bias estimation.

PubMed

Bahar, Burak; Tuncel, Ayse F; Holmes, Earle W; Holmes, Daniel T

2017-12-01

Regulatory standards mandate laboratories to perform studies to ensure accuracy and reliability of their test results. Method comparison and bias estimation are important components of these studies. We developed an interactive website for evaluating the relative performance of two analytical methods using R programming language tools. The website can be accessed at https://bahar.shinyapps.io/method_compare/. The site has an easy-to-use interface that allows both copy-pasting and manual entry of data. It also allows selection of a regression model and creation of regression and difference plots. Available regression models include Ordinary Least Squares, Weighted-Ordinary Least Squares, Deming, Weighted-Deming, Passing-Bablok and Passing-Bablok for large datasets. The server processes the data and generates downloadable reports in PDF or HTML format. Our website provides clinical laboratories a practical way to assess the relative performance of two analytical methods. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Comparison of GEANT4 very low energy cross section models with experimental data in water.

PubMed

Incerti, S; Ivanchenko, A; Karamitros, M; Mantero, A; Moretto, P; Tran, H N; Mascialino, B; Champion, C; Ivanchenko, V N; Bernal, M A; Francis, Z; Villagrasa, C; Baldacchin, G; Guèye, P; Capra, R; Nieminen, P; Zacharatou, C

2010-09-01

The GEANT4 general-purpose Monte Carlo simulation toolkit is able to simulate physical interaction processes of electrons, hydrogen and helium atoms with charge states (H0, H+) and (He0, He+, He2+), respectively, in liquid water, the main component of biological systems, down to the electron volt regime and the submicrometer scale, providing GEANT4 users with the so-called "GEANT4-DNA" physics models suitable for microdosimetry simulation applications. The corresponding software has been recently re-engineered in order to provide GEANT4 users with a coherent and unique approach to the simulation of electromagnetic interactions within the GEANT4 toolkit framework (since GEANT4 version 9.3 beta). This work presents a quantitative comparison of these physics models with a collection of experimental data in water collected from the literature. An evaluation of the closeness between the total and differential cross section models available in the GEANT4 toolkit for microdosimetry and experimental reference data is performed using a dedicated statistical toolkit that includes the Kolmogorov-Smirnov statistical test. The authors used experimental data acquired in water vapor as direct measurements in the liquid phase are not yet available in the literature. Comparisons with several recommendations are also presented. The authors have assessed the compatibility of experimental data with GEANT4 microdosimetry models by means of quantitative methods. The results show that microdosimetric measurements in liquid water are necessary to assess quantitatively the validity of the software implementation for the liquid water phase. Nevertheless, a comparison with existing experimental data in water vapor provides a qualitative appreciation of the plausibility of the simulation models. The existing reference data themselves should undergo a critical interpretation and selection, as some of the series exhibit significant deviations from each other. The GEANT4-DNA physics models available in the GEANT4 toolkit have been compared in this article to available experimental data in the water vapor phase as well as to several published recommendations on the mass stopping power. These models represent a first step in the extension of the GEANT4 Monte Carlo toolkit to the simulation of biological effects of ionizing radiation.

A comparison/validation of a fractional derivative model with an empirical model of non-linear shock waves in swelling shales

NASA Astrophysics Data System (ADS)

Droghei, Riccardo; Salusti, Ettore

2013-04-01

Control of drilling parameters, as fluid pressure, mud weight, salt concentration is essential to avoid instabilities when drilling through shale sections. To investigate shale deformation, fundamental for deep oil drilling and hydraulic fracturing for gas extraction ("fracking"), a non-linear model of mechanic and chemo-poroelastic interactions among fluid, solute and the solid matrix is here discussed. The two equations of this model describe the isothermal evolution of fluid pressure and solute density in a fluid saturated porous rock. Their solutions are quick non-linear Burger's solitary waves, potentially destructive for deep operations. In such analysis the effect of diffusion, that can play a particular role in fracking, is investigated. Then, following Civan (1998), both diffusive and shock waves are applied to fine particles filtration due to such quick transients , their effect on the adjacent rocks and the resulting time-delayed evolution. Notice how time delays in simple porous media dynamics have recently been analyzed using a fractional derivative approach. To make a tentative comparison of these two deeply different methods,in our model we insert fractional time derivatives, i.e. a kind of time-average of the fluid-rocks interactions. Then the delaying effects of fine particles filtration is compared with fractional model time delays. All this can be seen as an empirical check of these fractional models.

Aortic dissection simulation models for clinical support: fluid-structure interaction vs. rigid wall models.

PubMed

Alimohammadi, Mona; Sherwood, Joseph M; Karimpour, Morad; Agu, Obiekezie; Balabani, Stavroula; Díaz-Zuccarini, Vanessa

2015-04-15

The management and prognosis of aortic dissection (AD) is often challenging and the use of personalised computational models is being explored as a tool to improve clinical outcome. Including vessel wall motion in such simulations can provide more realistic and potentially accurate results, but requires significant additional computational resources, as well as expertise. With clinical translation as the final aim, trade-offs between complexity, speed and accuracy are inevitable. The present study explores whether modelling wall motion is worth the additional expense in the case of AD, by carrying out fluid-structure interaction (FSI) simulations based on a sample patient case. Patient-specific anatomical details were extracted from computed tomography images to provide the fluid domain, from which the vessel wall was extrapolated. Two-way fluid-structure interaction simulations were performed, with coupled Windkessel boundary conditions and hyperelastic wall properties. The blood was modelled using the Carreau-Yasuda viscosity model and turbulence was accounted for via a shear stress transport model. A simulation without wall motion (rigid wall) was carried out for comparison purposes. The displacement of the vessel wall was comparable to reports from imaging studies in terms of intimal flap motion and contraction of the true lumen. Analysis of the haemodynamics around the proximal and distal false lumen in the FSI model showed complex flow structures caused by the expansion and contraction of the vessel wall. These flow patterns led to significantly different predictions of wall shear stress, particularly its oscillatory component, which were not captured by the rigid wall model. Through comparison with imaging data, the results of the present study indicate that the fluid-structure interaction methodology employed herein is appropriate for simulations of aortic dissection. Regions of high wall shear stress were not significantly altered by the wall motion, however, certain collocated regions of low and oscillatory wall shear stress which may be critical for disease progression were only identified in the FSI simulation. We conclude that, if patient-tailored simulations of aortic dissection are to be used as an interventional planning tool, then the additional complexity, expertise and computational expense required to model wall motion is indeed justified.

Revisit of the interacting holographic dark energy model after Planck 2015

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

Feng, Lu; Zhang, Xin, E-mail: fengluu@foxmail.com, E-mail: zhangxin@mail.neu.edu.cn

We investigate the observational constraints on the interacting holographic dark energy model. We consider five typical interacting models with the interaction terms Q = 3β H ρ{sub de}, Q = 3β H ρ{sub c}, Q = 3β H (ρ{sub de}+ρ{sub c}), Q = 3β H √ρ{sub de}ρ{sub c}, and Q = 3β H ρ{sub de}ρ {sub c} /ρ{sub de}+ρ{sub c}, respectively, where β is a dimensionless coupling constant. The observational data we use in this paper include the JLA compilation of type Ia supernovae data, the Planck 2015 distance priors data of cosmic microwave background observation, the baryon acoustic oscillationsmore » measurements, and the Hubble constant direct measurement. We make a comparison for these five interacting holographic dark energy models by employing the information criteria, and we find that, within the framework of holographic dark energy, the Q = 3β H ρ{sub de}ρ{sub c}/ρ{sub de}+ρ{sub c} model is most favored by current data, and the Q = 3β H ρ{sub c} model is relatively not favored by current data. For the Q = 3β H ρ{sub de} and Q = 3β H ρ{sub de}ρ{sub c}/ρ{sub de}+ρ{sub c} models, a positive coupling β can be detected at more than 2σ significance.« less

Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives.

PubMed

Romero-Durán, Francisco J; Alonso, Nerea; Yañez, Matilde; Caamaño, Olga; García-Mera, Xerardo; González-Díaz, Humberto

2016-04-01

The use of Cheminformatics tools is gaining importance in the field of translational research from Medicinal Chemistry to Neuropharmacology. In particular, we need it for the analysis of chemical information on large datasets of bioactive compounds. These compounds form large multi-target complex networks (drug-target interactome network) resulting in a very challenging data analysis problem. Artificial Neural Network (ANN) algorithms may help us predict the interactions of drugs and targets in CNS interactome. In this work, we trained different ANN models able to predict a large number of drug-target interactions. These models predict a dataset of thousands of interactions of central nervous system (CNS) drugs characterized by > 30 different experimental measures in >400 different experimental protocols for >150 molecular and cellular targets present in 11 different organisms (including human). The model was able to classify cases of non-interacting vs. interacting drug-target pairs with satisfactory performance. A second aim focus on two main directions: the synthesis and assay of new derivatives of TVP1022 (S-analogues of rasagiline) and the comparison with other rasagiline derivatives recently reported. Finally, we used the best of our models to predict drug-target interactions for the best new synthesized compound against a large number of CNS protein targets. Copyright © 2015 Elsevier Ltd. All rights reserved.

In Silico, Experimental, Mechanistic Model for Extended-Release Felodipine Disposition Exhibiting Complex Absorption and a Highly Variable Food Interaction

PubMed Central

Kim, Sean H. J.; Jackson, Andre J.; Hunt, C. Anthony

2014-01-01

The objective of this study was to develop and explore new, in silico experimental methods for deciphering complex, highly variable absorption and food interaction pharmacokinetics observed for a modified-release drug product. Toward that aim, we constructed an executable software analog of study participants to whom product was administered orally. The analog is an object- and agent-oriented, discrete event system, which consists of grid spaces and event mechanisms that map abstractly to different physiological features and processes. Analog mechanisms were made sufficiently complicated to achieve prespecified similarity criteria. An equation-based gastrointestinal transit model with nonlinear mixed effects analysis provided a standard for comparison. Subject-specific parameterizations enabled each executed analog’s plasma profile to mimic features of the corresponding six individual pairs of subject plasma profiles. All achieved prespecified, quantitative similarity criteria, and outperformed the gastrointestinal transit model estimations. We observed important subject-specific interactions within the simulation and mechanistic differences between the two models. We hypothesize that mechanisms, events, and their causes occurring during simulations had counterparts within the food interaction study: they are working, evolvable, concrete theories of dynamic interactions occurring within individual subjects. The approach presented provides new, experimental strategies for unraveling the mechanistic basis of complex pharmacological interactions and observed variability. PMID:25268237

A coronal magnetic field model with horizontal volume and sheet currents

NASA Technical Reports Server (NTRS)

Zhao, Xuepu; Hoeksema, J. Todd

1994-01-01

When globally mapping the observed photospheric magnetic field into the corona, the interaction of the solar wind and magnetic field has been treated either by imposing source surface boundary conditions that tacitly require volume currents outside the source surface or by limiting the interaction to thin current sheets between oppositely directed field regions. Yet observations and numerical Magnetohydrodynamic (MHD) calculations suggest the presence of non-force-free volume currents throughout the corona as well as thin current sheets in the neighborhoods of the interfaces between closed and open field lines or between oppositely directed open field lines surrounding coronal helmet-streamer structures. This work presents a model including both horizontal volume currents and streamer sheet currents. The present model builds on the magnetostatic equilibria developed by Bogdan and Low and the current-sheet modeling technique developed by Schatten. The calculation uses synoptic charts of the line-of-sight component of the photospheric magnetic field measured at the Wilcox Solar Observatory. Comparison of an MHD model with the calculated model results for the case of a dipole field and comparison of eclipse observations with calculations for CR 1647 (near solar minimum) show that this horizontal current-current-sheet model reproduces polar plumes and axes of corona streamers better than the source-surface model and reproduces polar plumes and axes of corona streamers better than the source-surface model and reproduces coro nal helmet structures better than the current-sheet model.

Microbial Interactions within a Cheese Microbial Community▿ †

PubMed Central

Mounier, Jérôme; Monnet, Christophe; Vallaeys, Tatiana; Arditi, Roger; Sarthou, Anne-Sophie; Hélias, Arnaud; Irlinger, Françoise

2008-01-01

The interactions that occur during the ripening of smear cheeses are not well understood. Yeast-yeast interactions and yeast-bacterium interactions were investigated within a microbial community composed of three yeasts and six bacteria found in cheese. The growth dynamics of this community was precisely described during the ripening of a model cheese, and the Lotka-Volterra model was used to evaluate species interactions. Subsequently, the effects on ecosystem functioning of yeast omissions in the microbial community were evaluated. It was found both in the Lotka-Volterra model and in the omission study that negative interactions occurred between yeasts. Yarrowia lipolytica inhibited mycelial expansion of Geotrichum candidum, whereas Y. lipolytica and G. candidum inhibited Debaryomyces hansenii cell viability during the stationary phase. However, the mechanisms involved in these interactions remain unclear. It was also shown that yeast-bacterium interactions played a significant role in the establishment of this multispecies ecosystem on the cheese surface. Yeasts were key species in bacterial development, but their influences on the bacteria differed. It appeared that the growth of Arthrobacter arilaitensis or Hafnia alvei relied less on a specific yeast function because these species dominated the bacterial flora, regardless of which yeasts were present in the ecosystem. For other bacteria, such as Leucobacter sp. or Brevibacterium aurantiacum, growth relied on a specific yeast, i.e., G. candidum. Furthermore, B. aurantiacum, Corynebacterium casei, and Staphylococcus xylosus showed reduced colonization capacities in comparison with the other bacteria in this model cheese. Bacterium-bacterium interactions could not be clearly identified. PMID:17981942

Vehicle - Bridge interaction, comparison of two computing models

NASA Astrophysics Data System (ADS)

Melcer, Jozef; Kuchárová, Daniela

2017-07-01

The paper presents the calculation of the bridge response on the effect of moving vehicle moves along the bridge with various velocities. The multi-body plane computing model of vehicle is adopted. The bridge computing models are created in two variants. One computing model represents the bridge as the Bernoulli-Euler beam with continuously distributed mass and the second one represents the bridge as the lumped mass model with 1 degrees of freedom. The mid-span bridge dynamic deflections are calculated for both computing models. The results are mutually compared and quantitative evaluated.

Simulation of hypersonic shock wave - laminar boundary layer interactions

NASA Astrophysics Data System (ADS)

Kianvashrad, N.; Knight, D.

2017-06-01

The capability of the Navier-Stokes equations with a perfect gas model for simulation of hypersonic shock wave - laminar boundary layer interactions is assessed. The configuration is a hollow cylinder flare. The experimental data were obtained by Calspan-University of Buffalo (CUBRC) for total enthalpies ranging from 5.07 to 21.85 MJ/kg. Comparison of the computed and experimental surface pressure and heat transfer is performed and the computed §ow¦eld structure is analyzed.

Estimating Latent Variable Interactions With Non-Normal Observed Data: A Comparison of Four Approaches

PubMed Central

Cham, Heining; West, Stephen G.; Ma, Yue; Aiken, Leona S.

2012-01-01

A Monte Carlo simulation was conducted to investigate the robustness of four latent variable interaction modeling approaches (Constrained Product Indicator [CPI], Generalized Appended Product Indicator [GAPI], Unconstrained Product Indicator [UPI], and Latent Moderated Structural Equations [LMS]) under high degrees of non-normality of the observed exogenous variables. Results showed that the CPI and LMS approaches yielded biased estimates of the interaction effect when the exogenous variables were highly non-normal. When the violation of non-normality was not severe (normal; symmetric with excess kurtosis < 1), the LMS approach yielded the most efficient estimates of the latent interaction effect with the highest statistical power. In highly non-normal conditions, the GAPI and UPI approaches with ML estimation yielded unbiased latent interaction effect estimates, with acceptable actual Type-I error rates for both the Wald and likelihood ratio tests of interaction effect at N ≥ 500. An empirical example illustrated the use of the four approaches in testing a latent variable interaction between academic self-efficacy and positive family role models in the prediction of academic performance. PMID:23457417

Effect of reaction control system jet-flow field interactions on a 0.015 scale model space shuttle orbiter aerodynamic characteristics

NASA Technical Reports Server (NTRS)

Monta, W. J.; Rausch, J. R.

1973-01-01

The effects of the reaction control system (RCS) jet-flow field interactions on the space shuttle orbiter system during entry are discussed. The primary objective of the test program was to obtain data for the shuttle orbiter configuration to determine control amplification factors resulting from jet interaction between the RCS plumes and the external flow over the vehicle. A secondary objective was to provide data for comparison and improvement of analytic jet interaction prediction techniques. The test program was divided into two phases; (1) force and moment measurements were made with and without RCS blowing, investigating environment parameters (R sub e, Alpha, Beta), RCS plume parameters (Jet pressure ratio, momentum ratio and thrust level), and geometry parameters (RCS pod locations) on the orbiter model, (2) oil flow visualization tests were conducted on a dummy balance at the end of the test.

Modular analysis of the probabilistic genetic interaction network.

PubMed

Hou, Lin; Wang, Lin; Qian, Minping; Li, Dong; Tang, Chao; Zhu, Yunping; Deng, Minghua; Li, Fangting

2011-03-15

Epistatic Miniarray Profiles (EMAP) has enabled the mapping of large-scale genetic interaction networks; however, the quantitative information gained from EMAP cannot be fully exploited since the data are usually interpreted as a discrete network based on an arbitrary hard threshold. To address such limitations, we adopted a mixture modeling procedure to construct a probabilistic genetic interaction network and then implemented a Bayesian approach to identify densely interacting modules in the probabilistic network. Mixture modeling has been demonstrated as an effective soft-threshold technique of EMAP measures. The Bayesian approach was applied to an EMAP dataset studying the early secretory pathway in Saccharomyces cerevisiae. Twenty-seven modules were identified, and 14 of those were enriched by gold standard functional gene sets. We also conducted a detailed comparison with state-of-the-art algorithms, hierarchical cluster and Markov clustering. The experimental results show that the Bayesian approach outperforms others in efficiently recovering biologically significant modules.

2nd-order optical model of the isotopic dependence of heavy ion absorption cross sections for radiation transport studies

NASA Astrophysics Data System (ADS)

Cucinotta, Francis A.; Yan, Congchong; Saganti, Premkumar B.

2018-01-01

Heavy ion absorption cross sections play an important role in radiation transport codes used in risk assessment and for shielding studies of galactic cosmic ray (GCR) exposures. Due to the GCR primary nuclei composition and nuclear fragmentation leading to secondary nuclei heavy ions of charge number, Z with 3 ≤ Z ≥ 28 and mass numbers, A with 6 ≤ A ≥ 60 representing about 190 isotopes occur in GCR transport calculations. In this report we describe methods for developing a data-base of isotopic dependent heavy ion absorption cross sections for interactions. Calculations of a 2nd-order optical model solution to coupled-channel solutions to the Eikonal form of the nucleus-nucleus scattering amplitude are compared to 1st-order optical model solutions. The 2nd-order model takes into account two-body correlations in the projectile and target ground-states, which are ignored in the 1st-order optical model. Parameter free predictions are described using one-body and two-body ground state form factors for the isotopes considered and the free nucleon-nucleon scattering amplitude. Root mean square (RMS) matter radii for protons and neutrons are taken from electron and muon scattering data and nuclear structure models. We report on extensive comparisons to experimental data for energy-dependent absorption cross sections for over 100 isotopes of elements from Li to Fe interacting with carbon and aluminum targets. Agreement between model and experiments are generally within 10% for the 1st-order optical model and improved to less than 5% in the 2nd-order optical model in the majority of comparisons. Overall the 2nd-order optical model leads to a reduction in absorption compared to the 1st-order optical model for heavy ion interactions, which influences estimates of nuclear matter radii.

Sensitivity of Simulated Warm Rain Formation to Collision and Coalescence Efficiencies, Breakup, and Turbulence: Comparison of Two Bin-Resolved Numerical Models

NASA Technical Reports Server (NTRS)

Fridlind, Ann; Seifert, Axel; Ackerman, Andrew; Jensen, Eric

2004-01-01

Numerical models that resolve cloud particles into discrete mass size distributions on an Eulerian grid provide a uniquely powerful means of studying the closely coupled interaction of aerosols, cloud microphysics, and transport that determine cloud properties and evolution. However, such models require many experimentally derived paramaterizations in order to properly represent the complex interactions of droplets within turbulent flow. Many of these parameterizations remain poorly quantified, and the numerical methods of solving the equations for temporal evolution of the mass size distribution can also vary considerably in terms of efficiency and accuracy. In this work, we compare results from two size-resolved microphysics models that employ various widely-used parameterizations and numerical solution methods for several aspects of stochastic collection.

Interactive comparison and remediation of collections of macromolecular structures.

PubMed

Moriarty, Nigel W; Liebschner, Dorothee; Klei, Herbert E; Echols, Nathaniel; Afonine, Pavel V; Headd, Jeffrey J; Poon, Billy K; Adams, Paul D

2018-01-01

Often similar structures need to be compared to reveal local differences throughout the entire model or between related copies within the model. Therefore, a program to compare multiple structures and enable correction any differences not supported by the density map was written within the Phenix framework (Adams et al., Acta Cryst 2010; D66:213-221). This program, called Structure Comparison, can also be used for structures with multiple copies of the same protein chain in the asymmetric unit, that is, as a result of non-crystallographic symmetry (NCS). Structure Comparison was designed to interface with Coot(Emsley et al., Acta Cryst 2010; D66:486-501) and PyMOL(DeLano, PyMOL 0.99; 2002) to facilitate comparison of large numbers of related structures. Structure Comparison analyzes collections of protein structures using several metrics, such as the rotamer conformation of equivalent residues, displays the results in tabular form and allows superimposed protein chains and density maps to be quickly inspected and edited (via the tools in Coot) for consistency, completeness and correctness. © 2017 The Protein Society.

Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

NASA Technical Reports Server (NTRS)

Hedahl, Marc O.; Wilmoth, Richard G.

1995-01-01

The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

Model of Anisotropic Magnetization of In(1-x)Mn(x)S: Comparison to Experiment

NASA Astrophysics Data System (ADS)

Garner, J.; Franzese, G.; Byrd, Ashlee; Pekarek, T. M.; Miotkowski, I.; Ramdas, A. K.

2004-03-01

Calculations of and experimental results for the anisotropic magnetization of the new III-VI dilute magnetic semiconductor, In(1-x)Mn(x)S, are presented. The model Hamiltonian incorporates the interaction of the incomplete shell of Mn 3d-electrons with the crystal lattice within the point-ion approximation. Other terms in the Hamiltonian include the Zeeman interaction, the spin-orbit and the spin-spin terms. It is assumed the Mn atoms do not interact with each other (this is the singlet model, which is appropriate when x is small, here 2%). The temperature- and field- dependent magnetization is found from the energy eigenvalues of the Hamiltonian matrix, which was expressed in terms of an uncoupled angular momentum basis set. Magnetization versus temperature results are found for several field values, B, pointing along various directions relative to the underlying dilute magnetic semiconductor crystal lattice. In addition, the magnetization versus field is computed for several fixed temperatures and for various B-field directions and magnitudes. Overall, the agreement of this simple model with the experimental data is very good except at low temperatures (< 20 K) and high fields (> a few Tesla). It would be useful for quantitative comparison purposes to have optical absorption data in order to better fix the crystal potential parameters that are input parameters in the theory. In addition, the model could be improved by going beyond the point-ion approximation to better model the covalent bonds in the crystal.* Supported by UNF Research Grants, Research Corporation Award, CC4845, NSF Grant Nos. DMR-03-05653, DMR-01-02699, and ECS-01-29853 and Donors of the American Chemical Society Petroleum Research Fund PRF#40209-B5M, and a Purdue Univ. Academic Reimbursement Grant.

Pulsational Pair-instability Model for Superluminous Supernova PTF12dam:Interaction and Radioactive Decay

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

Tolstov, Alexey; Nomoto, Ken’ichi; Blinnikov, Sergei

2017-02-01

Being a superluminous supernova, PTF12dam can be explained by a {sup 56}Ni-powered model, a magnetar-powered model, or an interaction model. We propose that PTF12dam is a pulsational pair-instability supernova, where the outer envelope of a progenitor is ejected during the pulsations. Thus, it is powered by a double energy source: radioactive decay of {sup 56}Ni and a radiative shock in a dense circumstellar medium. To describe multicolor light curves and spectra, we use radiation-hydrodynamics calculations of the STELLA code. We found that light curves are well described in the model with 40 M {sub ⊙} ejecta and 20–40 M {submore » ⊙} circumstellar medium. The ejected {sup 56}Ni mass is about 6 M {sub ⊙}, which results from explosive nucleosynthesis with large explosion energy (2–3)×10{sup 52} erg. In comparison with alternative scenarios of pair-instability supernova and magnetar-powered supernova, in the interaction model, all the observed main photometric characteristics are well reproduced: multicolor light curves, color temperatures, and photospheric velocities.« less

Calculated wind noise for an infrasonic wind noise enclosure.

PubMed

Abbott, JohnPaul; Raspet, Richard

2015-07-01

A simple calculation of the wind noise measured at the center of a large porous wind fence enclosure is developed. The calculation provides a good model of the measured wind noise, with a good agreement within ±5 dB, and is derived by combining the wind noise contributions from (a) the turbulence-turbulence and turbulence-shear interactions inside the enclosure, (b) the turbulence interactions on the surface of the enclosure, and (c) the turbulence-shear interactions outside of the enclosure. Each wind noise contribution is calculated from the appropriate measured turbulence spectra, velocity profiles, correlation lengths, and the mean velocity at the center, surface, and outside of the enclosure. The model is verified by comparisons of the measured wind noise to the calculated estimates of the differing noise contributions and their sum.

Measurement of meson resonance production in $$\\pi ^- + C$$ interactions at SPS energies: The NA61/SHINE Collaboration

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

Aduszkiewicz, A.; Ali, Y.; Andronov, E. V.

Here, we present measurements ofmore » $$\\rho^0$$, $$\\omega$$ and K$$^{*0}$$ spectra in $$\\pi^{-} + $$C production interactions at 158 GeV/c and $$\\rho^0$$ spectra at 350 GeV/c using the NA61/SHINE spectrometer at the CERN SPS. Spectra are presented as a function of the Feynman's variable $$x_\\text{F}$$ in the range $$0 < x_\\text{F} < 1$$ and $$0 < x_\\text{F} < 0.5$$ for 158 GeV/c and 350 GeV/c respectively. Furthermore, we show comparisons with previous measurements and predictions of several hadronic interaction models. Our measurements are essential for a better understanding of hadronic shower development and for improving the modeling of cosmic ray air showers.« less

Dynamic analysis of the American Maglev system. Final report

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

Seda-Sanabria, Y.; Ray, J.C.

1996-06-01

Understanding the dynamic interaction between a magnetic levitated (Maglev) vehicle and its supporting guideway is essential in the evaluation of the performance of such a system. This interacting coupling, known as vehicle/guideway interaction (VGI), has a significant effect on system parameters such as the required magnetic suspension forces and gaps, vehicular ride quality, and guideway deflections and stresses. This report presents the VGI analyses conducted on an actual Maglev system concept definition (SCD), the American Maglev SCD, using a linear-elastic finite-element (FE) model. Particular interest was focused on the comparison of the ride quality of the vehicle, using two differentmore » suspension systems, and their effect on the guideway structure. The procedure and necessary assumptions in the modeling are discussed.« less

Measurement of meson resonance production in $$\\pi ^- + C$$ interactions at SPS energies: The NA61/SHINE Collaboration

DOE PAGES

Aduszkiewicz, A.; Ali, Y.; Andronov, E. V.; ...

2017-09-20

Here, we present measurements ofmore » $$\\rho^0$$, $$\\omega$$ and K$$^{*0}$$ spectra in $$\\pi^{-} + $$C production interactions at 158 GeV/c and $$\\rho^0$$ spectra at 350 GeV/c using the NA61/SHINE spectrometer at the CERN SPS. Spectra are presented as a function of the Feynman's variable $$x_\\text{F}$$ in the range $$0 < x_\\text{F} < 1$$ and $$0 < x_\\text{F} < 0.5$$ for 158 GeV/c and 350 GeV/c respectively. Furthermore, we show comparisons with previous measurements and predictions of several hadronic interaction models. Our measurements are essential for a better understanding of hadronic shower development and for improving the modeling of cosmic ray air showers.« less

Role of suprathermal electrons during nanosecond laser energy deposit in fused silica

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

Grua, P.; Hébert, D.; Lamaignère, L.

2014-08-25

An accurate description of interaction between a nanosecond laser pulse and a wide band gap dielectric, such as fused silica, requires the understanding of energy deposit induced by temperature changes occurring in the material. In order to identify the fundamental processes involved in laser-matter interaction, we have used a 1D computational model that allows us to describe a wide set of physical mechanisms and intended for comparison with specially designed “1D experiments.” We have pointed out that suprathermal electrons are very likely implicated in heat conduction, and this assumption has allowed the model to reproduce the experiments.

Protons from carbon ion fragmentation at 0.3–2.0 GeV/nucleon: Comparison with models of ion-ion interactions

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

Abramov, B. M.; Alekseev, P. N.; Borodin, Yu. A.

2015-05-15

Yields of protons at 3.5° from carbon ion fragmentation at energies of T{sub 0} = 0.3, 0.6, 0.95, and 2.0 GeV/nucleon on a Be target were measured in the FRAGM experiment at TWA-ITEP heavy-ion facility. Proton momentum spectra cover both the region of the fragmentation maximum and the cumulative region. The differential cross sections span six orders of its magnitude. The spectra are compared with the predictions of four models of ion-ion interactions: LAQGSM03.03, SHIELD-HIT, QMD, and BC.

They know the words, but not the music: affective and semantic priming in individuals with psychopathy.

PubMed

Blair, K S; Richell, R A; Mitchell, D G V; Leonard, A; Morton, J; Blair, R J R

2006-08-01

Previous work has indicated dysfunctional affect-language interactions in individuals with psychopathy through use of the lexical decision task. However, it has been uncertain as to whether these deficits actually reflect impaired affect-language interactions or a more fundamental deficit in general semantic processing. In this study, we examined affective priming and semantic priming (dependent measures were reaction times and error rates) in individuals with psychopathy and comparison individuals, classified according to the psychopathy checklist revised (PCL-R) [Hare, R.D., 1991. The Hare Psychopathy Checklist-Revised. Multi-Health Systems, Toronto, Ont] Individuals with psychopathy showed significantly less affective priming relative to comparison individuals. In contrast, the two groups showed comparable levels of semantic priming. The results are discussed with reference to current models of psychopathy.

Daily Couple Experiences and Parent Affect in Families of Children with versus without Autism

PubMed Central

Hartley, Sigan L.; DaWalt, Leann Smith; Schultz, Haley M.

2017-01-01

We examined daily couple experiences in 174 couples who had a child with autism spectrum disorder (ASD) relative to 179 couples who had a child without disabilities and their same-day association with parent affect. Parents completed a 14-day daily diary in which they reported time with partner, partner support, partner closeness, and positive and negative couple interactions and level of positive and negative affect. One-way multivariate analyses of covariance and dyadic multilevel models were conducted. Parents of children with ASD reported less time with partner, lower partner closeness, and fewer positive couple interactions than the comparison group. Daily couple experiences were more strongly associated with parent affect in the ASD than comparison group. Findings have implications for programs and supports. PMID:28275928

Effect of wake structure on blade-vortex interaction phenomena: Acoustic prediction and validation

NASA Technical Reports Server (NTRS)

Gallman, Judith M.; Tung, Chee; Schultz, Klaus J.; Splettstoesser, Wolf; Buchholz, Heino

1995-01-01

During the Higher Harmonic Control Aeroacoustic Rotor Test, extensive measurements of the rotor aerodynamics, the far-field acoustics, the wake geometry, and the blade motion for powered, descent, flight conditions were made. These measurements have been used to validate and improve the prediction of blade-vortex interaction (BVI) noise. The improvements made to the BVI modeling after the evaluation of the test data are discussed. The effects of these improvements on the acoustic-pressure predictions are shown. These improvements include restructuring the wake, modifying the core size, incorporating the measured blade motion into the calculations, and attempting to improve the dynamic blade response. A comparison of four different implementations of the Ffowcs Williams and Hawkings equation is presented. A common set of aerodynamic input has been used for this comparison.

Daily Couple Experiences and Parent Affect in Families of Children with Versus Without Autism.

PubMed

Hartley, Sigan L; DaWalt, Leann Smith; Schultz, Haley M

2017-06-01

We examined daily couple experiences in 174 couples who had a child with autism spectrum disorder (ASD) relative to 179 couples who had a child without disabilities and their same-day association with parent affect. Parents completed a 14-day daily diary in which they reported time with partner, partner support, partner closeness, and positive and negative couple interactions and level of positive and negative affect. One-way multivariate analyses of covariance and dyadic multilevel models were conducted. Parents of children with ASD reported less time with partner, lower partner closeness, and fewer positive couple interactions than the comparison group. Daily couple experiences were more strongly associated with parent affect in the ASD than comparison group. Findings have implications for programs and supports.

Modeling donor/acceptor interactions: Combined roles of theory and computation

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

Newton, M.D.

2000-03-05

An extended superexchange model for electron transfer (ET) matrix elements (H{sub DA}) has been formulated as a superposition of McConnell-type pathways and implemented by combined use of configuration interaction wave functions (obtained using the INDO/s model of Zerner and co-workers) and the generalized Muliken-Hush formulation of charge-localized diabatic states. Applications are made for et (and hold transfer) in several donor/bridge/acceptor radical anion (and cation) systems, (DBA){sup {+-}}, allowing detailed comparison with experimental H{sub DA} estimates. For the case of oligo phenylene ethynylene (OPE) bridges, the role of {pi} and {sigma} electronic manifolds for different distributions of phenylene torsion angles ismore » analyzed in detail.« less

Equivalence of the O( n) vector ferromagnetic and antiferromagnetic models

NASA Astrophysics Data System (ADS)

Sousa, J. Ricardo de

The effective-field renormalization group (EFRG) approach is used to find the Néel temperature ( TN) of the O( n) vector model with antiferromagnetic (AF) interaction. The EFRG method is illustrated by employing approximations in which clusters with one ( N‧=1) and two ( N=2) spins are used. The critical temperature TN is obtained as a function of component ( n) and coordination ( z) numbers. For all values of n and z we show that TN= Tc, where Tc is the Curie temperature for the ferromagnetic (F) case. As a comparison, the results of the quantum Heisenberg model ( n=3) with F and AF interactions are also presented, and we find that TN> Tc, which is different from the classical result Tc= TN.

Part 1: Classical laser. Part 2: The effect of velocity changing collisions on the output of a gas laser. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Borenstein, M.

1972-01-01

A classical model for laser action is discussed, in which an active medium consisting of anharmonic oscillators interacts with an electromagnetic field in a resonant cavity. Comparison with the case of a medium consisting of harmonic oscillators shows the significance of nonlinearities for producing self-sustained oscillations in the radiation field. A theoretical model is presented for the pressure dependence of the intensity of a gas laser, in which only velocity-changing collisions with foreign gas atoms are included. A collision model for hard sphere, repulsive interactions was derived. Collision theory was applied to a third-order expansion of the polarization in powers of the cavity electric field (weak signal theory).

Comparing species interaction networks along environmental gradients.

PubMed

Pellissier, Loïc; Albouy, Camille; Bascompte, Jordi; Farwig, Nina; Graham, Catherine; Loreau, Michel; Maglianesi, Maria Alejandra; Melián, Carlos J; Pitteloud, Camille; Roslin, Tomas; Rohr, Rudolf; Saavedra, Serguei; Thuiller, Wilfried; Woodward, Guy; Zimmermann, Niklaus E; Gravel, Dominique

2018-05-01

Knowledge of species composition and their interactions, in the form of interaction networks, is required to understand processes shaping their distribution over time and space. As such, comparing ecological networks along environmental gradients represents a promising new research avenue to understand the organization of life. Variation in the position and intensity of links within networks along environmental gradients may be driven by turnover in species composition, by variation in species abundances and by abiotic influences on species interactions. While investigating changes in species composition has a long tradition, so far only a limited number of studies have examined changes in species interactions between networks, often with differing approaches. Here, we review studies investigating variation in network structures along environmental gradients, highlighting how methodological decisions about standardization can influence their conclusions. Due to their complexity, variation among ecological networks is frequently studied using properties that summarize the distribution or topology of interactions such as number of links, connectance, or modularity. These properties can either be compared directly or using a procedure of standardization. While measures of network structure can be directly related to changes along environmental gradients, standardization is frequently used to facilitate interpretation of variation in network properties by controlling for some co-variables, or via null models. Null models allow comparing the deviation of empirical networks from random expectations and are expected to provide a more mechanistic understanding of the factors shaping ecological networks when they are coupled with functional traits. As an illustration, we compare approaches to quantify the role of trait matching in driving the structure of plant-hummingbird mutualistic networks, i.e. a direct comparison, standardized by null models and hypothesis-based metaweb. Overall, our analysis warns against a comparison of studies that rely on distinct forms of standardization, as they are likely to highlight different signals. Fostering a better understanding of the analytical tools available and the signal they detect will help produce deeper insights into how and why ecological networks vary along environmental gradients. © 2017 Cambridge Philosophical Society.

Framework for scalable adsorbate–adsorbate interaction models

DOE PAGES

Hoffmann, Max J.; Medford, Andrew J.; Bligaard, Thomas

2016-06-02

Here, we present a framework for physically motivated models of adsorbate–adsorbate interaction between small molecules on transition and coinage metals based on modifications to the substrate electronic structure due to adsorption. We use this framework to develop one model for transition and one for coinage metal surfaces. The models for transition metals are based on the d-band center position, and the models for coinage metals are based on partial charges. The models require no empirical parameters, only two first-principles calculations per adsorbate as input, and therefore scale linearly with the number of reaction intermediates. By theory to theory comparison withmore » explicit density functional theory calculations over a wide range of adsorbates and surfaces, we show that the root-mean-squared error for differential adsorption energies is less than 0.2 eV for up to 1 ML coverage.« less

Land Ice Verification and Validation Kit

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

2015-07-15

To address a pressing need to better understand the behavior and complex interaction of ice sheets within the global Earth system, significant development of continental-scale, dynamical ice-sheet models is underway. The associated verification and validation process of these models is being coordinated through a new, robust, python-based extensible software package, the Land Ice Verification and Validation toolkit (LIVV). This release provides robust and automated verification and a performance evaluation on LCF platforms. The performance V&V involves a comprehensive comparison of model performance relative to expected behavior on a given computing platform. LIVV operates on a set of benchmark and testmore » data, and provides comparisons for a suite of community prioritized tests, including configuration and parameter variations, bit-4-bit evaluation, and plots of tests where differences occur.« less

Comparison between microwave coherent and incoherent scattering models for wetland vegetation in Poyang Lake area

NASA Astrophysics Data System (ADS)

Xu, Tao; Liao, Jingjuan

2014-11-01

In order to reveal more deeply the scattering characteristics of wetland vegetation and determine the microwave scattering model suitable for the inversion of wetland vegetation parameters, the comparison and analysis between microwave coherent and incoherent scattering models for wetland vegetation in Poyang Lake area were performed in this paper. In the research, we proposed a coherent scattering model exclusive for wetland vegetation, in which, Generalized Rayleigh-Gans (GRG) approach and infinite-length dielectric cylinder were used to calculate single-scattering matrices of wetland vegetation leaves and stalks. In addition, coherent components produced from interaction among the scattering mechanisms and different scatterers were also considered and this coherent model was compared with Michigan Microwave Canopy Scattering (MIMICS) model. The measured data collected in 2011 in Poyang Lake wetland were used as the input parameters of the coherent and incoherent models. We simulated backscattering coefficients of VV, VH and HH polarization at C band and made a comparison between the simulation results and C-band data from the Radarsat-2 satellite. For both coherent and incoherent scattering model, simulation results for HH and VV polarization were better than the simulation results for HV polarization. In addition, comparisons between coherent and incoherent scattering models proved that the coherence triggered by the scattering mechanism and different scatterers can't be ignored. In the research, we analyzed differences between coherent and incoherent scattering models with change of incident angle. In most instances, the difference between coherent and incoherent scattering models is of the order of several dB.

Comparison of process-based models to quantify nutrient flows and greenhouse gas emissions of milk production

USDA-ARS?s Scientific Manuscript database

Assessing and improving the sustainability of dairy production systems is essential to secure future food production. This requires a holistic approach that reveals trade-offs between emissions of the different greenhouse gases (GHG) and nutrient-based pollutants and ensures that interactions betwee...

Geant4 models for simulation of hadron/ion nuclear interactions at moderate and low energies.

NASA Astrophysics Data System (ADS)

Ivantchenko, Anton; Ivanchenko, Vladimir; Quesada, Jose-Manuel; Wright, Dennis

The Geant4 toolkit is intended for Monte Carlo simulation of particle transport in media. It was initially designed for High Energy Physics purposes such as experiments at the Large Hadron Collider (LHC) at CERN. The toolkit offers a set of models allowing effective simulation of cosmic ray interactions with different materials. For moderate and low energy hadron/ion interactions with nuclei there are a number of competitive models: Binary and Bertini intra-nuclear cascade models, quantum molecular dynamic model (QMD), INCL/ABLA cascade model, and Chiral Invariant Phase Space Decay model (CHIPS). We report the status of these models for the recent version of Geant4 (release 9.3, December 2009). The Bertini cascade in-ternal cross sections were upgraded. The native Geant4 precompound and deexcitation models were used in the Binary cascade and QMD. They were significantly improved including emis-sion of light fragments, the Fermi break-up model, the General Evaporation Model (GEM), the multi-fragmentation model, and the fission model. Comparisons between model predictions and data for thin target experiments for neutron, proton, light ions, and isotope production are presented and discussed. The focus of these validations is concentrated on target materials important for space missions.

Biodiversity and the Lotka-Volterra theory of species interactions: open systems and the distribution of logarithmic densities.

PubMed Central

Wilson, William G.; Lundberg, Per

2004-01-01

Theoretical interest in the distributions of species abundances observed in ecological communities has focused recently on the results of models that assume all species are identical in their interactions with one another, and rely upon immigration and speciation to promote coexistence. Here we examine a one-trophic level system with generalized species interactions, including species-specific intraspecific and interspecific interaction strengths, and density-independent immigration from a regional species pool. Comparisons between results from numerical integrations and an approximate analytic calculation for random communities demonstrate good agreement, and both approaches yield abundance distributions of nearly arbitrary shape, including bimodality for intermediate immigration rates. PMID:15347523

Biodiversity and the Lotka-Volterra theory of species interactions: open systems and the distribution of logarithmic densities.

PubMed

Wilson, William G; Lundberg, Per

2004-09-22

Theoretical interest in the distributions of species abundances observed in ecological communities has focused recently on the results of models that assume all species are identical in their interactions with one another, and rely upon immigration and speciation to promote coexistence. Here we examine a one-trophic level system with generalized species interactions, including species-specific intraspecific and interspecific interaction strengths, and density-independent immigration from a regional species pool. Comparisons between results from numerical integrations and an approximate analytic calculation for random communities demonstrate good agreement, and both approaches yield abundance distributions of nearly arbitrary shape, including bimodality for intermediate immigration rates.

Comparison of the CME-associated shock arrival times at the earth using the WSA-ENLIL model with three cone models

NASA Astrophysics Data System (ADS)

Jang, S.; Moon, Y.; Na, H.

2012-12-01

We have made a comparison of CME-associated shock arrival times at the earth based on the WSA-ENLIL model with three cone models using 29 halo CMEs from 2001 to 2002. These halo CMEs have cone model parameters from Michalek et al. (2007) as well as their associated interplanetary (IP) shocks. For this study we consider three different cone models (an asymmetric cone model, an ice-cream cone model and an elliptical cone model) to determine CME cone parameters (radial velocity, angular width and source location), which are used for input parameters of the WSA-ENLIL model. The mean absolute error (MAE) of the arrival times for the elliptical cone model is 10 hours, which is about 2 hours smaller than those of the other models. However, this value is still larger than that (8.7 hours) of an empirical model by Kim et al. (2007). We are investigating several possibilities on relatively large errors of the WSA-ENLIL cone model, which may be caused by CME-CME interaction, background solar wind speed, and/or CME density enhancement.

Photoluminescence kinetics slowdown in an ensemble of GaN/AlN quantum dots upon tunneling interaction with defects

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

Aleksandrov, I. A., E-mail: Aleksandrov@isp.nsc.ru; Mansurov, V. G.; Zhuravlev, K. S.

2016-08-15

The carrier recombination dynamics in an ensemble of GaN/AlN quantum dots is studied. The model proposed for describing this dynamics takes into account the transition of carriers between quantum dots and defects in a matrix. Comparison of the experimental and calculated photoluminescence decay curves shows that the interaction between quantum dots and defects slows down photoluminescence decay in the ensemble of GaN/AlN quantum dots.

Three-dimensional viscous rotor flow calculations using a viscous-inviscid interaction approach

NASA Technical Reports Server (NTRS)

Chen, Ching S.; Bridgeman, John O.

1990-01-01

A three-dimensional viscous-inviscid interaction analysis was developed to predict the performance of rotors in hover and in forward flight at subsonic and transonic tip speeds. The analysis solves the full-potential and boundary-layer equations by finite-difference numerical procedures. Calculations were made for several different model rotor configurations. The results were compared with predictions from a two-dimensional integral method and with experimental data. The comparisons show good agreement between predictions and test data.

Assessing NARCCAP climate model effects using spatial confidence regions.

PubMed

French, Joshua P; McGinnis, Seth; Schwartzman, Armin

2017-01-01

We assess similarities and differences between model effects for the North American Regional Climate Change Assessment Program (NARCCAP) climate models using varying classes of linear regression models. Specifically, we consider how the average temperature effect differs for the various global and regional climate model combinations, including assessment of possible interaction between the effects of global and regional climate models. We use both pointwise and simultaneous inference procedures to identify regions where global and regional climate model effects differ. We also show conclusively that results from pointwise inference are misleading, and that accounting for multiple comparisons is important for making proper inference.

Effects of variation in solar conditions and crustal sources' orientation on the Martian magnetic field topology

NASA Astrophysics Data System (ADS)

Ulusen, D.; Luhmann, J. G.; Ma, Y.; Brain, D. A.

2013-12-01

Strong crustal magnetic sources on the surface of Mars directly interact with the solar magnetic field and plasma, resulting a very dynamic environment near the planet. Effects of the orientation of these remnant magnetic sources with respect to the sun and variation of the solar conditions on the Martian plasma interaction have been investigated in a previous paper. In this previous study, magnetic topology maps obtained from ~7 years of Mars Global Surveyor (MGS) directional electron observations (obtained by Dave Brain) were compared with the topology maps obtained from a set of BATS-R-US MHD simulations for Mars. One conclusion from this study was that although the MHD model is consistent with the data and provides insight about the global magnetic field topology variation with changing crustal field orientation and solar parameters, detailed investigation of local effects is difficult due to MGS orbital bias. Moreover, proper comparison of the observations with the model requires more careful data selection rather than using 7 years time averages. In this paper, we readdress the study to tackle the problems of our previous work by performing more detailed data analysis and present the results of the updated model-data comparison.

Evaluation of electrolytic tilt sensors for measuring model angle of attack in wind tunnel tests

NASA Technical Reports Server (NTRS)

Wong, Douglas T.

1992-01-01

The results of a laboratory evaluation of electrolytic tilt sensors as potential candidates for measuring model attitude or angle of attack in wind tunnel tests are presented. The performance of eight electrolytic tilt sensors was compared with that of typical servo accelerometers used for angle-of-attack measurements. The areas evaluated included linearity, hysteresis, repeatability, temperature characteristics, roll-on-pitch interaction, sensitivity to lead-wire resistance, step response time, and rectification. Among the sensors being evaluated, the Spectron model RG-37 electrolytic tilt sensors have the highest overall accuracy in terms of linearity, hysteresis, repeatability, temperature sensitivity, and roll sensitivity. A comparison of the sensors with the servo accelerometers revealed that the accuracy of the RG-37 sensors was on the average about one order of magnitude worse. Even though a comparison indicates that the cost of each tilt sensor is about one-third the cost of each servo accelerometer, the sensors are considered unsuitable for angle-of-attack measurements. However, the potential exists for other applications such as wind tunnel wall-attitude measurements where the errors resulting from roll interaction, vibration, and response time are less and sensor temperature can be controlled.

ATLOG Modeling of Aerial Cable from the November 2016 HERMES Electromagnetic Pulse Experiments

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

campione, salvatore; Warne, Larry K.; Yee, Benjamin Tong

2017-09-01

This report details the comparison of ATLOG modeling results for the response of a finite-length dissipative aerial conductor interacting with a conducting ground to a measurement taken November 2016 at the High-Energy Radiation Megavolt Electron Source (HERMES) facility. We use the ATLOG time-domain method based on transmission line theory. Good agreement is observed between simulations and experiments. Intentionally Left Blank

A Comparison of the Effects of Video Modeling Other and Peer-Implemented Pivotal Response Training to Video Modeling Other on Positive Social Interactions of Young Children with Developmental Disabilities

ERIC Educational Resources Information Center

Kucskar, Maryssa

2017-01-01

Young children with developmental disabilities (DD) frequently have delays in social play skills. Students with DD may require social skills instruction in order to be successful in playing cooperatively with others. These opportunities to practice social play skills learned from specialized interventions must be available throughout the school…

Evaluating differential effects using regression interactions and regression mixture models

PubMed Central

Van Horn, M. Lee; Jaki, Thomas; Masyn, Katherine; Howe, George; Feaster, Daniel J.; Lamont, Andrea E.; George, Melissa R. W.; Kim, Minjung

2015-01-01

Research increasingly emphasizes understanding differential effects. This paper focuses on understanding regression mixture models, a relatively new statistical methods for assessing differential effects by comparing results to using an interactive term in linear regression. The research questions which each model answers, their formulation, and their assumptions are compared using Monte Carlo simulations and real data analysis. The capabilities of regression mixture models are described and specific issues to be addressed when conducting regression mixtures are proposed. The paper aims to clarify the role that regression mixtures can take in the estimation of differential effects and increase awareness of the benefits and potential pitfalls of this approach. Regression mixture models are shown to be a potentially effective exploratory method for finding differential effects when these effects can be defined by a small number of classes of respondents who share a typical relationship between a predictor and an outcome. It is also shown that the comparison between regression mixture models and interactions becomes substantially more complex as the number of classes increases. It is argued that regression interactions are well suited for direct tests of specific hypotheses about differential effects and regression mixtures provide a useful approach for exploring effect heterogeneity given adequate samples and study design. PMID:26556903

Synergism between rocuronium and cisatracurium: comparison of the Minto and Greco interaction models.

PubMed

Jeon, Soeun; Kwon, Jae Young; Kim, Hae-Kyu; Kim, Tae Kyun

2016-08-01

This study was conducted to investigate the pharmacodynamic interaction between rocuronium and cisatracurium using the response surface model, which is not subject to the limitations of traditional isobolographic analysis. One hundred and twenty patients were randomly allocated to receive one of the fifteen predefined combinations of rocuronium and cisatracurium. To study single drugs, cisatracurium 0.2, 0.15, or 0.1 mg/kg or rocuronium 0.8, 0.6 or 0.4 mg/kg doses were administered alone. To study the pharmacodynamic interaction, drugs were applied in three types of combination ratio, i.e., half dose of each drug alone, 75% of each single dose of rocuronium and 25% of each single dose of cisatracurium, and vice versa. Train-of-four (TOF) ratio and T1% (first twitch of the TOF presented as percentage compared to the initial T1) were used as pharmacodynamic endpoints, and the Greco and Minto models were used as surface interaction models. The interaction term α of the Greco model for TOF ratio and T1% measurements showed synergism with values of 0.977 and 1.12, respectively. Application of the Minto model resulted in U50 (θ) values (normalized unit of concentration that produces 50% of the maximal effect in the 0 < θ < 1 region) less than 1 for both TOF ratio and T1% measurements, indicating that rocuronium and cisatracurium exhibit synergism. Response surface modeling of the interaction between rocuronium and cisatracurium, based on considerations of their effects on muscle relaxation as measured by TOF ratio and T1%, indicated that the two drugs show considerable synergism.

Effects of desolvation barriers and sidechains on local-nonlocal coupling and chevron behaviors in coarse-grained models of protein folding.

PubMed

Chen, Tao; Chan, Hue Sun

2014-04-14

Local-nonlocal coupling is an organizational principle in protein folding. It envisions a cooperative energetic interplay between local conformational preferences and favorable nonlocal contacts. Previous theoretical studies by our group showed that two classes of native-centric coarse-grained models can capture the experimentally observed high degrees of protein folding cooperativity and diversity in folding rates. These models either embody an explicit local-nonlocal coupling mechanism or incorporate desolvation barriers in the models' pairwise interactions. Here a conceptual connection is made between these two paradigmatic coarse-grained interaction schemes by showing that desolvation barriers enhance local-nonlocal coupling. Furthermore, we find that a class of coarse-grained protein models with a single-site representation of sidechains also increases local-nonlocal coupling relative to mainchain models without sidechains. Enhanced local-nonlocal coupling generally leads to higher folding cooperativity and chevron plots with more linear folding arms. For the sidechain models studied, the chevron plot simulated with entirely native-centric intrachain interactions behaves very similarly to the corresponding chevron plots simulated with interactions that are partly modulated by sequence- and denaturant-dependent transfer free energies. In these essentially native-centric models, the mild chevron rollovers in the simulated folding arm are caused by occasionally populated intermediates as well as the movement of the unfolded and putative folding transition states. The strength and limitation of the models are analyzed by comparison with experiment. New formulations of sidechain models that may provide a physical account for nonnative interactions are also explored.

Visualizing the Impact of Art: An Update and Comparison of Current Psychological Models of Art Experience

PubMed Central

Pelowski, Matthew; Markey, Patrick S.; Lauring, Jon O.; Leder, Helmut

2016-01-01

The last decade has witnessed a renaissance of empirical and psychological approaches to art study, especially regarding cognitive models of art processing experience. This new emphasis on modeling has often become the basis for our theoretical understanding of human interaction with art. Models also often define areas of focus and hypotheses for new empirical research, and are increasingly important for connecting psychological theory to discussions of the brain. However, models are often made by different researchers, with quite different emphases or visual styles. Inputs and psychological outcomes may be differently considered, or can be under-reported with regards to key functional components. Thus, we may lose the major theoretical improvements and ability for comparison that can be had with models. To begin addressing this, this paper presents a theoretical assessment, comparison, and new articulation of a selection of key contemporary cognitive or information-processing-based approaches detailing the mechanisms underlying the viewing of art. We review six major models in contemporary psychological aesthetics. We in turn present redesigns of these models using a unified visual form, in some cases making additions or creating new models where none had previously existed. We also frame these approaches in respect to their targeted outputs (e.g., emotion, appraisal, physiological reaction) and their strengths within a more general framework of early, intermediate, and later processing stages. This is used as a basis for general comparison and discussion of implications and future directions for modeling, and for theoretically understanding our engagement with visual art. PMID:27199697

Visualizing the Impact of Art: An Update and Comparison of Current Psychological Models of Art Experience.

PubMed

Pelowski, Matthew; Markey, Patrick S; Lauring, Jon O; Leder, Helmut

2016-01-01

The last decade has witnessed a renaissance of empirical and psychological approaches to art study, especially regarding cognitive models of art processing experience. This new emphasis on modeling has often become the basis for our theoretical understanding of human interaction with art. Models also often define areas of focus and hypotheses for new empirical research, and are increasingly important for connecting psychological theory to discussions of the brain. However, models are often made by different researchers, with quite different emphases or visual styles. Inputs and psychological outcomes may be differently considered, or can be under-reported with regards to key functional components. Thus, we may lose the major theoretical improvements and ability for comparison that can be had with models. To begin addressing this, this paper presents a theoretical assessment, comparison, and new articulation of a selection of key contemporary cognitive or information-processing-based approaches detailing the mechanisms underlying the viewing of art. We review six major models in contemporary psychological aesthetics. We in turn present redesigns of these models using a unified visual form, in some cases making additions or creating new models where none had previously existed. We also frame these approaches in respect to their targeted outputs (e.g., emotion, appraisal, physiological reaction) and their strengths within a more general framework of early, intermediate, and later processing stages. This is used as a basis for general comparison and discussion of implications and future directions for modeling, and for theoretically understanding our engagement with visual art.

The GENIE Neutrino Monte Carlo Generator: Physics and User Manual

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

Andreopoulos, Costas; Barry, Christopher; Dytman, Steve

2015-10-20

GENIE is a suite of products for the experimental neutrino physics community. This suite includes i) a modern software framework for implementing neutrino event generators, a state-of-the-art comprehensive physics model and tools to support neutrino interaction simulation for realistic experimental setups (the Generator product), ii) extensive archives of neutrino, charged-lepton and hadron scattering data and software to produce a comprehensive set of data/MC comparisons (the Comparisons product), and iii) a generator tuning framework and fitting applications (the Tuning product). This book provides the definite guide for the GENIE Generator: It presents the software architecture and a detailed description of itsmore » physics model and official tunes. In addition, it provides a rich set of data/MC comparisons that characterise the physics performance of GENIE. Detailed step-by-step instructions on how to install and configure the Generator, run its applications and analyze its outputs are also included.« less

Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide.

PubMed

Parker, Trent M; Hohenstein, Edward G; Parrish, Robert M; Hud, Nicholas V; Sherrill, C David

2013-01-30

Symmetry-adapted perturbation theory (SAPT) is applied to pairs of hydrogen-bonded nucleobases to obtain the energetic components of base stacking (electrostatic, exchange-repulsion, induction/polarization, and London dispersion interactions) and how they vary as a function of the helical parameters Rise, Twist, and Slide. Computed average values of Rise and Twist agree well with experimental data for B-form DNA from the Nucleic Acids Database, even though the model computations omitted the backbone atoms (suggesting that the backbone in B-form DNA is compatible with having the bases adopt their ideal stacking geometries). London dispersion forces are the most important attractive component in base stacking, followed by electrostatic interactions. At values of Rise typical of those in DNA (3.36 Å), the electrostatic contribution is nearly always attractive, providing further evidence for the importance of charge-penetration effects in π-π interactions (a term neglected in classical force fields). Comparison of the computed stacking energies with those from model complexes made of the "parent" nucleobases purine and 2-pyrimidone indicates that chemical substituents in DNA and RNA account for 20-40% of the base-stacking energy. A lack of correspondence between the SAPT results and experiment for Slide in RNA base-pair steps suggests that the backbone plays a larger role in determining stacking geometries in RNA than in B-form DNA. In comparisons of base-pair steps with thymine versus uracil, the thymine methyl group tends to enhance the strength of the stacking interaction through a combination of dispersion and electrosatic interactions.

Using Nucleon Multiplicities to Analyze Anti-Neutrino Interactions with Nuclei

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

Elkins, Miranda J.

The most commonly used, simple interaction models have not accurately described the nuclear effects on either neutrino-nucleus or anti-neutrino-nucleus interactions. Comparison of data collected by the MINERvA experiment and these models shows a discrepancy in the reconstructed hadronic energy distribution at momentum transfers below 0.8 GeV. Two nuclear model effects that were previously not modeled are possible culprits of this discrepancy. The first is known as random-phase-approximation and the second is the addition of a meson exchange current process, also known as two-particle two-hole due to its result in two particles leaving the nucleus with two holes left in theirmore » place. For the first time a neutron counting software algorithm has been created and used to compare the multiplicity and spatial distributions of neutrons between the simulation and data. There is localized sensitivity to the RPA and 2p2h effects and both help the simulation better describe the data. Ad ditional systematic or model effects are present which cause the simulation to overproduce neutrons, and potential causes are discussed.« less

Colliding Winds in Symbiotic Binary Systems. I. Analytic and Numerical Solutions

NASA Astrophysics Data System (ADS)

Kenny, H. T.; Taylor, A. R.

2005-01-01

We present new formulations of binary colliding wind models appropriate to symbiotic star systems. The derived models differ from previous formulations in assuming mixing of the shocked material from both incoming streams, rather than postulating a self-sustaining contact discontinuity. The CWb model (colliding winds, binary) extends the work of Girard and Willson by the derivation of an adiabatic temperature, the consideration of radiative cooling, the inclusion of thermal pressures in the incoming winds, and the treatment of interaction shells of finite thickness and density. The finite thickness of the interaction shell allows for calculation of its radiative intensity distribution. The CWc model (colliding winds, concentric) is a similar extension of the model of Kwok, Purton, and Fitzgerald. It is derived in a manner parallel to that of the CWb model, thereby facilitating a unification of the two models. A unified model is desired since wind collisions in symbiotic systems should include aspects of both CWb and CWc interactions. Two examples of model applications are presented: a comparison of the flux densities arising from colliding winds (CWb model) with those arising from the ionization of the surrounding medium (STB model) in the galactic population of symbiotic stars, and model imaging of the symbiotic nova HM Sge.

Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling

NASA Astrophysics Data System (ADS)

Murakami, Yuta; Werner, Philipp; Tsuji, Naoto; Aoki, Hideo

2013-09-01

We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature Tc and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and shift of the Tc dome against the effective electron-electron interaction Ueff given by the Hubbard U reduced by the phonon-mediated attraction in the static limit. This behavior is analyzed by comparison to an effective static model in the polaron representation with a renormalized bandwidth. In addition, we discuss the superconducting gap Δ and 2Δ/Tc to reveal the effect of the retardation and the Coulomb interaction. We also determine the finite-temperature phase diagram including AF and CO. In the moderate-coupling regime, there is a hysteretic region of AF and CO around Ueff=0, while the two phases are separated by a paramagnetic metal in the weak-coupling regime and a paramagnetic insulator in the strong-coupling regime.

Understanding heterogeneity in borderline personality disorder: differences in affective reactivity explained by the traits of dependency and self-criticism.

PubMed

Kopala-Sibley, Daniel C; Zuroff, David C; Russell, Jennifer J; Moskowitz, D S; Paris, Joel

2012-08-01

This study examined whether the personality traits of self-criticism and dependency respectively moderated the effects of perceived inferiority and emotional insecurity on negative affect during interpersonal interactions in individuals with borderline personality disorder (BPD). A sample of 38 patients with BPD and matched community comparison participants completed event-contingent record forms after each significant interaction for a 20-day period. Multilevel models showed that, controlling for baseline levels of depressive symptoms and neuroticism, as well as lagged negative affect, event-level elevations in perceived inferiority and emotional insecurity were related to more negative affect in both groups. Event-level perceived inferiority was more strongly associated with negative affect in patients with BPD who reported higher levels of self-criticism, while event-level perceived emotional insecurity was more strongly associated with negative affect in patients with BPD who reported higher levels of dependency. No significant interactions emerged for the comparison group. These findings further our understanding of differences among patients with BPD and support the application of personality-vulnerability or diathesis-stress models in predicting negative affect in BPD. Results have implications for the design of therapies for patients with BPD. PsycINFO Database Record (c) 2012 APA, all rights reserved.

The additive and interactive effects of parenting style and temperament in obese youth seeking treatment.

PubMed

Zeller, M H; Boles, R E; Reiter-Purtill, J

2008-10-01

To examine maternal parenting behaviors, child temperament and their potential interactions in families of obese children and demographically similar families of nonoverweight children. A total of 77 obese youth (M body mass index (BMI) z-score values, zBMI=2.4; ages 8-16, 59% female, 50% African American) and their parents were recruited from a pediatric weight management clinic and compared to 69 families of nonoverweight youth (M zBMI=-0.03). Comparison youth were classmates of each obese participant matched on gender, race and age. Maternal report of child temperament, parenting style and anthropometric assessments were obtained. Compared to nonoverweight youth, mothers of obese youth described their child as having a more difficult temperament and their parenting style as lower in behavioral control. A logistic regression model indicated that difficult temperament, lower behavioral control and the interaction of low maternal warmth and difficult child temperament were associated with increased odds of a child being classified as obese. Treatment-seeking obese youth and their parents are characterized by different parent and child factors when compared to nonoverweight comparison families. These findings direct investigators to test more complex models of the relation between parent and child characteristics and their mutual role in the weight-related behavior change process.

Mechanical Behavior of Collagen-Fibrin Co-Gels Reflects Transition From Series to Parallel Interactions With Increasing Collagen Content

PubMed Central

Lai, Victor K.; Lake, Spencer P.; Frey, Christina R.; Tranquillo, Robert T.; Barocas, Victor H.

2012-01-01

Fibrin and collagen, biopolymers occurring naturally in the body, are biomaterials commonly-used as scaffolds for tissue engineering. How collagen and fibrin interact to confer macroscopic mechanical properties in collagen-fibrin composite systems remains poorly understood. In this study, we formulated collagen-fibrin co-gels at different collagen-tofibrin ratios to observe changes in the overall mechanical behavior and microstructure. A modeling framework of a two-network system was developed by modifying our micro-scale model, considering two forms of interaction between the networks: (a) two interpenetrating but noninteracting networks (“parallel”), and (b) a single network consisting of randomly alternating collagen and fibrin fibrils (“series”). Mechanical testing of our gels show that collagen-fibrin co-gels exhibit intermediate properties (UTS, strain at failure, tangent modulus) compared to those of pure collagen and fibrin. The comparison with model predictions show that the parallel and series model cases provide upper and lower bounds, respectively, for the experimental data, suggesting that a combination of such interactions exists between the collagen and fibrin in co-gels. A transition from the series model to the parallel model occurs with increasing collagen content, with the series model best describing predominantly fibrin co-gels, and the parallel model best describing predominantly collagen co-gels. PMID:22482659

Comparison of Models for Ball Bearing Dynamic Capacity and Life

NASA Technical Reports Server (NTRS)

Gupta, Pradeep K.; Oswald, Fred B.; Zaretsky, Erwin V.

2015-01-01

Generalized formulations for dynamic capacity and life of ball bearings, based on the models introduced by Lundberg and Palmgren and Zaretsky, have been developed and implemented in the bearing dynamics computer code, ADORE. Unlike the original Lundberg-Palmgren dynamic capacity equation, where the elastic properties are part of the life constant, the generalized formulations permit variation of elastic properties of the interacting materials. The newly updated Lundberg-Palmgren model allows prediction of life as a function of elastic properties. For elastic properties similar to those of AISI 52100 bearing steel, both the original and updated Lundberg-Palmgren models provide identical results. A comparison between the Lundberg-Palmgren and the Zaretsky models shows that at relatively light loads the Zaretsky model predicts a much higher life than the Lundberg-Palmgren model. As the load increases, the Zaretsky model provides a much faster drop off in life. This is because the Zaretsky model is much more sensitive to load than the Lundberg-Palmgren model. The generalized implementation where all model parameters can be varied provides an effective tool for future model validation and enhancement in bearing life prediction capabilities.

Particle simulation of Coulomb collisions: Comparing the methods of Takizuka and Abe and Nanbu

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

Wang Chiaming; Lin, Tungyou; Caflisch, Russel

2008-04-20

The interactions of charged particles in a plasma are governed by long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and statistical error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented.

A predictive model to inform adaptive management of double-crested cormorants and fisheries in Michigan

USGS Publications Warehouse

Tsehaye, Iyob; Jones, Michael L.; Irwin, Brian J.; Fielder, David G.; Breck, James E.; Luukkonen, David R.

2015-01-01

The proliferation of double-crested cormorants (DCCOs; Phalacrocorax auritus) in North America has raised concerns over their potential negative impacts on game, cultured and forage fishes, island and terrestrial resources, and other colonial water birds, leading to increased public demands to reduce their abundance. By combining fish surplus production and bird functional feeding response models, we developed a deterministic predictive model representing bird–fish interactions to inform an adaptive management process for the control of DCCOs in multiple colonies in Michigan. Comparisons of model predictions with observations of changes in DCCO numbers under management measures implemented from 2004 to 2012 suggested that our relatively simple model was able to accurately reconstruct past DCCO population dynamics. These comparisons helped discriminate among alternative parameterizations of demographic processes that were poorly known, especially site fidelity. Using sensitivity analysis, we also identified remaining critical uncertainties (mainly in the spatial distributions of fish vs. DCCO feeding areas) that can be used to prioritize future research and monitoring needs. Model forecasts suggested that continuation of existing control efforts would be sufficient to achieve long-term DCCO control targets in Michigan and that DCCO control may be necessary to achieve management goals for some DCCO-impacted fisheries in the state. Finally, our model can be extended by accounting for parametric or ecological uncertainty and including more complex assumptions on DCCO–fish interactions as part of the adaptive management process.

Finite element modeling of a shaking table test to evaluate the dynamic behaviour of a soil-foundation system

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

Abate, G.; Massimino, M. R.; Maugeri, M.

The deep investigation of soil-foundation interaction behaviour during earthquakes represent one of the key-point for a right seismic design of structures, which can really behave well during earthquake, avoiding dangerous boundary conditions, such as weak foundations supporting the superstructures. The paper presents the results of the FEM modeling of a shaking table test involving a concrete shallow foundation resting on a Leighton Buzzard sand deposit. The numerical simulation is performed using a cap-hardening elasto-plastic constitutive model for the soil and specific soil-foundation contacts to allow slipping and up-lifting phenomena. Thanks to the comparison between experimental and numerical results, the powermore » and the limits of the proposed numerical model are focused. Some aspects of the dynamic soil-foundation interaction are also pointed out.« less

Simulating an emergency department: the importance of modeling the interactions between physicians and delegates in a discrete event simulation.

PubMed

Lim, Morgan E; Worster, Andrew; Goeree, Ron; Tarride, Jean-Éric

2013-05-22

Computer simulation studies of the emergency department (ED) are often patient driven and consider the physician as a human resource whose primary activity is interacting directly with the patient. In many EDs, physicians supervise delegates such as residents, physician assistants and nurse practitioners each with different skill sets and levels of independence. The purpose of this study is to present an alternative approach where physicians and their delegates in the ED are modeled as interacting pseudo-agents in a discrete event simulation (DES) and to compare it with the traditional approach ignoring such interactions. The new approach models a hierarchy of heterogeneous interacting pseudo-agents in a DES, where pseudo-agents are entities with embedded decision logic. The pseudo-agents represent a physician and delegate, where the physician plays a senior role to the delegate (i.e. treats high acuity patients and acts as a consult for the delegate). A simple model without the complexity of the ED is first created in order to validate the building blocks (programming) used to create the pseudo-agents and their interaction (i.e. consultation). Following validation, the new approach is implemented in an ED model using data from an Ontario hospital. Outputs from this model are compared with outputs from the ED model without the interacting pseudo-agents. They are compared based on physician and delegate utilization, patient waiting time for treatment, and average length of stay. Additionally, we conduct sensitivity analyses on key parameters in the model. In the hospital ED model, comparisons between the approach with interaction and without showed physician utilization increase from 23% to 41% and delegate utilization increase from 56% to 71%. Results show statistically significant mean time differences for low acuity patients between models. Interaction time between physician and delegate results in increased ED length of stay and longer waits for beds. This example shows the importance of accurately modeling physician relationships and the roles in which they treat patients. Neglecting these relationships could lead to inefficient resource allocation due to inaccurate estimates of physician and delegate time spent on patient related activities and length of stay.

Computational modeling of joint U.S.-Russian experiments relevant to magnetic compression/magnetized target fusion (MAGO/MTF)

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

Sheehey, P.T.; Faehl, R.J.; Kirkpatrick, R.C.

1997-12-31

Magnetized Target Fusion (MTF) experiments, in which a preheated and magnetized target plasma is hydrodynamically compressed to fusion conditions, present some challenging computational modeling problems. Recently, joint experiments relevant to MTF (Russian acronym MAGO, for Magnitnoye Obzhatiye, or magnetic compression) have been performed by Los Alamos National Laboratory and the All-Russian Scientific Research Institute of Experimental Physics (VNIIEF). Modeling of target plasmas must accurately predict plasma densities, temperatures, fields, and lifetime; dense plasma interactions with wall materials must be characterized. Modeling of magnetically driven imploding solid liners, for compression of target plasmas, must address issues such as Rayleigh-Taylor instability growthmore » in the presence of material strength, and glide plane-liner interactions. Proposed experiments involving liner-on-plasma compressions to fusion conditions will require integrated target plasma and liner calculations. Detailed comparison of the modeling results with experiment will be presented.« less

Extending the Community Multiscale Air Quality (CMAQ) Modeling System to Hemispheric Scales: Overview of Process Considerations and Initial Applications

PubMed Central

Mathur, Rohit; Xing, Jia; Gilliam, Robert; Sarwar, Golam; Hogrefe, Christian; Pleim, Jonathan; Pouliot, George; Roselle, Shawn; Spero, Tanya L.; Wong, David C.; Young, Jeffrey

2018-01-01

The Community Multiscale Air Quality (CMAQ) modeling system is extended to simulate ozone, particulate matter, and related precursor distributions throughout the Northern Hemisphere. Modelled processes were examined and enhanced to suitably represent the extended space and time scales for such applications. Hemispheric scale simulations with CMAQ and the Weather Research and Forecasting (WRF) model are performed for multiple years. Model capabilities for a range of applications including episodic long-range pollutant transport, long-term trends in air pollution across the Northern Hemisphere, and air pollution-climate interactions are evaluated through detailed comparison with available surface, aloft, and remotely sensed observations. The expansion of CMAQ to simulate the hemispheric scales provides a framework to examine interactions between atmospheric processes occurring at various spatial and temporal scales with physical, chemical, and dynamical consistency. PMID:29681922

Interacting hadron resonance gas model in the K -matrix formalism

NASA Astrophysics Data System (ADS)

Dash, Ashutosh; Samanta, Subhasis; Mohanty, Bedangadas

2018-05-01

An extension of hadron resonance gas (HRG) model is constructed to include interactions using relativistic virial expansion of partition function. The noninteracting part of the expansion contains all the stable baryons and mesons and the interacting part contains all the higher mass resonances which decay into two stable hadrons. The virial coefficients are related to the phase shifts which are calculated using K -matrix formalism in the present work. We have calculated various thermodynamics quantities like pressure, energy density, and entropy density of the system. A comparison of thermodynamic quantities with noninteracting HRG model, calculated using the same number of hadrons, shows that the results of the above formalism are larger. A good agreement between equation of state calculated in K -matrix formalism and lattice QCD simulations is observed. Specifically, the lattice QCD calculated interaction measure is well described in our formalism. We have also calculated second-order fluctuations and correlations of conserved charges in K -matrix formalism. We observe a good agreement of second-order fluctuations and baryon-strangeness correlation with lattice data below the crossover temperature.

Comparison of methods for the analysis of relatively simple mediation models.

PubMed

Rijnhart, Judith J M; Twisk, Jos W R; Chinapaw, Mai J M; de Boer, Michiel R; Heymans, Martijn W

2017-09-01

Statistical mediation analysis is an often used method in trials, to unravel the pathways underlying the effect of an intervention on a particular outcome variable. Throughout the years, several methods have been proposed, such as ordinary least square (OLS) regression, structural equation modeling (SEM), and the potential outcomes framework. Most applied researchers do not know that these methods are mathematically equivalent when applied to mediation models with a continuous mediator and outcome variable. Therefore, the aim of this paper was to demonstrate the similarities between OLS regression, SEM, and the potential outcomes framework in three mediation models: 1) a crude model, 2) a confounder-adjusted model, and 3) a model with an interaction term for exposure-mediator interaction. Secondary data analysis of a randomized controlled trial that included 546 schoolchildren. In our data example, the mediator and outcome variable were both continuous. We compared the estimates of the total, direct and indirect effects, proportion mediated, and 95% confidence intervals (CIs) for the indirect effect across OLS regression, SEM, and the potential outcomes framework. OLS regression, SEM, and the potential outcomes framework yielded the same effect estimates in the crude mediation model, the confounder-adjusted mediation model, and the mediation model with an interaction term for exposure-mediator interaction. Since OLS regression, SEM, and the potential outcomes framework yield the same results in three mediation models with a continuous mediator and outcome variable, researchers can continue using the method that is most convenient to them.

Soil Moisture Project Evaluation Workshop

NASA Technical Reports Server (NTRS)

Gilbert, R. H. (Editor)

1980-01-01

Approaches planned or being developed for measuring and modeling soil moisture parameters are discussed. Topics cover analysis of spatial variability of soil moisture as a function of terrain; the value of soil moisture information in developing stream flow data; energy/scene interactions; applications of satellite data; verifying soil water budget models; soil water profile/soil temperature profile models; soil moisture sensitivity analysis; combinations of the thermal model and microwave; determing planetary roughness and field roughness; how crust or a soil layer effects microwave return; truck radar; and truck/aircraft radar comparison.

Application of the Boundary Element Method to Elastic Wave Scattering Problems in Ultrasonic Nondestructive Evaluation.

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss -Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatterers. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of "open", cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

Application of the boundary element method to elastic wave scattering problems in ultrasonic nondestructive evaluation

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

1991-02-01

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss-Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatters. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of 'open', cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

Fear conditioning is associated with dynamic directed functional interactions between and within the human amygdala, hippocampus, and frontal lobe.

PubMed

Liu, C C; Crone, N E; Franaszczuk, P J; Cheng, D T; Schretlen, D S; Lenz, F A

2011-08-25

The current model of fear conditioning suggests that it is mediated through modules involving the amygdala (AMY), hippocampus (HIP), and frontal lobe (FL). We now test the hypothesis that habituation and acquisition stages of a fear conditioning protocol are characterized by different event-related causal interactions (ERCs) within and between these modules. The protocol used the painful cutaneous laser as the unconditioned stimulus and ERC was estimated by analysis of local field potentials recorded through electrodes implanted for investigation of epilepsy. During the prestimulus interval of the habituation stage FL>AMY ERC interactions were common. For comparison, in the poststimulus interval of the habituation stage, only a subdivision of the FL (dorsolateral prefrontal cortex, dlPFC) still exerted the FL>AMY ERC interaction (dlFC>AMY). For a further comparison, during the poststimulus interval of the acquisition stage, the dlPFC>AMY interaction persisted and an AMY>FL interaction appeared. In addition to these ERC interactions between modules, the results also show ERC interactions within modules. During the poststimulus interval, HIP>HIP ERC interactions were more common during acquisition, and deep hippocampal contacts exerted causal interactions on superficial contacts, possibly explained by connectivity between the perihippocampal gyrus and the HIP. During the prestimulus interval of the habituation stage, AMY>AMY ERC interactions were commonly found, while interactions between the deep and superficial AMY (indirect pathway) were independent of intervals and stages. These results suggest that the network subserving fear includes distributed or widespread modules, some of which are themselves "local networks." ERC interactions between and within modules can be either static or change dynamically across intervals or stages of fear conditioning. Copyright © 2011 IBRO. Published by Elsevier Ltd. All rights reserved.

Interactive collision detection for deformable models using streaming AABBs.

PubMed

Zhang, Xinyu; Kim, Young J

2007-01-01

We present an interactive and accurate collision detection algorithm for deformable, polygonal objects based on the streaming computational model. Our algorithm can detect all possible pairwise primitive-level intersections between two severely deforming models at highly interactive rates. In our streaming computational model, we consider a set of axis aligned bounding boxes (AABBs) that bound each of the given deformable objects as an input stream and perform massively-parallel pairwise, overlapping tests onto the incoming streams. As a result, we are able to prevent performance stalls in the streaming pipeline that can be caused by expensive indexing mechanism required by bounding volume hierarchy-based streaming algorithms. At runtime, as the underlying models deform over time, we employ a novel, streaming algorithm to update the geometric changes in the AABB streams. Moreover, in order to get only the computed result (i.e., collision results between AABBs) without reading back the entire output streams, we propose a streaming en/decoding strategy that can be performed in a hierarchical fashion. After determining overlapped AABBs, we perform a primitive-level (e.g., triangle) intersection checking on a serial computational model such as CPUs. We implemented the entire pipeline of our algorithm using off-the-shelf graphics processors (GPUs), such as nVIDIA GeForce 7800 GTX, for streaming computations, and Intel Dual Core 3.4G processors for serial computations. We benchmarked our algorithm with different models of varying complexities, ranging from 15K up to 50K triangles, under various deformation motions, and the timings were obtained as 30 approximately 100 FPS depending on the complexity of models and their relative configurations. Finally, we made comparisons with a well-known GPU-based collision detection algorithm, CULLIDE [4] and observed about three times performance improvement over the earlier approach. We also made comparisons with a SW-based AABB culling algorithm [2] and observed about two times improvement.

Modelling non-linear effects of dark energy

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis

2018-04-01

We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.

Space Shuttle hypersonic aerodynamic and aerothermodynamic flight research and the comparison to ground test results

NASA Technical Reports Server (NTRS)

Iliff, Kenneth W.; Shafer, Mary F.

1993-01-01

Aerodynamic and aerothermodynamic comparisons between flight and ground test for the Space Shuttle at hypersonic speeds are discussed. All of the comparisons are taken from papers published by researchers active in the Space Shuttle program. The aerodynamic comparisons include stability and control derivatives, center-of-pressure location, and reaction control jet interaction. Comparisons are also discussed for various forms of heating, including catalytic, boundary layer, top centerline, side fuselage, OMS pod, wing leading edge, and shock interaction. The jet interaction and center-of-pressure location flight values exceeded not only the predictions but also the uncertainties of the predictions. Predictions were significantly exceeded for the heating caused by the vortex impingement on the OMS pods and for heating caused by the wing leading-edge shock interaction.

Perturbation Theory versus Thermodynamic Integration. Beyond a Mean-Field Treatment of Pair Correlations in a Nematic Model Liquid Crystal.

PubMed

Schoen, Martin; Haslam, Andrew J; Jackson, George

2017-10-24

The phase behavior and structure of a simple square-well bulk fluid with anisotropic interactions is described in detail. The orientation dependence of the intermolecular interactions allows for the formation of a nematic liquid-crystalline phase in addition to the more conventional isotropic gas and liquid phases. A version of classical density functional theory (DFT) is employed to determine the properties of the model, and comparisons are made with the corresponding data from Monte Carlo (MC) computer simulations in both the grand canonical and canonical ensembles, providing a benchmark to assess the adequacy of the DFT results. A novel element of the DFT approach is the assumption that the structure of the fluid is dominated by intermolecular interactions in the isotropic fluid. A so-called augmented modified mean-field (AMMF) approximation is employed accounting for the influence of anisotropic interactions. The AMMF approximation becomes exact in the limit of vanishing density. We discuss advantages and disadvantages of the AMMF approximation with respect to an accurate description of isotropic and nematic branches of the phase diagram, the degree of orientational order, and orientation-dependent pair correlations. The performance of the AMMF approximations is found to be good in comparison with the MC data; the AMMF approximation has clear advantages with respect to an accurate and more detailed description of the fluid structure. Possible strategies to improve the DFT are discussed.

A DPL model of photo-thermal interaction in an infinite semiconductor material containing a spherical hole

NASA Astrophysics Data System (ADS)

Hobiny, Aatef D.; Abbas, Ibrahim A.

2018-01-01

The dual phase lag (DPL) heat transfer model is applied to study the photo-thermal interaction in an infinite semiconductor medium containing a spherical hole. The inner surface of the cavity was traction free and loaded thermally by pulse heat flux. By using the eigenvalue approach methodology and Laplace's transform, the physical variable solutions are obtained analytically. The numerical computations for the silicon-like semiconductor material are obtained. The comparison among the theories, i.e., dual phase lag (DPL), Lord and Shulman's (LS) and the classically coupled thermoelastic (CT) theory is presented graphically. The results further show that the analytical scheme can overcome mathematical problems by analyzing these problems.

Everybody else is: Networks, power laws and peer contagion in the aggressive recess behavior of elementary school boys.

PubMed

Warren, Keith; Craciun, Gheorghe; Anderson-Butcher, Dawn

2005-04-01

This paper develops a simple random network model of peer contagion in aggressive behavior among inner-city elementary school boys during recess periods. The model predicts a distribution of aggressive behaviors per recess period with a power law tail beginning at two aggressive behaviors and having a slope of approximately -1.5. Comparison of these values with values derived from observations of aggressive behaviors during recess at an inner-city elementary school provides empirical support for the model. These results suggest that fluctuations in aggressive behaviors during recess arise from the interactions between students, rather than from variations in the behavior of individual students. The results therefore support those interventions that aim to change the pattern of interaction between students.

A comparison of experimental and computer model results on the charge-exchange plasma flow from a 30 cm mercury ion thruster

NASA Technical Reports Server (NTRS)

Gabriel, S. B.; Kaufman, H. R.

1982-01-01

Ion thrusters can be used in a variety of primary and auxiliary space-propulsion applications. A thruster produces a charge-exchange plasma which can interact with various systems on the spacecraft. The propagation of the charge-exchange plasma is crucial in determining the interaction of that plasma with the spacecraft. This paper compares experimental measurements with computer model predictions of the propagation of the charge-exchange plasma from a 30 cm mercury ion thruster. The plasma potentials, and ion densities, and directed energies are discussed. Good agreement is found in a region upstream of, and close to, the ion thruster optics. Outside of this region the agreement is reasonable in view of the modeling difficulties.

Realistic Modeling of Interaction of Quiet-Sun Magnetic Fields with the Chromosphere

NASA Technical Reports Server (NTRS)

Kitiashvili, I. N.; Kosovichev, A. G.; Mansour, N. N.; Wray, A. A.

2017-01-01

High­-resolution observations and 3D MHD simulations reveal intense interaction between the convection zone dynamics and the solar atmosphere on subarcsecond scales. To investigate processes of the dynamical coupling and energy exchange between the subsurface layers and the chromosphere we perform 3D radiative MHD modeling for a computational domain that includes the upper convection zone and the chromosphere, and investigate the structure and dynamics for different intensity of the photospheric magnetic flux. For comparison with observations, the simulation models have been used to calculate synthetic Stokes profiles of various spectral lines. The results show intense energy exchange through small­-scale magnetized vortex tubes rooted below the photosphere, which provide extra heating of the chromosphere, initiate shock waves, and small­-scale eruptions.

Comparison of Traditional Methods with 3D Computer Models in the Instruction of Hepatobiliary Anatomy

ERIC Educational Resources Information Center

Keedy, Alexander W.; Durack, Jeremy C.; Sandhu, Parmbir; Chen, Eric M.; O'Sullivan, Patricia S.; Breiman, Richard S.

2011-01-01

This study was designed to determine whether an interactive three-dimensional presentation depicting liver and biliary anatomy is more effective for teaching medical students than a traditional textbook format presentation of the same material. Forty-six medical students volunteered for participation in this study. Baseline demographic…

On the Telephone Again! Differences in Telephone Behaviour: England versus Greece.

ERIC Educational Resources Information Center

Sifianou, Maria

1989-01-01

Investigation and comparison of telephone behavior, and the attitudes and values attached to telephone usage in England and Greece, from the perspective of an interaction model. Results revealed cultural differences in responses to making telephone calls, verifying numbers and speakers, and apologies for wrong numbers or disturbing calls.…

A Comparison of Video-Based and Interaction-Based Affect Detectors in Physics Playground

ERIC Educational Resources Information Center

Kai, Shiming; Paquette, Luc; Baker, Ryan S.; Bosch, Nigel; D'Mello, Sidney; Ocumpaugh, Jaclyn; Shute, Valerie; Ventura, Matthew

2015-01-01

Increased attention to the relationships between affect and learning has led to the development of machine-learned models that are able to identify students' affective states in computerized learning environments. Data for these affect detectors have been collected from multiple modalities including physical sensors, dialogue logs, and logs of…

Multiphase flow in geometrically simple fracture intersections

USGS Publications Warehouse

Basagaoglu, H.; Meakin, P.; Green, C.T.; Mathew, M.; ,

2006-01-01

A two-dimensional lattice Boltzmann (LB) model with fluid-fluid and solid-fluid interaction potentials was used to study gravity-driven flow in geometrically simple fracture intersections. Simulated scenarios included fluid dripping from a fracture aperture, two-phase flow through intersecting fractures and thin-film flow on smooth and undulating solid surfaces. Qualitative comparisons with recently published experimental findings indicate that for these scenarios the LB model captured the underlying physics reasonably well.

Shell-model predictions for Lambda Lambda hypernuclei

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

Gal, A.; Millener, D.

2011-06-02

It is shown how the recent shell-model determination of {Lambda}N spin-dependent interaction terms in {Lambda} hypernuclei allows for a reliable deduction of {Lambda}{Lambda} separation energies in {Lambda}{Lambda} hypernuclei across the nuclear p shell. Comparison is made with the available data, highlighting {sub {Lambda}{Lambda}}{sup 11}Be and {sub {Lambda}{Lambda}}{sup 12}Be which have been suggested as possible candidates for the KEK-E373 HIDA event.

A nonlinear analysis of the terahertz serpentine waveguide traveling-wave amplifier

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

Li, Ke, E-mail: like.3714@163.com; Cao, Miaomiao, E-mail: mona486@yeah.net; Institute of Electronics, University of Chinese Academy of Sciences, Beijing 100190

A nonlinear model for the numerical simulation of terahertz serpentine waveguide traveling-wave tube (SW-TWT) is described. In this model, the electromagnetic wave transmission in the SW is represented as an infinite set of space harmonics to interact with an electron beam. Analytical expressions for axial electric fields in axisymmetric interaction gaps of SW-TWTs are derived and compared with the results from CST simulation. The continuous beam is treated as discrete macro-particles with different initial phases. The beam-tunnel field equations, space-charge field equations, and motion equations are combined to solve the beam-wave interaction. The influence of backward wave and relativistic effectmore » is also considered in the series of equations. The nonlinear model is used to design a 340 GHz SW-TWT. Several favorable comparisons of model predictions with results from a 3-D Particle-in-cell simulation code CHIPIC are presented, in which the output power versus beam voltage and interaction periods are illustrated. The relative error of the predicted output power is less than 15% in the 3 dB bandwidth and the relative error of the saturated length is less than 8%.The results show that the 1-D nonlinear analysis model is appropriate to solve the terahertz SW-TWT operation characteristics.« less

Violent Interaction Detection in Video Based on Deep Learning

NASA Astrophysics Data System (ADS)

Zhou, Peipei; Ding, Qinghai; Luo, Haibo; Hou, Xinglin

2017-06-01

Violent interaction detection is of vital importance in some video surveillance scenarios like railway stations, prisons or psychiatric centres. Existing vision-based methods are mainly based on hand-crafted features such as statistic features between motion regions, leading to a poor adaptability to another dataset. En lightened by the development of convolutional networks on common activity recognition, we construct a FightNet to represent the complicated visual violence interaction. In this paper, a new input modality, image acceleration field is proposed to better extract the motion attributes. Firstly, each video is framed as RGB images. Secondly, optical flow field is computed using the consecutive frames and acceleration field is obtained according to the optical flow field. Thirdly, the FightNet is trained with three kinds of input modalities, i.e., RGB images for spatial networks, optical flow images and acceleration images for temporal networks. By fusing results from different inputs, we conclude whether a video tells a violent event or not. To provide researchers a common ground for comparison, we have collected a violent interaction dataset (VID), containing 2314 videos with 1077 fight ones and 1237 no-fight ones. By comparison with other algorithms, experimental results demonstrate that the proposed model for violent interaction detection shows higher accuracy and better robustness.

GraphCrunch 2: Software tool for network modeling, alignment and clustering.

PubMed

Kuchaiev, Oleksii; Stevanović, Aleksandar; Hayes, Wayne; Pržulj, Nataša

2011-01-19

Recent advancements in experimental biotechnology have produced large amounts of protein-protein interaction (PPI) data. The topology of PPI networks is believed to have a strong link to their function. Hence, the abundance of PPI data for many organisms stimulates the development of computational techniques for the modeling, comparison, alignment, and clustering of networks. In addition, finding representative models for PPI networks will improve our understanding of the cell just as a model of gravity has helped us understand planetary motion. To decide if a model is representative, we need quantitative comparisons of model networks to real ones. However, exact network comparison is computationally intractable and therefore several heuristics have been used instead. Some of these heuristics are easily computable "network properties," such as the degree distribution, or the clustering coefficient. An important special case of network comparison is the network alignment problem. Analogous to sequence alignment, this problem asks to find the "best" mapping between regions in two networks. It is expected that network alignment might have as strong an impact on our understanding of biology as sequence alignment has had. Topology-based clustering of nodes in PPI networks is another example of an important network analysis problem that can uncover relationships between interaction patterns and phenotype. We introduce the GraphCrunch 2 software tool, which addresses these problems. It is a significant extension of GraphCrunch which implements the most popular random network models and compares them with the data networks with respect to many network properties. Also, GraphCrunch 2 implements the GRAph ALigner algorithm ("GRAAL") for purely topological network alignment. GRAAL can align any pair of networks and exposes large, dense, contiguous regions of topological and functional similarities far larger than any other existing tool. Finally, GraphCruch 2 implements an algorithm for clustering nodes within a network based solely on their topological similarities. Using GraphCrunch 2, we demonstrate that eukaryotic and viral PPI networks may belong to different graph model families and show that topology-based clustering can reveal important functional similarities between proteins within yeast and human PPI networks. GraphCrunch 2 is a software tool that implements the latest research on biological network analysis. It parallelizes computationally intensive tasks to fully utilize the potential of modern multi-core CPUs. It is open-source and freely available for research use. It runs under the Windows and Linux platforms.

Trophic interaction modifications: an empirical and theoretical framework.

PubMed

Terry, J Christopher D; Morris, Rebecca J; Bonsall, Michael B

2017-10-01

Consumer-resource interactions are often influenced by other species in the community. At present these 'trophic interaction modifications' are rarely included in ecological models despite demonstrations that they can drive system dynamics. Here, we advocate and extend an approach that has the potential to unite and represent this key group of non-trophic interactions by emphasising the change to trophic interactions induced by modifying species. We highlight the opportunities this approach brings in comparison to frameworks that coerce trophic interaction modifications into pairwise relationships. To establish common frames of reference and explore the value of the approach, we set out a range of metrics for the 'strength' of an interaction modification which incorporate increasing levels of contextual information about the system. Through demonstrations in three-species model systems, we establish that these metrics capture complimentary aspects of interaction modifications. We show how the approach can be used in a range of empirical contexts; we identify as specific gaps in current understanding experiments with multiple levels of modifier species and the distributions of modifications in networks. The trophic interaction modification approach we propose can motivate and unite empirical and theoretical studies of system dynamics, providing a route to confront ecological complexity. © 2017 The Authors. Ecology Letters published by CNRS and John Wiley & Sons Ltd.

The atmospheric effects of stratospheric aircraft. Report of the 1992 Models and Measurements Workshop. Volume 1: Workshop objectives and summary

NASA Technical Reports Server (NTRS)

Prather, Michael J. (Editor); Remsburg, Ellis E. (Editor)

1993-01-01

This Workshop on Stratospheric Models and Measurements (M&M) marks a significant expansion in the history of model intercomparisons. It provides a foundation for establishing the credibility of stratospheric models used in environmental assessments of chlorofluorocarbons, aircraft emissions, and climate-chemistry interactions. The core of the M&M comparisons involves the selection of observations of the current stratosphere (i.e., within the last 15 years): these data are believed to be accurate and representative of certain aspects of stratospheric chemistry and dynamics that the models should be able to simulate.

The atmospheric effects of stratospheric aircraft. Report of the 1992 Models and Measurements Workshop. Volume 3: Special diagnostic studies

NASA Technical Reports Server (NTRS)

Prather, Michael J. (Editor); Remsberg, Ellis E. (Editor)

1993-01-01

This Workshop on Stratospheric Models and Measurements (M&M) marks a significant expansion in the history of model intercomparisons. It provides a foundation for establishing the credibility of stratospheric models used in environmental assessments of chlorofluorocarbons, aircraft emissions, and climate-chemistry interactions. The core of the M&M comparisons involves the selection of observations of the current stratosphere (i.e., within the last 15 years): these data are believed to be accurate and representative of certain aspects of stratospheric chemistry and dynamics that the models should be able to simulate.

CFL3D Contribution to the AIAA Supersonic Shock Boundary Layer Interaction Workshop

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.

2010-01-01

This paper documents the CFL3D contribution to the AIAA Supersonic Shock Boundary Layer Interaction Workshop, held in Orlando, Florida in January 2010. CFL3D is a Reynolds-averaged Navier-Stokes code. Four shock boundary layer interaction cases are computed using a one-equation turbulence model widely used for other aerodynamic problems of interest. Two of the cases have experimental data available at the workshop, and two of the cases do not. The effect of grid, flux scheme, and thin-layer approximation are investigated. Comparisons are made to the available experimental data. All four cases exhibit strong three-dimensional behavior in and near the interaction regions, resulting from influences of the tunnel side-walls.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin; Anderson, Molly

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA) that were developed using the Aspen Custom Modeler and Aspen Plus process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Laser-plasma interactions for fast ignition

NASA Astrophysics Data System (ADS)

Kemp, A. J.; Fiuza, F.; Debayle, A.; Johzaki, T.; Mori, W. B.; Patel, P. K.; Sentoku, Y.; Silva, L. O.

2014-05-01

In the electron-driven fast-ignition (FI) approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review recent progress in the understanding of intense laser-plasma interactions (LPI) relevant to FI. Increases in computational and modelling capabilities, as well as algorithmic developments have led to enhancement in our ability to perform multi-dimensional particle-in-cell simulations of LPI at relevant scales. We discuss the physics of the interaction in terms of laser absorption fraction, the laser-generated electron spectra, divergence, and their temporal evolution. Scaling with irradiation conditions such as laser intensity are considered, as well as the dependence on plasma parameters. Different numerical modelling approaches and configurations are addressed, providing an overview of the modelling capabilities and limitations. In addition, we discuss the comparison of simulation results with experimental observables. In particular, we address the question of surrogacy of today's experiments for the full-scale FI problem.

High-spin level structure and Ground-state phase transition in the odd-mass 103-109Rh isotopes in the framework of exactly solvable sdg interacting boson-fermion model

NASA Astrophysics Data System (ADS)

Ghapanvari, M.; Ghorashi, A. H.; Ranjbar, Z.; Jafarizadeh, M. A.

2018-03-01

In this article, the negative-parity states in the odd-mass 103 - 109Rh isotopes in terms of the sd and sdg interacting-boson fermion models were studied. The transitional interacting boson-fermion model Hamiltonians in sd and sdg-IBFM versions based on affine SU (1 , 1) Lie Algebra were employed to describe the evolution from the spherical to deformed gamma unstable shapes along with the chain of Rh isotopes. In this method, sdg-IBFM Hamiltonian, which is a three level pairing Hamiltonian was determined easily via the exactly solvable method. Some observables of the shape phase transitions such as energy levels, the two neutron separation energies, signature splitting of the γ-vibrational band, the α-decay and double β--decay energies were calculated and examined for these isotopes. The present calculation correctly reproduces the spherical to gamma-soft phase transition in the Rh isotopes. Some comparisons were made with sd-IBFM.

Coupled modelling of groundwater flow-heat transport for assessing river-aquifer interactions

NASA Astrophysics Data System (ADS)

Engeler, I.; Hendricks Franssen, H. J.; Müller, R.; Stauffer, F.

2010-05-01

A three-dimensional finite element model for coupled variably saturated groundwater flow and heat transport was developed for the aquifer below the city of Zurich. The piezometric heads in the aquifer are strongly influenced by the river Limmat. In the model region, the river Limmat looses water to the aquifer. The river-aquifer interaction was modelled with the standard linear leakage concept. Coupling was implemented by considering temperature dependence of the hydraulic conductivity and of the leakage coefficient (via water viscosity) and density dependent transport. Calibration was performed for isothermal conditions by inverse modelling using the pilot point method. Independent model testing was carried out with help of the available dense monitoring network for piezometric heads and groundwater temperature. The model was tested by residuals analysis with the help of measurements for both groundwater temperature and head. The comparison of model results and measurements showed high accuracy for temperature except for the Southern part of the model area, where important geological heterogeneity is expected, which could not be reproduced by the model. The comparison of simulated and measured head showed that especially in the vicinity of river Limmat model results were improved by a temperature dependent leakage coefficient. Residuals were reduced up to 30% compared to isothermal leakage coefficients. This holds particularly for regions, where the river stage is considerably above the groundwater level. Furthermore additional analysis confirmed prior findings, that seepage rates during flood events cannot be reproduced with the implemented linear leakage-concept. Infiltration during flood events is larger than expected, which can be potentially attributed to additional infiltration areas. It is concluded that the temperature dependent leakage concept improves the model results for this study area significantly, and that we expect that this is also for other areas the case.

Numerical investigation of two interacting parallel thruster-plumes and comparison to experiment

NASA Astrophysics Data System (ADS)

Grabe, Martin; Holz, André; Ziegenhagen, Stefan; Hannemann, Klaus

2014-12-01

Clusters of orbital thrusters are an attractive option to achieve graduated thrust levels and increased redundancy with available hardware, but the heavily under-expanded plumes of chemical attitude control thrusters placed in close proximity will interact, leading to a local amplification of downstream fluxes and of back-flow onto the spacecraft. The interaction of two similar, parallel, axi-symmetric cold-gas model thrusters has recently been studied in the DLR High-Vacuum Plume Test Facility STG under space-like vacuum conditions, employing a Patterson-type impact pressure probe with slot orifice. We reproduce a selection of these experiments numerically, and emphasise that a comparison of numerical results to the measured data is not straight-forward. The signal of the probe used in the experiments must be interpreted according to the degree of rarefaction and local flow Mach number, and both vary dramatically thoughout the flow-field. We present a procedure to reconstruct the probe signal by post-processing the numerically obtained flow-field data and show that agreement to the experimental results is then improved. Features of the investigated cold-gas thruster plume interaction are discussed on the basis of the numerical results.

Magneto-elastic modeling of composites containing chain-structured magnetostrictive particles

NASA Astrophysics Data System (ADS)

Yin, H. M.; Sun, L. Z.; Chen, J. S.

2006-05-01

Magneto-elastic behavior is investigated for two-phase composites containing chain-structured magnetostrictive particles under both magnetic and mechanical loading. To derive the local magnetic and elastic fields, three modified Green's functions are derived and explicitly integrated for the infinite domain containing a spherical inclusion with a prescribed magnetization, body force, and eigenstrain. A representative volume element containing a chain of infinite particles is introduced to solve averaged magnetic and elastic fields in the particles and the matrix. Effective magnetostriction of composites is derived by considering the particle's magnetostriction and the magnetic interaction force. It is shown that there exists an optimal choice of the Young's modulus of the matrix and the volume fraction of the particles to achieve the maximum effective magnetostriction. A transversely isotropic effective elasticity is derived at the infinitesimal deformation. Disregarding the interaction term, this model provides the same effective elasticity as Mori-Tanaka's model. Comparisons of model results with the experimental data and other models show the efficacy of the model and suggest that the particle interactions have a considerable effect on the effective magneto-elastic properties of composites even for a low particle volume fraction.

A mean-density model of ionic surfactants for the dispersion of carbon nanotubes in aqueous solutions

NASA Astrophysics Data System (ADS)

Joung, Young Soo

2018-05-01

We propose a new analytical model of ionic surfactants used for the dispersion of carbon nanotubes (CNTs) in aqueous solutions. Although ionic surfactants are commonly used to facilitate the dispersion of CNTs in aqueous solutions, understanding the dispersion process is challenging and time-consuming owing to its complexity and nonlinearity. In this work, we develop a mean-density model of ionic surfactants to simplify the calculation of interaction forces between CNTs stabilized by ionic surfactants. Using this model, we can evaluate various interaction forces between the CNTs and ionic surfactants under different conditions. The dispersion mechanism is investigated by estimating the potential of mean force (PMF) as a function of van der Waals forces, electrostatic forces, interfacial tension, and osmotic pressure. To verify the proposed model, we compare the PMFs derived using our method with those derived from molecular dynamics simulations using comparable CNTs and ionic surfactants. Notably, for stable dispersions, the osmotic pressure and interfacial energy are important for long-range and short-range interactions, respectively, in comparison with the effect of electrostatic forces. Our model effectively prescribes specific surfactants and their concentrations to achieve stable aqueous suspensions of CNTs.

Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

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

Burns, Lori A.; Marshall, Michael S.; Sherrill, C. David, E-mail: sherrill@gatech.edu

2014-12-21

A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracymore » and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.« less

Assessing NARCCAP climate model effects using spatial confidence regions

PubMed Central

French, Joshua P.; McGinnis, Seth; Schwartzman, Armin

2017-01-01

We assess similarities and differences between model effects for the North American Regional Climate Change Assessment Program (NARCCAP) climate models using varying classes of linear regression models. Specifically, we consider how the average temperature effect differs for the various global and regional climate model combinations, including assessment of possible interaction between the effects of global and regional climate models. We use both pointwise and simultaneous inference procedures to identify regions where global and regional climate model effects differ. We also show conclusively that results from pointwise inference are misleading, and that accounting for multiple comparisons is important for making proper inference. PMID:28936474

Factors Influencing Occupant-To-Seat Belt Interaction in Far-Side Crashes

PubMed Central

Douglas, C.A.; Fildes, B.N.; Gibson, T.J.; Boström, O.; Pintar, F.A.

2007-01-01

Seat belt interaction with a far-side occupant’s shoulder and thorax is critical to governing excursion towards the struck-side of the vehicle in side impact. In this study, occupant-to-belt interaction was simulated using a modified MADYMO human model and finite element belts. Quasi-static tests with volunteers and dynamic sled tests with PMHS and WorldSID were used for model validation and comparison. Parameter studies were then undertaken to quantify the effect of impact direction, seat belt geometry and pretension on occupant-to-seat belt interaction. Results suggest that lowering the D-ring and increasing pretension reduces the likelihood of the belt slipping off the shoulder. Anthropometry was also shown to influence restraint provided by the shoulder belt. Furthermore, the belt may slip off the occupant’s shoulder at impact angles greater than 40 degrees from frontal when no pretension is used. However, the addition of pretension allowed the shoulder to engage the belt in all impacts from 30 to 90 degrees. PMID:18184500

Laplace-SGBEM analysis of the dynamic stress intensity factors and the dynamic T-stress for the interaction between a crack and auxetic inclusions

NASA Astrophysics Data System (ADS)

Kwon, Kibum

A dynamic analysis of the interaction between a crack and an auxetic (negative Poisson ratio)/non-auxetic inclusion is presented. The two most important fracture parameters, namely the stress intensity factors and the T-stress are analyzed by using the symmetric Galerkin boundary element method in the Laplace domain for three different models of crack-inclusion interaction. To investigate the effects of auxetic inclusions on the fracture behavior of composites reinforced by this new type of material, comparisons of the dynamic stress intensity factors and the dynamic T-stress are made between the use of auxetic inclusions as opposed to the use of traditional inclusions. Furthermore, the technique presented in this research can be employed to analyze for the interaction between a crack and a cluster of auxetic/non-auxetic inclusions. Results from the latter models can be employed in crack growth analysis in auxetic-fiber-reinforced composites.

Effective model with strong Kitaev interactions for α -RuCl3

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi; Suga, Sei-ichiro

2018-04-01

We use an exact numerical diagonalization method to calculate the dynamical spin structure factors of three ab initio models and one ab initio guided model for a honeycomb-lattice magnet α -RuCl3 . We also use thermal pure quantum states to calculate the temperature dependence of the heat capacity, the nearest-neighbor spin-spin correlation function, and the static spin structure factor. From the results obtained from these four effective models, we find that, even when the magnetic order is stabilized at low temperature, the intensity at the Γ point in the dynamical spin structure factors increases with increasing nearest-neighbor spin correlation. In addition, we find that the four models fail to explain heat-capacity measurements whereas two of the four models succeed in explaining inelastic-neutron-scattering experiments. In the four models, when temperature decreases, the heat capacity shows a prominent peak at a high temperature where the nearest-neighbor spin-spin correlation function increases. However, the peak temperature in heat capacity is too low in comparison with that observed experimentally. To address these discrepancies, we propose an effective model that includes strong ferromagnetic Kitaev coupling, and we show that this model quantitatively reproduces both inelastic-neutron-scattering experiments and heat-capacity measurements. To further examine the adequacy of the proposed model, we calculate the field dependence of the polarized terahertz spectra, which reproduces the experimental results: the spin-gapped excitation survives up to an onset field where the magnetic order disappears and the response in the high-field region is almost linear. Based on these numerical results, we argue that the low-energy magnetic excitation in α -RuCl3 is mainly characterized by interactions such as off-diagonal interactions and weak Heisenberg interactions between nearest-neighbor pairs, rather than by the strong Kitaev interactions.

Interacting multiple model forward filtering and backward smoothing for maneuvering target tracking

NASA Astrophysics Data System (ADS)

Nandakumaran, N.; Sutharsan, S.; Tharmarasa, R.; Lang, Tom; McDonald, Mike; Kirubarajan, T.

2009-08-01

The Interacting Multiple Model (IMM) estimator has been proven to be effective in tracking agile targets. Smoothing or retrodiction, which uses measurements beyond the current estimation time, provides better estimates of target states. Various methods have been proposed for multiple model smoothing in the literature. In this paper, a new smoothing method, which involves forward filtering followed by backward smoothing while maintaining the fundamental spirit of the IMM, is proposed. The forward filtering is performed using the standard IMM recursion, while the backward smoothing is performed using a novel interacting smoothing recursion. This backward recursion mimics the IMM estimator in the backward direction, where each mode conditioned smoother uses standard Kalman smoothing recursion. Resulting algorithm provides improved but delayed estimates of target states. Simulation studies are performed to demonstrate the improved performance with a maneuvering target scenario. The comparison with existing methods confirms the improved smoothing accuracy. This improvement results from avoiding the augmented state vector used by other algorithms. In addition, the new technique to account for model switching in smoothing is a key in improving the performance.

Viscous-inviscid calculations of jet entrainment effects on the subsonic flow over nozzle afterbodies

NASA Technical Reports Server (NTRS)

Wilmoth, R. G.

1980-01-01

A viscous-inviscid interaction model was developed to account for jet entrainment effects in the prediction of the subsonic flow over nozzle afterbodies. The model is based on the concept of a weakly interacting shear layer in which the local streamline deflections due to entrainment are accounted for by a displacement-thickness type of correction to the inviscid plume boundary. The entire flow field is solved in an iterative manner to account for the effects on the inviscid external flow of the turbulent boundary layer, turbulent mixing and chemical reactions in the shear layer, and the inviscid jet exhaust flow. The components of the computational model are described, and numerical results are presented to illustrate the interactive effects of entrainment on the overall flow structure. The validity of the model is assessed by comparisons with data obtained form flow-field measurements on cold-air jet exhausts. Numerical results and experimental data are also given to show the entrainment effects on nozzle boattail drag under various jet exhaust and free-stream flow conditions.

Interactive locomotion: Investigation and modeling of physically-paired humans while walking

PubMed Central

Le Goff, Camille G.; Ijspeert, Auke Jan

2017-01-01

In spite of extensive studies on human walking, less research has been conducted on human walking gait adaptation during interaction with another human. In this paper, we study a particular case of interactive locomotion where two humans carry a rigid object together. Experimental data from two persons walking together, one in front of the other, while carrying a stretcher-like object is presented, and the adaptation of their walking gaits and coordination of the foot-fall patterns are analyzed. It is observed that in more than 70% of the experiments the subjects synchronize their walking gaits; it is shown that these walking gaits can be associated to quadrupedal gaits. Moreover, in order to understand the extent by which the passive dynamics can explain this synchronization behaviour, a simple 2D model, made of two-coupled spring-loaded inverted pendulums, is developed, and a comparison between the experiments and simulations with this model is presented, showing that with this simple model we are able to reproduce some aspects of human walking behaviour when paired with another human. PMID:28877161

Using Enabling Technologies to Facilitate the Comparison of Satellite Observations with the Model Forecasts for Hurricane Study

NASA Astrophysics Data System (ADS)

Li, P.; Knosp, B.; Hristova-Veleva, S. M.; Niamsuwan, N.; Johnson, M. P.; Shen, T. P. J.; Tanelli, S.; Turk, J.; Vu, Q. A.

2014-12-01

Due to their complexity and volume, the satellite data are underutilized in today's hurricane research and operations. To better utilize these data, we developed the JPL Tropical Cyclone Information System (TCIS) - an Interactive Data Portal providing fusion between Near-Real-Time satellite observations and model forecasts to facilitate model evaluation and improvement. We have collected satellite observations and model forecasts in the Atlantic Basin and the East Pacific for the hurricane seasons since 2010 and supported the NASA Airborne Campaigns for Hurricane Study such as the Genesis and Rapid Intensification Processes (GRIP) in 2010 and the Hurricane and Severe Storm Sentinel (HS3) from 2012 to 2014. To enable the direct inter-comparisons of the satellite observations and the model forecasts, the TCIS was integrated with the NASA Earth Observing System Simulator Suite (NEOS3) to produce synthetic observations (e.g. simulated passive microwave brightness temperatures) from a number of operational hurricane forecast models (HWRF and GFS). An automated process was developed to trigger NEOS3 simulations via web services given the location and time of satellite observations, monitor the progress of the NEOS3 simulations, display the synthetic observation and ingest them into the TCIS database when they are done. In addition, three analysis tools, the joint PDF analysis of the brightness temperatures, ARCHER for finding the storm-center and the storm organization and the Wave Number Analysis tool for storm asymmetry and morphology analysis were integrated into TCIS to provide statistical and structural analysis on both observed and synthetic data. Interactive tools were built in the TCIS visualization system to allow the spatial and temporal selections of the datasets, the invocation of the tools with user specified parameters, and the display and the delivery of the results. In this presentation, we will describe the key enabling technologies behind the design of the TCIS interactive data portal and analysis tools, including the spatial database technology for the representation and query of the level 2 satellite data, the automatic process flow using web services, the interactive user interface using the Google Earth API, and a common and expandable Python wrapper to invoke the analysis tools.

Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches

NASA Astrophysics Data System (ADS)

Casalegno, Mosè; Bernardi, Andrea; Raos, Guido

2013-07-01

Numerical approaches can provide useful information about the microscopic processes underlying photocurrent generation in organic solar cells (OSCs). Among them, the Kinetic Monte Carlo (KMC) method is conceptually the simplest, but computationally the most intensive. A less demanding alternative is potentially represented by so-called Master Equation (ME) approaches, where the equations describing particle dynamics rely on the mean-field approximation and their solution is attained numerically, rather than stochastically. The description of charge separation dynamics, the treatment of electrostatic interactions and numerical stability are some of the key issues which have prevented the application of these methods to OSC modelling, despite of their successes in the study of charge transport in disordered system. Here we describe a three-dimensional ME approach to photocurrent generation in OSCs which attempts to deal with these issues. The reliability of the proposed method is tested against reference KMC simulations on bilayer heterojunction solar cells. Comparison of the current-voltage curves shows that the model well approximates the exact result for most devices. The largest deviations in current densities are mainly due to the adoption of the mean-field approximation for electrostatic interactions. The presence of deep traps, in devices characterized by strong energy disorder, may also affect result quality. Comparison of the simulation times reveals that the ME algorithm runs, on the average, one order of magnitude faster than KMC.

Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.

PubMed

Heinz, Hendrik; Ramezani-Dakhel, Hadi

2016-01-21

Natural and man-made materials often rely on functional interfaces between inorganic and organic compounds. Examples include skeletal tissues and biominerals, drug delivery systems, catalysts, sensors, separation media, energy conversion devices, and polymer nanocomposites. Current laboratory techniques are limited to monitor and manipulate assembly on the 1 to 100 nm scale, time-consuming, and costly. Computational methods have become increasingly reliable to understand materials assembly and performance. This review explores the merit of simulations in comparison to experiment at the 1 to 100 nm scale, including connections to smaller length scales of quantum mechanics and larger length scales of coarse-grain models. First, current simulation methods, advances in the understanding of chemical bonding, in the development of force fields, and in the development of chemically realistic models are described. Then, the recognition mechanisms of biomolecules on nanostructured metals, semimetals, oxides, phosphates, carbonates, sulfides, and other inorganic materials are explained, including extensive comparisons between modeling and laboratory measurements. Depending on the substrate, the role of soft epitaxial binding mechanisms, ion pairing, hydrogen bonds, hydrophobic interactions, and conformation effects is described. Applications of the knowledge from simulation to predict binding of ligands and drug molecules to the inorganic surfaces, crystal growth and shape development, catalyst performance, as well as electrical properties at interfaces are examined. The quality of estimates from molecular dynamics and Monte Carlo simulations is validated in comparison to measurements and design rules described where available. The review further describes applications of simulation methods to polymer composite materials, surface modification of nanofillers, and interfacial interactions in building materials. The complexity of functional multiphase materials creates opportunities to further develop accurate force fields, including reactive force fields, and chemically realistic surface models, to enable materials discovery at a million times lower computational cost compared to quantum mechanical methods. The impact of modeling and simulation could further be increased by the advancement of a uniform simulation platform for organic and inorganic compounds across the periodic table and new simulation methods to evaluate system performance in silico.

A study of the rotor wake of a small-scale rotor model in forward flight using laser light sheet flow visualization with comparisons to analytical models

NASA Technical Reports Server (NTRS)

Ghee, Terence A.; Elliott, Joe W.

1992-01-01

An experimental investigation was conducted in the 14 by 22 ft subsonic tunnel at NASA Langley Research Center to quantify the rotor wake behind a scale model helicopter rotor in forward flight (mu = 0.15 and 0.23) at one thrust level (C sub T = 0.0064). The rotor system used in the present test consisted of a four-bladed, fully articulated hub and utilized blades of rectangular planform with a NACA-0012 airfoil section. A laser light sheet, seeded with propylene glycol smoke, was used to visualize the flow in planes parallel and perpendicular to the freestream flow. Quantitative measurements of vortex location, vertical skew angle, and vortex particle void radius were obtained for vortices in the flow; convective velocities were obtained for blade tip vortices. Comparisons were made between the experimental results and the wake geometry generated by computational predictions. The results of these comparisons show that the interaction between wake vortex structures is an important consideration for correctly predicting the wake geometry.

Social comparison, competition and teacher-student relationships in junior high school classrooms predicts bullying and victimization.

PubMed

Di Stasio, Maria Rosaria; Savage, Robert; Burgos, Giovani

2016-12-01

This cross-sectional research examines how social comparison, competition and teacher-student relationships as classroom characteristics are associated with bullying and victimization among junior high school students in grades 7 and 8 in Canada. The study tests a conceptual model of youth outcomes that highlights the importance of modeling the effects of teaching practices as proximal structural conditions at the classroom level (N = 38) that affect bullying outcomes at the individual level (N = 687). Results of Hierarchal linear modeling (HLM) revealed significant classroom-level effects in that increased social comparison, competition and teacher-student relationships were related to bullying and victimization. An interaction for teacher-student relationships and gender also emerged. These findings may guide future intervention programs for junior high schools that focus on enhancing cooperation and pro-social behavior in classrooms. The findings could also inform programs that focus on building strong relationships between students and teachers to help prevent bullying and victimization, particularly among boys. Copyright © 2016 The Foundation for Professionals in Services for Adolescents. All rights reserved.

Solar Wind Interaction and Crustal Field Influences on Mars' Upper Ionosphere: MAVEN Observations Compared to Model Results

NASA Astrophysics Data System (ADS)

Luhmann, J. G.; Alvarez, K.; Curry, S.; Dong, C.; Ma, Y.; Bougher, S. W.; Benna, M.; Elrod, M. K.; Mahaffy, P. R.; Withers, P.; Girazian, Z.; Connerney, J. E. P.; Brain, D.; Jakosky, B. M.

2016-12-01

Since the two Viking Landers, progress on improving our global knowledge of the Martian ionosphere's characteristics has been limited by the available instrumentation and sampling geometries. In particular, while remote sensing and the lower energy plasma spectrometer observations on missions including MGS and MEX provided insights on the effects of the crustal magnetic fields of Mars and the solar wind interaction, these measurements did not allow the broader thermal ion surveys necessary to test our current understanding of the region between the exobase at 200 km altitude and the solar wind interaction boundary. In this study we use the MAVEN NGIMS thermal ion mass spectrometer observations from the prime mission year 2015 to construct some statistical pictures of the increasingly collisionless region of the ionosphere between 200 and 500 km where crustal field and solar wind interaction effects should begin to dominate its behavior. Comparisons with models of the solar wind interaction with Mars provide important global context for these observations, including the roles of system diversity associated with changing crustal field and interplanetary field orientations.

A Nuclear Interaction Model for Understanding Results of Single Event Testing with High Energy Protons

NASA Technical Reports Server (NTRS)

Culpepper, William X.; ONeill, Pat; Nicholson, Leonard L.

2000-01-01

An internuclear cascade and evaporation model has been adapted to estimate the LET spectrum generated during testing with 200 MeV protons. The model-generated heavy ion LET spectrum is compared to the heavy ion LET spectrum seen on orbit. This comparison is the basis for predicting single event failure rates from heavy ions using results from a single proton test. Of equal importance, this spectra comparison also establishes an estimate of the risk of encountering a failure mode on orbit that was not detected during proton testing. Verification of the general results of the model is presented based on experiments, individual part test results, and flight data. Acceptance of this model and its estimate of remaining risk opens the hardware verification philosophy to the consideration of radiation testing with high energy protons at the board and box level instead of the more standard method of individual part testing with low energy heavy ions.

Comparative systems biology between human and animal models based on next-generation sequencing methods.

PubMed

Zhao, Yu-Qi; Li, Gong-Hua; Huang, Jing-Fei

2013-04-01

Animal models provide myriad benefits to both experimental and clinical research. Unfortunately, in many situations, they fall short of expected results or provide contradictory results. In part, this can be the result of traditional molecular biological approaches that are relatively inefficient in elucidating underlying molecular mechanism. To improve the efficacy of animal models, a technological breakthrough is required. The growing availability and application of the high-throughput methods make systematic comparisons between human and animal models easier to perform. In the present study, we introduce the concept of the comparative systems biology, which we define as "comparisons of biological systems in different states or species used to achieve an integrated understanding of life forms with all their characteristic complexity of interactions at multiple levels". Furthermore, we discuss the applications of RNA-seq and ChIP-seq technologies to comparative systems biology between human and animal models and assess the potential applications for this approach in the future studies.

Modeling Fetal Weight for Gestational Age: A Comparison of a Flexible Multi-level Spline-based Model with Other Approaches

PubMed Central

Villandré, Luc; Hutcheon, Jennifer A; Perez Trejo, Maria Esther; Abenhaim, Haim; Jacobsen, Geir; Platt, Robert W

2011-01-01

We present a model for longitudinal measures of fetal weight as a function of gestational age. We use a linear mixed model, with a Box-Cox transformation of fetal weight values, and restricted cubic splines, in order to flexibly but parsimoniously model median fetal weight. We systematically compare our model to other proposed approaches. All proposed methods are shown to yield similar median estimates, as evidenced by overlapping pointwise confidence bands, except after 40 completed weeks, where our method seems to produce estimates more consistent with observed data. Sex-based stratification affects the estimates of the random effects variance-covariance structure, without significantly changing sex-specific fitted median values. We illustrate the benefits of including sex-gestational age interaction terms in the model over stratification. The comparison leads to the conclusion that the selection of a model for fetal weight for gestational age can be based on the specific goals and configuration of a given study without affecting the precision or value of median estimates for most gestational ages of interest. PMID:21931571

MHD Modeling of the Interaction of the Solar Wind With Venus

NASA Technical Reports Server (NTRS)

Steinolfson, R. S.

1996-01-01

The primary objective of this research program is to improve our understanding of the physical processes occurring in the interaction of the solar wind with Venus. This will be accomplished through the use of numerical solutions of the two- and three-dimensional magnetohydrodynamic (MHD) equations and through comparisons of the computed results with available observations. A large portion of this effort involves the study of processes due to the presence of the magnetic field and the effects of mass loading. Published papers are included in the appendix.

Machine-related backgrounds in the SiD detector at ILC

NASA Astrophysics Data System (ADS)

Denisov, D. S.; Mokhov, N. V.; Striganov, S. I.; Kostin, M. A.; Tropin, I. S.

2006-12-01

With a multi-stage collimation system and magnetic iron spoilers in the tunnel, the background particle fluxes on the ILC detector can be substantially reduced. At the same time, beam-halo interactions with collimators and protective masks in the beam delivery system create fluxes of muons and other secondary particles which can still exceed the tolerable levels for some of the ILC sub-detectors. Results of modeling of such backgrounds in comparison to those from the e+e- interactions are presented in this paper for the SiD detector.

An evaluative model of system performance in manned teleoperational systems

NASA Technical Reports Server (NTRS)

Haines, Richard F.

1989-01-01

Manned teleoperational systems are used in aerospace operations in which humans must interact with machines remotely. Manual guidance of remotely piloted vehicles, controling a wind tunnel, carrying out a scientific procedure remotely are examples of teleoperations. A four input parameter throughput (Tp) model is presented which can be used to evaluate complex, manned, teleoperations-based systems and make critical comparisons among candidate control systems. The first two parameters of this model deal with nominal (A) and off-nominal (B) predicted events while the last two focus on measured events of two types, human performance (C) and system performance (D). Digital simulations showed that the expression A(1-B)/C+D) produced the greatest homogeneity of variance and distribution symmetry. Results from a recently completed manned life science telescience experiment will be used to further validate the model. Complex, interacting teleoperational systems may be systematically evaluated using this expression much like a computer benchmark is used.

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Degroh, Kim K.; Sechkar, Edward A.

1992-01-01

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

A Self-Consistent Model of the Interacting Ring Current Ions with Electromagnetic ICWs

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.; Jordanova, V. K.; Krivorutsky, E. N.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Initial results from a newly developed model of the interacting ring current ions and ion cyclotron waves are presented. The model is based on the system of two bound kinetic equations: one equation describes the ring current ion dynamics, and another equation describes wave evolution. The system gives a self-consistent description of ring current ions and ion cyclotron waves in a quasilinear approach. These two equations were solved on a global scale under non steady-state conditions during the May 2-5, 1998 storm. The structure and dynamics of the ring current proton precipitating flux regions and the wave active zones at three time cuts around initial, main, and late recovery phases of the May 4, 1998 storm phase are presented and discussed in detail. Comparisons of the model wave-ion data with the Polar/HYDRA and Polar/MFE instruments results are presented..

Analysis of functional importance of binding sites in the Drosophila gap gene network model.

PubMed

Kozlov, Konstantin; Gursky, Vitaly V; Kulakovskiy, Ivan V; Dymova, Arina; Samsonova, Maria

2015-01-01

The statistical thermodynamics based approach provides a promising framework for construction of the genotype-phenotype map in many biological systems. Among important aspects of a good model connecting the DNA sequence information with that of a molecular phenotype (gene expression) is the selection of regulatory interactions and relevant transcription factor bindings sites. As the model may predict different levels of the functional importance of specific binding sites in different genomic and regulatory contexts, it is essential to formulate and study such models under different modeling assumptions. We elaborate a two-layer model for the Drosophila gap gene network and include in the model a combined set of transcription factor binding sites and concentration dependent regulatory interaction between gap genes hunchback and Kruppel. We show that the new variants of the model are more consistent in terms of gene expression predictions for various genetic constructs in comparison to previous work. We quantify the functional importance of binding sites by calculating their impact on gene expression in the model and calculate how these impacts correlate across all sites under different modeling assumptions. The assumption about the dual interaction between hb and Kr leads to the most consistent modeling results, but, on the other hand, may obscure existence of indirect interactions between binding sites in regulatory regions of distinct genes. The analysis confirms the previously formulated regulation concept of many weak binding sites working in concert. The model predicts a more or less uniform distribution of functionally important binding sites over the sets of experimentally characterized regulatory modules and other open chromatin domains.

Fast-responding property of electromagnetically induced transparency in Rydberg atoms

NASA Astrophysics Data System (ADS)

Zhang, Qi; Bai, Zhengyang; Huang, Guoxiang

2018-04-01

We investigate the transient optical response property of an electromagnetically induced transparency (EIT) in a cold Rydberg atomic gas. We show that both the transient behavior and the steady-state EIT spectrum of the system depend strongly on Rydberg interaction. Especially, the response speed of the Rydberg-EIT can be five times faster (and even higher) than the conventional EIT without the Rydberg interaction. For comparison, two different theoretical approaches (i.e., two-atom model and many-atom model) are considered, revealing that Rydberg blockade effect plays a significant role for increasing the response speed of the Rydberg-EIT. The fast-responding Rydberg-EIT by using the strong, tunable Rydberg interaction uncovered here is not only helpful for enhancing the understanding of the many-body dynamics of Rydberg atoms but also useful for practical applications in quantum information processing by using Rydberg atoms.

Ground cross-modal impedance as a tool for analyzing ground/plate interaction and ground wave propagation.

PubMed

Grau, L; Laulagnet, B

2015-05-01

An analytical approach is investigated to model ground-plate interaction based on modal decomposition and the two-dimensional Fourier transform. A finite rectangular plate subjected to flexural vibration is coupled with the ground and modeled with the Kirchhoff hypothesis. A Navier equation represents the stratified ground, assumed infinite in the x- and y-directions and free at the top surface. To obtain an analytical solution, modal decomposition is applied to the structure and a Fourier Transform is applied to the ground. The result is a new tool for analyzing ground-plate interaction to resolve this problem: ground cross-modal impedance. It allows quantifying the added-stiffness, added-mass, and added-damping from the ground to the structure. Similarity with the parallel acoustic problem is highlighted. A comparison between the theory and the experiment shows good matching. Finally, specific cases are investigated, notably the influence of layer depth on plate vibration.

Metal-poor stars. IV - The evolution of red giants.

NASA Technical Reports Server (NTRS)

Rood, R. T.

1972-01-01

Detailed evolutionary calculations for six Population-II red giants are presented. The first five of these models are followed from the zero age main sequence to the onset of the helium flash. The sixth model allows the effect of direct electron-neutrino interactions to be estimated. The updated input physics and evolutionary code are described briefly. The results of the calculations are presented in a manner pertinent to later stages of evolutions and suitable for comparison with observations.

Interpreting Neutron Reflectivity Profiles of Diblock Copolymer Nanocomposite Thin Films Using Hybrid Particle-Field Simulations

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

Mahalik, Jyoti P.; Dugger, Jason W.; Sides, Scott W.

Mixtures of block copolymers and nanoparticles (block copolymer nanocomposites) are known to microphase separate into a plethora of microstructures, depending on the composition, length scale and nature of interactions among its different constituents. Theoretical and experimental works on this class of nanocomposites have already high-lighted intricate relations among chemical details of the polymers, nanoparticles, and various microstructures. Confining these nanocomposites in thin films yields an even larger array of structures, which are not normally observed in the bulk. In contrast to the bulk, exploring various microstructures in thin films by the experimental route remains a challenging task. Here in thismore » work, we construct a model for the thin films of lamellar forming diblock copolymers containing spherical nanoparticles based on a hybrid particle-field approach. The model is benchmarked by comparison with the depth profiles obtained from the neutron reflectivity experiments for symmetric poly(deuterated styrene-b-n butyl methacrylate) copolymers blended with spherical magnetite nanoparticles covered with hydrogenated poly(styrene) corona. We show that the model based on a hybrid particle-field approach provides details of the underlying microphase separation in the presence of the nanoparticles through a direct comparison to the neutron reflectivity data. This work benchmarks the application of the hybrid particle-field model to extract the interaction parameters for exploring different microstructures in thin films containing block copolymers and nanocomposites.« less

Interpreting Neutron Reflectivity Profiles of Diblock Copolymer Nanocomposite Thin Films Using Hybrid Particle-Field Simulations

DOE PAGES

Mahalik, Jyoti P.; Dugger, Jason W.; Sides, Scott W.; ...

2018-04-10

Mixtures of block copolymers and nanoparticles (block copolymer nanocomposites) are known to microphase separate into a plethora of microstructures, depending on the composition, length scale and nature of interactions among its different constituents. Theoretical and experimental works on this class of nanocomposites have already high-lighted intricate relations among chemical details of the polymers, nanoparticles, and various microstructures. Confining these nanocomposites in thin films yields an even larger array of structures, which are not normally observed in the bulk. In contrast to the bulk, exploring various microstructures in thin films by the experimental route remains a challenging task. Here in thismore » work, we construct a model for the thin films of lamellar forming diblock copolymers containing spherical nanoparticles based on a hybrid particle-field approach. The model is benchmarked by comparison with the depth profiles obtained from the neutron reflectivity experiments for symmetric poly(deuterated styrene-b-n butyl methacrylate) copolymers blended with spherical magnetite nanoparticles covered with hydrogenated poly(styrene) corona. We show that the model based on a hybrid particle-field approach provides details of the underlying microphase separation in the presence of the nanoparticles through a direct comparison to the neutron reflectivity data. This work benchmarks the application of the hybrid particle-field model to extract the interaction parameters for exploring different microstructures in thin films containing block copolymers and nanocomposites.« less

Nonlinear stochastic exclusion financial dynamics modeling and time-dependent intrinsic detrended cross-correlation

NASA Astrophysics Data System (ADS)

Zhang, Wei; Wang, Jun

2017-09-01

In attempt to reproduce price dynamics of financial markets, a stochastic agent-based financial price model is proposed and investigated by stochastic exclusion process. The exclusion process, one of interacting particle systems, is usually thought of as modeling particle motion (with the conserved number of particles) in a continuous time Markov process. In this work, the process is utilized to imitate the trading interactions among the investing agents, in order to explain some stylized facts found in financial time series dynamics. To better understand the correlation behaviors of the proposed model, a new time-dependent intrinsic detrended cross-correlation (TDI-DCC) is introduced and performed, also, the autocorrelation analyses are applied in the empirical research. Furthermore, to verify the rationality of the financial price model, the actual return series are also considered to be comparatively studied with the simulation ones. The comparison results of return behaviors reveal that this financial price dynamics model can reproduce some correlation features of actual stock markets.

Human IgG subclass cross-species reactivity to mouse and cynomolgus monkey Fcγ receptors.

PubMed

Derebe, Mehabaw G; Nanjunda, Rupesh K; Gilliland, Gary L; Lacy, Eilyn R; Chiu, Mark L

2018-05-01

In therapeutic antibody discovery and early development, mice and cynomolgus monkey are used as animal models to assess toxicity, efficacy and other properties of candidate molecules. As more candidate antibodies are based on human immunoglobulin (IgG) subclasses, many strategies are pursued to simulate the human system in the test animal. However, translation rate from a successful preclinical trial to an approved drug is extremely low. This may partly be due to differences in interaction of human IgG based candidate molecules to endogenous Fcγ receptors of model animals in comparison to those of human Fcγ receptors. In this study, we compare binding characteristics of human IgG subclasses commonly used in drug development (IgG1, IgG2, IgG4) and their respective Fc silent versions (IgG1σ, IgG2σ, IgG4 PAA) to human, mouse, and cynomolgus monkey Fcγ receptors. To control interactions between Fab and Fc domains, the test IgGs all have the same variable region sequences. We found distinct variations of interaction of human IgG subclasses to model animal Fcγ receptors in comparison to their human counterparts. Particularly, cynomolgus monkey Fcγ receptors showed consistently tighter binding to human IgGs than human Fcγ receptors. Moreover, the presumably Fc silent human IgG4 PAA framework bound to cynomolgus monkey FcγRI with nanomolar affinity while only very weak binding was observed for the human FcγRI. Our results highlighted the need for a thorough in vitro affinity characterization of candidate IgGs against model animal Fcγ receptors and careful design of preclinical studies. Copyright © 2018. Published by Elsevier B.V.

The perception of spatial layout in real and virtual worlds.

PubMed

Arthur, E J; Hancock, P A; Chrysler, S T

1997-01-01

As human-machine interfaces grow more immersive and graphically-oriented, virtual environment systems become more prominent as the medium for human-machine communication. Often, virtual environments (VE) are built to provide exact metrical representations of existing or proposed physical spaces. However, it is not known how individuals develop representational models of these spaces in which they are immersed and how those models may be distorted with respect to both the virtual and real-world equivalents. To evaluate the process of model development, the present experiment examined participant's ability to reproduce a complex spatial layout of objects having experienced them previously under different viewing conditions. The layout consisted of nine common objects arranged on a flat plane. These objects could be viewed in a free binocular virtual condition, a free binocular real-world condition, and in a static monocular view of the real world. The first two allowed active exploration of the environment while the latter condition allowed the participant only a passive opportunity to observe from a single viewpoint. Viewing conditions were a between-subject variable with 10 participants randomly assigned to each condition. Performance was assessed using mapping accuracy and triadic comparisons of relative inter-object distances. Mapping results showed a significant effect of viewing condition where, interestingly, the static monocular condition was superior to both the active virtual and real binocular conditions. Results for the triadic comparisons showed a significant interaction for gender by viewing condition in which males were more accurate than females. These results suggest that the situation model resulting from interaction with a virtual environment was indistinguishable from interaction with real objects at least within the constraints of the present procedure.

Congested Aggregation via Newtonian Interaction

NASA Astrophysics Data System (ADS)

Craig, Katy; Kim, Inwon; Yao, Yao

2018-01-01

We consider a congested aggregation model that describes the evolution of a density through the competing effects of nonlocal Newtonian attraction and a hard height constraint. This provides a counterpoint to existing literature on repulsive-attractive nonlocal interaction models, where the repulsive effects instead arise from an interaction kernel or the addition of diffusion. We formulate our model as the Wasserstein gradient flow of an interaction energy, with a penalization to enforce the constraint on the height of the density. From this perspective, the problem can be seen as a singular limit of the Keller-Segel equation with degenerate diffusion. Two key properties distinguish our problem from previous work on height constrained equations: nonconvexity of the interaction kernel (which places the model outside the scope of classical gradient flow theory) and nonlocal dependence of the velocity field on the density (which causes the problem to lack a comparison principle). To overcome these obstacles, we combine recent results on gradient flows of nonconvex energies with viscosity solution theory. We characterize the dynamics of patch solutions in terms of a Hele-Shaw type free boundary problem and, using this characterization, show that in two dimensions patch solutions converge to a characteristic function of a disk in the long-time limit, with an explicit rate on the decay of the energy. We believe that a key contribution of the present work is our blended approach, combining energy methods with viscosity solution theory.

Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

NASA Astrophysics Data System (ADS)

Taghavy, Amir; Pennell, Kurt D.; Abriola, Linda M.

2015-01-01

Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media.

Modeling coupled nanoparticle aggregation and transport in porous media: a Lagrangian approach.

PubMed

Taghavy, Amir; Pennell, Kurt D; Abriola, Linda M

2015-01-01

Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media. Copyright © 2014 Elsevier B.V. All rights reserved.

A Linked Series of Laboratory Exercises in Molecular Biology Utilizing Bioinformatics and GFP

ERIC Educational Resources Information Center

Medin, Carey L.; Nolin, Katie L.

2011-01-01

Molecular biologists commonly use bioinformatics to map and analyze DNA and protein sequences and to align different DNA and protein sequences for comparison. Additionally, biologists can create and view 3D models of protein structures to further understand intramolecular interactions. The primary goal of this 10-week laboratory was to introduce…

Negative Charged Pion Production on a Deuteron by Quasi-Real Photons

NASA Astrophysics Data System (ADS)

Gauzshtein, V. V.; Dusaev, R. R.; Loginov, A. Yu.; Nikolenko, D. M.; Sidorov, A. A.; Stibunov, V. N.

2013-12-01

Experimental differential cross sections of photoproduction of negative pions on a deuteron have been obtained as functions of the polar angle of emission of π- mesons. A comparison is made of the measured cross sections with the results of calculations in a model that takes account the interaction in the final state of the reaction.

Particle Simulation of Coulomb Collisions: Comparing the Methods of Takizuka & Abe and Nanbu

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

Wang, C; Lin, T; Caflisch, R

2007-05-22

The interactions of charged particles in a plasma are in a plasma is governed by the long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and stochastic error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented.

A model parent group for enhancing aggressive children's social competence in Taiwan.

PubMed

Li, Ming-Hui

2009-07-01

This paper presents a semi-structured psychoeducational model of group work for parents of aggressive children based on concepts of co-parenting and bidirectionality. The group was developed for enhancing five Taiwanese aggressive children's social competence by promoting positive interactions within family. Topics covered in the group included identifying parenting styles, forming parental alliances, fostering parent-child mutual initiations/mutual compliances, establishing parent-child co-regulation, and responding to aggressive children's negative emotions. Pre- and post-group comparisons suggested the effectiveness of the group model.

Comparison of 3D ion velocity distribution measurements and models in the vicinity of an absorbing boundary oriented obliquely to a magnetic field

NASA Astrophysics Data System (ADS)

Henriquez, Miguel F.; Thompson, Derek S.; Kenily, Shane; Khaziev, Rinat; Good, Timothy N.; McIlvain, Julianne; Siddiqui, M. Umair; Curreli, Davide; Scime, Earl E.

2016-10-01

Understanding particle distributions in plasma boundary regions is critical to predicting plasma-surface interactions. Ions in the presheath exhibit complex behavior because of collisions and due to the presence of boundary-localized electric fields. Complete understanding of particle dynamics is necessary for understanding the critical problems of tokamak wall loading and Hall thruster channel wall erosion. We report measurements of 3D argon ion velocity distribution functions (IVDFs) in the vicinity of an absorbing boundary oriented obliquely to a background magnetic field. Measurements were obtained via argon ion laser induced fluorescence throughout a spatial volume upstream of the boundary. These distribution functions reveal kinetic details that provide a point-to-point check on particle-in-cell and 1D3V Boltzmann simulations. We present the results of this comparison and discuss some implications for plasma boundary interaction physics.

Inclusive strange-resonance production in pp,. pi. /sup +/p, and K/sup +/p interactions at 147 GeV/c

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

Brick, D.; Rudnicka, H.; Shapiro, A.M.

1982-05-01

We have studied the inclusive production of K/sup asteriskplus-or-minus/(890) and Y/sup asteriskplus-or-minus/(1385) in pp, ..pi../sup +/p, and K/sup +/p interactions at 147 GeV/c. The experiment used the Fermilab 30-inch hydrogen bubble chamber with the hybrid spectrometer system. Results are based on a sample of 1916 observed K/sub S/ and 932 observed ..lambda... Inclusive cross sections are given for K/sup asteriskplus-or-minus/ and Y/sup asteriskplus-or-minus/ production from the three beams, and comparisons are made with experiments at other energies. Feynman-x and transverse-momentum-squared distributions are also calculated. The results suggest that the K/sup asterisk-/ is entirely produced in the central region, while themore » K/sup asterisk+/ includes a component from beam fragmentation. Comparisons are made with the additive quark model.« less

Mesoscale Convective Systems in SCSMEX: Simulated by a Regional Climate Model and a Cloud Resolving Model

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Wang, Y.; Qian, I.; Lau, W.; Shie, C.-L.; Starr, David (Technical Monitor)

2002-01-01

A Regional Land-Atmosphere Climate Simulation (RELACS) System is being developed and implemented at NASA Goddard Space Flight Center. One of the major goals of RELACS is to use a regional scale model with improved physical processes, in particular land-related processes, to understand the role of the land surface and its interaction with convection and radiation as well as the water and energy cycles in Indo-China/ South China Sea (SCS)/China, N. America and S. America. The Penn State/NCAR MM5 atmospheric modeling system, a state of the art atmospheric numerical model designed to simulate regional weather and climate, has been successfully coupled to the Goddard Parameterization for Land-Atmosphere-C loud Exchange (PLACE) land surface model. PLACE allows for the effects of vegetation, and thus important physical processes such as evapotranspiration and interception are included. The PLACE model incorporates vegetation type and has been shown in international comparisons to accurately predict evapotranspiration and runoff over a wide variety of land surfaces. The coupling of MM5 and PLACE creates a numerical modeling system with the potential to more realistically simulate the atmosphere and land surface processes including land-sea interaction, regional circulations such as monsoons, and flash flood events. RELACS has been used to simulate the onset of the South China Sea Monsoon in 1986, 1997 and 1998. Sensitivity tests on various land surface models, cumulus parameterization schemes (CPSs), sea surface temperature (SST) variations and midlatitude influences have been performed. These tests have indicated that the land surface model has a major impact on the circulation over the S. China Sea. CPSs can effect the precipitation pattern while SST variation can effect the precipitation amounts over both land and ocean. RELACS has also been used to understand the soil-precipitation interaction and feedback associated with a flood event that occurred in and around China's Yantz River during 1998. The exact location (region) of the flooding can be effected by the soil-rainfall feedback. Also, the Goddard Cumulus Ensemble (GCE) model which allows for realistic moist processes as well as explicit interactions between cloud and radiation, and cloud and surface processes will be used to simulate convective systems associated with the onset of the South China Sea Monsoon in 1998. The GCE model also includes the same PLACE and radiation scheme used in the RELACS. A detailed comparison between the results from the GCE model and RELACS will be performed.

Mesoscale Convective Systems in SCSMEX: Simulated by a Regional Climate Model and a Cloud Resolving Model

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Wang, Y.; Lau, W.; Jia, Y.; Johnson, D.; Shie, C.-L.; Einaudi, Franco (Technical Monitor)

2001-01-01

A Regional Land-Atmosphere Climate Simulation (RELACS) System is being developed and implemented at NASA Goddard Space Flight Center. One of the major goals of RELACS is to use a regional scale model with improved physical processes, in particular land-related processes, to understand the role of the land surface and its interaction with convection and radiation as well as the water and energy cycles in Indo-China/South China Sea (SCS)/China, North America and South America. The Penn State/NCAR MM5 atmospheric modeling system, a state of the art atmospheric numerical model designed to simulate regional weather and climate, has been successfully coupled to the Goddard Parameterization for Land-Atmosphere-Cloud Exchange (PLACE) land surface model, PLACE allows for the effect A vegetation, and thus important physical processes such as evapotranspiration and interception are included. The PLACE model incorporates vegetation type and has been shown in international comparisons to accurately predict evapotranspiration and runoff over a wide variety of land surfaces. The coupling of MM5 and PLACE creates a numerical modeling system with the potential to more realistically simulate the atmosphere and land surface processes including land-sea interaction, regional circulations such as monsoons, and flash flood events. RELACS has been used to simulate the onset of the South China Sea Monsoon in 1986, 1991 and 1998. Sensitivity tests on various land surface models, cumulus parameterization schemes (CPSs), sea surface temperature (SST) variations and midlatitude influences have been performed. These tests have indicated that the land surface model has a major impact on the circulation over the South China Sea. CPSs can effect the precipitation pattern while SST variation can effect the precipitation amounts over both land and ocean. RELACS has also been used to understand the soil-precipitation interaction and feedback associated with a flood event that occurred in and around China's Yantz River during 1998. The exact location (region) of the flooding can be effected by the soil-rainfall feedback. Also, the Goddard Cumulus Ensemble (GCE) model which allows for realistic moist processes as well as explicit interactions between cloud and radiation, and cloud and surface processes will be used to simulate convective systems associated with the onset of the South China Sea Monsoon in 1998. The GCE model also includes the same PLACE and radiation scheme used in the RELACS. A detailed comparison between the results from the GCE model and RELACS will be performed.

Beyond conventional dose-response curves: Sensorgram comparison in SPR allows single concentration activity and similarity assessment.

PubMed

Gassner, C; Karlsson, R; Lipsmeier, F; Moelleken, J

2018-05-30

Previously we have introduced two SPR-based assay principles (dual-binding assay and bridging assay), which allow the determination of two out of three possible interaction parameters for bispecific molecules within one assay setup: two individual interactions to both targets, and/or one simultaneous/overall interaction, which potentially reflects the inter-dependency of both individual binding events. However, activity and similarity are determined by comparing report points over a concentration range, which also mirrors the way data is generated by conventional ELISA-based methods So far, binding kinetics have not been specifically considered in generic approaches for activity assessment. Here, we introduce an improved slope-ratio model which, together with a sensorgram comparison based similarity assessment, allows the development of a detailed, USP-conformal ligand binding assay using only a single sample concentration. We compare this novel analysis method to the usual concentration-range approach for both SPR-based assay principles and discuss its impact on data quality and increased sample throughput. Copyright © 2018 Elsevier B.V. All rights reserved.

Comparison of a polymeric pseudostationary phase in EKC with ODS stationary phase in RP-HPLC.

PubMed

Ni, Xinjiong; Zhang, Min; Xing, Xiaoping; Cao, Yuhua; Cao, Guangqun

2018-01-01

Poly(stearyl methacrylate-co-methacrylic acid) (P(SMA-co-MAA)) was induced as pseudostationary phase (PSP) in electrokinetic chromatography (EKC). The n-octadecyl groups in SMA were the same as that in octadecylsilane (ODS) C18 column. Thus, the present work focused on the comparison of selectivity between polymeric PSP and ODS stationary phase (SP), and the effect of organic modifiers on the selectivity of polymeric PSP and ODS SP. 1-butanol could directly interacted with PSP as a Class I modifier, and improved both of the methylene selectivity and polar group selectivity. When the analysis times were similar, the polymeric PSP exhibited better methylene selectivity and polar group selectivity. Although the hydrophobic groups were similar, the substituted benzenes elution order was different between polymeric PSP and ODS SP. Linear solvation energy relationships (LSER) model analysis found that polymeric PSP and ODS SP exhibited two same key factors in selectivity: hydrophobic interaction and hydrogen bonding acidity. But polymeric PSP exhibited relatively strong n- and π-electrons interaction to the analytes. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling of a UV laser beam—silicon nitride interaction

NASA Astrophysics Data System (ADS)

Dgheim, J. A.

2016-11-01

A numerical model is developed to study heat and radiation transfers during the interaction between a UV laser beam and silicon nitride. The laser beam has temporal Gaussian or Gate shapes of a wavelength of 247 nm, with pulse duration of 27 ns. The mathematical model is based on the heat equation coupled to Lambert-Beer relationship by taking into account the conduction, convection and radiation phenomena. The resulting equations are schemed by the finite element method. Comparison with the literature shows qualitative and quantitative agreements. The investigated parameters are the temperature, the timing of the melting process and the melting phase thickness. The effects of the laser fluences, ranging from 500 to 16 000 J.m-2, the Gaussian and Gate shapes on the heat transfer, and the melting phenomenon are studied.

Structure of neutron star crusts from new Skyrme effective interactions constrained by chiral effective field theory

NASA Astrophysics Data System (ADS)

Lim, Yeunhwan; Holt, Jeremy W.

2017-06-01

We investigate the structure of neutron star crusts, including the crust-core boundary, based on new Skyrme mean field models constrained by the bulk-matter equation of state from chiral effective field theory and the ground-state energies of doubly-magic nuclei. Nuclear pasta phases are studied using both the liquid drop model as well as the Thomas-Fermi approximation. We compare the energy per nucleon for each geometry (spherical nuclei, cylindrical nuclei, nuclear slabs, cylindrical holes, and spherical holes) to obtain the ground state phase as a function of density. We find that the size of the Wigner-Seitz cell depends strongly on the model parameters, especially the coefficients of the density gradient interaction terms. We employ also the thermodynamic instability method to check the validity of the numerical solutions based on energy comparisons.

Simulations of Bluff Body Flow Interaction for Noise Source Modeling

NASA Technical Reports Server (NTRS)

Khorrami, Medi R.; Lockard David P.; Choudhari, Meelan M.; Jenkins, Luther N.; Neuhart, Dan H.; McGinley, Catherine B.

2006-01-01

The current study is a continuation of our effort to characterize the details of flow interaction between two cylinders in a tandem configuration. This configuration is viewed to possess many of the pertinent flow features of the highly interactive unsteady flow field associated with the main landing gear of large civil transports. The present effort extends our previous two-dimensional, unsteady, Reynolds Averaged Navier-Stokes computations to three dimensions using a quasilaminar, zonal approach, in conjunction with a two-equation turbulence model. Two distinct separation length-to-diameter ratios of L/D = 3.7 and 1.435, representing intermediate and short separation distances between the two cylinders, are simulated. The Mach 0.166 simulations are performed at a Reynolds number of Re = 1.66 105 to match the companion experiments at NASA Langley Research Center. Extensive comparisons with the measured steady and unsteady surface pressure and off-surface particle image velocimetry data show encouraging agreement. Both prominent and some of the more subtle trends in the mean and fluctuating flow fields are correctly predicted. Both computations and the measured data reveal a more robust and energetic shedding process at L/D = 3.7 in comparison with the weaker shedding in the shorter separation case of L/D = 1.435. The vortex shedding frequency based on the computed surface pressure spectra is in reasonable agreement with the measured Strouhal frequency.

The additive and interactive effects of parenting style and temperament in obese youth seeking treatment

PubMed Central

Zeller, MH; Boles, RE; Reiter-Purtill, J

2009-01-01

Objective To examine maternal parenting behaviors, child temperament and their potential interactions in families of obese children and demographically similar families of nonoverweight children. Design A total of 77 obese youth (M body mass index (BMI) z-score values, zBMI = 2.4; ages 8–16, 59% female, 50% African American) and their parents were recruited from a pediatric weight management clinic and compared to 69 families of nonoverweight youth (M zBMI = − 0.03). Comparison youth were classmates of each obese participant matched on gender, race and age. Measurements Maternal report of child temperament, parenting style and anthropometric assessments were obtained. Results Compared to nonoverweight youth, mothers of obese youth described their child as having a more difficult temperament and their parenting style as lower in behavioral control. A logistic regression model indicated that difficult temperament, lower behavioral control and the interaction of low maternal warmth and difficult child temperament were associated with increased odds of a child being classified as obese. Conclusions Treatment-seeking obese youth and their parents are characterized by different parent and child factors when compared to nonoverweight comparison families. These findings direct investigators to test more complex models of the relation between parent and child characteristics and their mutual role in the weight-related behavior change process. PMID:18698318

Quantifying the indirect impacts of climate on agriculture: an inter-method comparison

NASA Astrophysics Data System (ADS)

Calvin, Kate; Fisher-Vanden, Karen

2017-11-01

Climate change and increases in CO2 concentration affect the productivity of land, with implications for land use, land cover, and agricultural production. Much of the literature on the effect of climate on agriculture has focused on linking projections of changes in climate to process-based or statistical crop models. However, the changes in productivity have broader economic implications that cannot be quantified in crop models alone. How important are these socio-economic feedbacks to a comprehensive assessment of the impacts of climate change on agriculture? In this paper, we attempt to measure the importance of these interaction effects through an inter-method comparison between process models, statistical models, and integrated assessment model (IAMs). We find the impacts on crop yields vary widely between these three modeling approaches. Yield impacts generated by the IAMs are 20%-40% higher than the yield impacts generated by process-based or statistical crop models, with indirect climate effects adjusting yields by between -12% and +15% (e.g. input substitution and crop switching). The remaining effects are due to technological change.

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Glaessgen, E. H.; Ingraffea, A. R.; Aquino, W. A.

2009-01-01

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

Revisiting Turbulence Model Validation for High-Mach Number Axisymmetric Compression Corner Flows

NASA Technical Reports Server (NTRS)

Georgiadis, Nicholas J.; Rumsey, Christopher L.; Huang, George P.

2015-01-01

Two axisymmetric shock-wave/boundary-layer interaction (SWBLI) cases are used to benchmark one- and two-equation Reynolds-averaged Navier-Stokes (RANS) turbulence models. This validation exercise was executed in the philosophy of the NASA Turbulence Modeling Resource and the AIAA Turbulence Model Benchmarking Working Group. Both SWBLI cases are from the experiments of Kussoy and Horstman for axisymmetric compression corner geometries with SWBLI inducing flares of 20 and 30 degrees, respectively. The freestream Mach number was approximately 7. The RANS closures examined are the Spalart-Allmaras one-equation model and the Menter family of kappa - omega two equation models including the Baseline and Shear Stress Transport formulations. The Wind-US and CFL3D RANS solvers are employed to simulate the SWBLI cases. Comparisons of RANS solutions to experimental data are made for a boundary layer survey plane just upstream of the SWBLI region. In the SWBLI region, comparisons of surface pressure and heat transfer are made. The effects of inflow modeling strategy, grid resolution, grid orthogonality, turbulent Prandtl number, and code-to-code variations are also addressed.

One-dimensional modelling of the interactions between heavy rainfall-runoff in an urban area and flooding flows from sewer networks and rivers.

PubMed

Kouyi, G Lipeme; Fraisse, D; Rivière, N; Guinot, V; Chocat, B

2009-01-01

Many investigations have been carried out in order to develop models which allow the linking of complex physical processes involved in urban flooding. The modelling of the interactions between overland flows on streets and flooding flows from rivers and sewer networks is one of the main objectives of recent and current research programs in hydraulics and urban hydrology. This paper outlines the original one-dimensional linking of heavy rainfall-runoff in urban areas and flooding flows from rivers and sewer networks under the RIVES project framework (Estimation of Scenario and Risks of Urban Floods). The first part of the paper highlights the capacity of Canoe software to simulate the street flows. In the second part, we show the original method of connection which enables the modelling of interactions between processes in urban flooding. Comparisons between simulated results and the results of Despotovic et al. or Gomez & Mur show a good agreement for the calibrated one-dimensional connection model. The connection operates likes a manhole with the orifice/weir coefficients used as calibration parameters. The influence of flooding flows from river was taken into account as a variable water depth boundary condition.

Fluid-Structure Interaction Effects on Mass Flow Rates in Solid Rocket Motors

DTIC Science & Technology

2015-09-02

FEA ) is explored. A propellant flap in a cross flow is analyzed. Comparisons are made between an analytical solution, a solely CFD solution, a manual...finite element analysis ( FEA ) is explored.  A  propellant flap in a cross flow is analyzed.  Comparisons are made between an analytical  solution, a...Condition Zones ..................................................................... 11  Figure 6: Pressure Boundary Condition Applied to  FEA  model

Analysis and prediction of Multiple-Site Damage (MSD) fatigue crack growth

NASA Technical Reports Server (NTRS)

Dawicke, D. S.; Newman, J. C., Jr.

1992-01-01

A technique was developed to calculate the stress intensity factor for multiple interacting cracks. The analysis was verified through comparison with accepted methods of calculating stress intensity factors. The technique was incorporated into a fatigue crack growth prediction model and used to predict the fatigue crack growth life for multiple-site damage (MSD). The analysis was verified through comparison with experiments conducted on uniaxially loaded flat panels with multiple cracks. Configuration with nearly equal and unequal crack distribution were examined. The fatigue crack growth predictions agreed within 20 percent of the experimental lives for all crack configurations considered.

Anxiety, social skills, friendship quality, and peer victimization: an integrated model.

PubMed

Crawford, A Melissa; Manassis, Katharina

2011-10-01

This cross-sectional study investigated whether anxiety and social functioning interact in their prediction of peer victimization. A structural equation model linking anxiety, social skills, and friendship quality to victimization was tested separately for children with anxiety disorders and normal comparison children to explore whether the processes involved in victimization differ for these groups. Participants were 8-14 year old children: 55 (34 boys, 21 girls) diagnosed with an anxiety disorder and 85 (37 boys, 48 girls) normal comparison children. The final models for both groups yielded two independent pathways to victimization: (a) anxiety independently predicted being victimized; and (b) poor social skills predicted lower friendship quality, which in turn, placed a child at risk for victimization. These findings have important implications for the treatment of childhood anxiety disorders and for school-based anti-bullying interventions, but replication with larger samples is indicated. Copyright © 2011 Elsevier Ltd. All rights reserved.

A review of recent research on improvement of physical parameterizations in the GLA GCM

NASA Technical Reports Server (NTRS)

Sud, Y. C.; Walker, G. K.

1990-01-01

A systematic assessment of the effect of a series of improvements in physical parameterizations of the Goddard Laboratory for Atmospheres (GLA) general circulation model (GCM) are summarized. The implementation of the Simple Biosphere Model (SiB) in the GCM is followed by a comparison of SiB GCM simulations with that of the earlier slab soil hydrology GCM (SSH-GCM) simulations. In the Sahelian context, the biogeophysical component of desertification was analyzed for SiB-GCM simulations. Cumulus parameterization is found to be the primary determinant of the organization of the simulated tropical rainfall of the GLA GCM using Arakawa-Schubert cumulus parameterization. A comparison of model simulations with station data revealed excessive shortwave radiation accompanied by excessive drying and heating to the land. The perpetual July simulations with and without interactive soil moisture shows that 30 to 40 day oscillations may be a natural mode of the simulated earth atmosphere system.

Simulating Visual Attention Allocation of Pilots in an Advanced Cockpit Environment

NASA Technical Reports Server (NTRS)

Frische, F.; Osterloh, J.-P.; Luedtke, A.

2011-01-01

This paper describes the results of experiments conducted with human line pilots and a cognitive pilot model during interaction with a new 40 Flight Management System (FMS). The aim of these experiments was to gather human pilot behavior data in order to calibrate the behavior of the model. Human behavior is mainly triggered by visual perception. Thus, the main aspect was to setup a profile of human pilots' visual attention allocation in a cockpit environment containing the new FMS. We first performed statistical analyses of eye tracker data and then compared our results to common results of familiar analyses in standard cockpit environments. The comparison has shown a significant influence of the new system on the visual performance of human pilots. Further on, analyses of the pilot models' visual performance have been performed. A comparison to human pilots' visual performance revealed important improvement potentials.

Director gliding in a nematic liquid crystal layer: Quantitative comparison with experiments

NASA Astrophysics Data System (ADS)

Mema, E.; Kondic, L.; Cummings, L. J.

2018-03-01

The interaction between nematic liquid crystals and polymer-coated substrates may lead to slow reorientation of the easy axis (so-called "director gliding") when a prolonged external field is applied. We consider the experimental evidence of zenithal gliding observed by Joly et al. [Phys. Rev. E 70, 050701 (2004), 10.1103/PhysRevE.70.050701] and Buluy et al. [J. Soc. Inf. Disp. 14, 603 (2006), 10.1889/1.2235686] as well as azimuthal gliding observed by S. Faetti and P. Marianelli [Liq. Cryst. 33, 327 (2006), 10.1080/02678290500512227], and we present a simple, physically motivated model that captures the slow dynamics of gliding, both in the presence of an electric field and after the electric field is turned off. We make a quantitative comparison of our model results and the experimental data and conclude that our model explains the gliding evolution very well.

A comparison of BPMN 2.0 with other notations for manufacturing processes

NASA Astrophysics Data System (ADS)

García-Domínguez, A.; Marcos, Mariano; Medina, I.

2012-04-01

In order to study their current practices and improve on them, manufacturing firms need to view their processes from several viewpoints at various abstraction levels. Several notations have been developed for this purpose, such as Value Stream Mappings or IDEF models. More recently, the BPMN 2.0 standard from the Object Management Group has been proposed for modeling business processes. A process organizes several activities (manual or automatic) into a single higher-level entity, which can be reused elsewhere in the organization. Its potential for standardizing business interactions is well-known, but there is little work on using BPMN 2.0 to model manufacturing processes. In this work some of the previous notations are outlined and BPMN 2.0 is positioned among them after discussing it in more depth. Some guidelines on using BPMN 2.0 for manufacturing are offered, and its advantages and disadvantages in comparison with the other notations are presented.

Point charge representation of multicenter multipole moments in calculation of electrostatic properties

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

1993-01-01

Distributed Point Charge Models (PCM) for CO, (H2O)2, and HS-SH molecules have been computed from analytical expressions using multi-center multipole moments. The point charges (set of charges including both atomic and non-atomic positions) exactly reproduce both molecular and segmental multipole moments, thus constituting an accurate representation of the local anisotropy of electrostatic properties. In contrast to other known point charge models, PCM can be used to calculate not only intermolecular, but also intramolecular interactions. Comparison of these results with more accurate calculations demonstrated that PCM can correctly represent both weak and strong (intramolecular) interactions, thus indicating the merit of extending PCM to obtain improved potentials for molecular mechanics and molecular dynamics computational methods.

Analysis of airfoil transitional separation bubbles

NASA Technical Reports Server (NTRS)

Davis, R. L.; Carter, J. E.

1984-01-01

A previously developed local inviscid-viscous interaction technique for the analysis of airfoil transitional separation bubbles, ALESEP (Airfoil Leading Edge Separation) has been modified to utilize a more accurate windward finite difference procedure in the reversed flow region, and a natural transition/turbulence model has been incorporated for the prediction of transition within the separation bubble. Numerous calculations and experimental comparisons are presented to demonstrate the effects of the windward differencing scheme and the natural transition/turbulence model. Grid sensitivity and convergence capabilities of this inviscid-viscous interaction technique are briefly addressed. A major contribution of this report is that with the use of windward differencing, a second, counter-rotating eddy has been found to exist in the wall layer of the primary separation bubble.

Self-tuning multivariable pole placement control of a multizone crystal growth furnace

NASA Technical Reports Server (NTRS)

Batur, C.; Sharpless, R. B.; Duval, W. M. B.; Rosenthal, B. N.

1992-01-01

This paper presents the design and implementation of a multivariable self-tuning temperature controller for the control of lead bromide crystal growth. The crystal grows inside a multizone transparent furnace. There are eight interacting heating zones shaping the axial temperature distribution inside the furnace. A multi-input, multi-output furnace model is identified on-line by a recursive least squares estimation algorithm. A multivariable pole placement controller based on this model is derived and implemented. Comparison between single-input, single-output and multi-input, multi-output self-tuning controllers demonstrates that the zone-to-zone interactions can be minimized better by a multi-input, multi-output controller design. This directly affects the quality of crystal grown.

Linear-quadratic dose kinetics or dose-dependent repair/misrepair

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

Braby, L.A.; Nelson, J.M.

1991-09-01

Models for the response of cells exposed to low LET radiation can be grouped into three general types on the basis of assumptions about the nature of the interaction which results in the shoulder of the survival curve. The three forms of interaction are (1) sublethal damage becoming lethal, (2) potentially lethal damage becoming irreparable, and (3) potentially lethal damage saturating'' a repair system. The effects that these three forms of interaction would have on the results of specific types of experiments are investigated. Comparisons with experimental results indicate that only the second type is significant in determining the responsemore » of typical cultured mammalian cells. 5 refs., 2 figs.« less

Comparison of isocratic retention models for hydrophilic interaction liquid chromatographic separation of native and fluorescently labeled oligosaccharides.

PubMed

Česla, Petr; Vaňková, Nikola; Křenková, Jana; Fischer, Jan

2016-03-18

In this work, we have investigated retention of maltooligosaccharides and their fluorescent derivatives in hydrophilic interaction liquid chromatography using four different stationary phases. The non-derivatized maltooligosaccharides (maltose to maltoheptaose) and their derivatives with 2-aminobenzoic acid, 2-aminobenzamide, 2-aminopyridine and 8-aminonaphthalene-1,3,6-trisulfonic acid were analyzed on silica gel, aminopropyl silica, amide (carbamoyl-bonded silica) and ZIC-HILIC zwitterionic sulfobetain bonded phase. The partitioning of the analytes between the bulk mobile phase and adsorbed water-rich layer, polar and ionic interactions of analytes with stationary phase have been evaluated and compared. The effects of the mobile phase additives (0.1% (v/v) of acetic acid and ammonium acetate in concentration range 5-30 mmol L(-1)) on retention were described. The suitability of different models for prediction of retention was tested including linear solvent strength model, quadratic model, mixed-mode model, and empirical Neue-Kuss model. The mixed-mode model was extended to the parameter describing the contribution of monomeric glucose unit to the retention of non-derivatized and derivatized maltooligosaccharides, which was used for evaluation of contribution of both, oligosaccharide backbone and end-group to retention. Copyright © 2016 Elsevier B.V. All rights reserved.

Coupling a three-dimensional subsurface flow model with a land surface model to simulate stream-aquifer-land interactions

NASA Astrophysics Data System (ADS)

Huang, M.; Bisht, G.; Zhou, T.; Chen, X.; Dai, H.; Hammond, G. E.; Riley, W. J.; Downs, J.; Liu, Y.; Zachara, J. M.

2016-12-01

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively-parallel multi-physics reactive tranport model (PFLOTRAN). The coupled model (CLM-PFLOTRAN) is applied to a 400m×400m study domain instrumented with groundwater monitoring wells in the Hanford 300 Area along the Columbia River. CLM-PFLOTRAN simulations are performed at three different spatial resolutions over the period 2011-2015 to evaluate the impact of spatial resolution on simulated variables. To demonstrate the difference in model simulations with and without lateral subsurface flow, a vertical-only CLM-PFLOTRAN simulation is also conducted for comparison. Results show that the coupled model is skillful in simulating stream-aquifer interactions, and the land-surface energy partitioning can be strongly modulated by groundwater-river water interactions in high water years due to increased soil moisture availability caused by elevated groundwater table. In addition, spatial resolution does not seem to impact the land surface energy flux simulations, although it is a key factor for accurately estimating the mass exchange rates at the boundaries and associated biogeochemical reactions in the aquifer. The coupled model developed in this study establishes a solid foundation for understanding co-evolution of hydrology and biogeochemistry along the river corridors under historical and future hydro-climate changes.

Bovine and human insulin adsorption at lipid monolayers: a comparison

NASA Astrophysics Data System (ADS)

Mauri, Sergio; Pandey, Ravindra; Rzeznicka, Izabela; Lu, Hao; Bonn, Mischa; Weidner, Tobias

2015-07-01

Insulin is a widely used peptide in protein research and it is utilised as a model peptide to understand the mechanics of fibril formation, which is believed to be the cause of diseases such as Alzheimer and Creutzfeld-Jakob syndrome. Insulin has been used as a model system due to its biomedical relevance, small size and relatively simple tertiary structure. The adsorption of insu lin on a variety of surfaces has become the focus of numerous studies lately. These works have helped in elucidating the consequence of surface/protein hydrophilic/hydrophobic interaction in terms of protein refolding and aggregation. Unfortunately, such model surfaces differ significantly from physiological surfaces. Here we spectroscopically investigate the adsorption of insulin at lipid monolayers, to further our understanding of the interaction of insulin with biological surfaces. In particular we study the effect of minor mutations of insulin’s primary amino acid sequence on its interaction with 1,2-Dipalmitoyl-sn-glycero-3-phosphoglycerol (DPPG) model lipid layers. We probe the structure of bovine and human insulin at the lipid/water interface using sum frequency generation spectroscopy (SFG). The SFG experiments are complemented with XPS analysis of Langmuir-Schaefer deposited lipid/insulin films. We find that bovine and human insulin, even though very similar in sequence, show a substantially different behavior when interacting with lipid films.

Reference interaction site model and optimized perturbation theories of colloidal dumbbells with increasing anisotropy

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

Munaò, Gianmarco, E-mail: gmunao@unime.it; Costa, Dino; Caccamo, Carlo

We investigate thermodynamic properties of anisotropic colloidal dumbbells in the frameworks provided by the Reference Interaction Site Model (RISM) theory and an Optimized Perturbation Theory (OPT), this latter based on a fourth-order high-temperature perturbative expansion of the free energy, recently generalized to molecular fluids. Our model is constituted by two identical tangent hard spheres surrounded by square-well attractions with same widths and progressively different depths. Gas-liquid coexistence curves are obtained by predicting pressures, free energies, and chemical potentials. In comparison with previous simulation results, RISM and OPT agree in reproducing the progressive reduction of the gas-liquid phase separation as themore » anisotropy of the interaction potential becomes more pronounced; in particular, the RISM theory provides reasonable predictions for all coexistence curves, bar the strong anisotropy regime, whereas OPT performs generally less well. Both theories predict a linear dependence of the critical temperature on the interaction strength, reproducing in this way the mean-field behavior observed in simulations; the critical density—that drastically drops as the anisotropy increases—turns to be less accurate. Our results appear as a robust benchmark for further theoretical studies, in support to the simulation approach, of self-assembly in model colloidal systems.« less

Laboratory modeling and analysis of aircraft-lightning interactions

NASA Technical Reports Server (NTRS)

Turner, C. D.; Trost, T. F.

1982-01-01

Modeling studies of the interaction of a delta wing aircraft with direct lightning strikes were carried out using an approximate scale model of an F-106B. The model, which is three feet in length, is subjected to direct injection of fast current pulses supplied by wires, which simulate the lightning channel and are attached at various locations on the model. Measurements are made of the resulting transient electromagnetic fields using time derivative sensors. The sensor outputs are sampled and digitized by computer. The noise level is reduced by averaging the sensor output from ten input pulses at each sample time. Computer analysis of the measured fields includes Fourier transformation and the computation of transfer functions for the model. Prony analysis is also used to determine the natural frequencies of the model. Comparisons of model natural frequencies extracted by Prony analysis with those for in flight direct strike data usually show lower damping in the in flight case. This is indicative of either a lightning channel with a higher impedance than the wires on the model, only one attachment point, or short streamers instead of a long channel.

Impacts of Interactive Stratospheric Chemistry on Antarctic and Southern Ocean Climate Change in the Goddard Earth Observing System Version 5 (GEOS-5)

NASA Technical Reports Server (NTRS)

Li, Feng; Vikhliaev, Yury V.; Newman, Paul A.; Pawson, Steven; Perlwitz, Judith; Waugh, Darryn W.; Douglass, Anne R.

2016-01-01

Stratospheric ozone depletion plays a major role in driving climate change in the Southern Hemisphere. To date, many climate models prescribe the stratospheric ozone layer's evolution using monthly and zonally averaged ozone fields. However, the prescribed ozone underestimates Antarctic ozone depletion and lacks zonal asymmetries. In this study we investigate the impact of using interactive stratospheric chemistry instead of prescribed ozone on climate change simulations of the Antarctic and Southern Ocean. Two sets of 1960-2010 ensemble transient simulations are conducted with the coupled ocean version of the Goddard Earth Observing System Model, version 5: one with interactive stratospheric chemistry and the other with prescribed ozone derived from the same interactive simulations. The model's climatology is evaluated using observations and reanalysis. Comparison of the 1979-2010 climate trends between these two simulations reveals that interactive chemistry has important effects on climate change not only in the Antarctic stratosphere, troposphere, and surface, but also in the Southern Ocean and Antarctic sea ice. Interactive chemistry causes stronger Antarctic lower stratosphere cooling and circumpolar westerly acceleration during November-December-January. It enhances stratosphere-troposphere coupling and leads to significantly larger tropospheric and surface westerly changes. The significantly stronger surface wind stress trends cause larger increases of the Southern Ocean Meridional Overturning Circulation, leading to year-round stronger ocean warming near the surface and enhanced Antarctic sea ice decrease.

Coarse grained study of pluronic F127: Comparison with shorter co-polymers in its interaction with lipid bilayers and self-aggregation in water

NASA Astrophysics Data System (ADS)

Wood, I.; Martini, M. F.; Albano, J. M. R.; Cuestas, M. L.; Mathet, V. L.; Pickholz, M.

2016-04-01

The aim of this work is to understand the interactions of the poloxamer Pluronic F127, with lipid bilayers and its ability to self-associate in an aqueous environment. Molecular dynamics simulations at the coarse-grain scale were performed to address the behavior of single Pluronic F127 and shorter poloxamers unimers in palmitoyl-oleoyl-phosphatidyl-choline model membranes. According to the initial conditions and the poly-ethylene oxide/poly-propylene oxide composition, in water phase the unimer chain collapses into a coil conformation or adopts an interphacial U-shaped - or membrane spanning - distribution. A combination of poly-propylene oxide length, and the poly-ethylene oxide ability to cover poly-propylene oxide, is determinant for the conformation adopted by the unimer in each phase. Results of the simulations showed molecular evidence of strong interaction between Pluronic F127 and model membranes both in stable U-shaped and span conformations. The knowledge of this interaction could contribute to improve drug permeation. Additionally, we investigated the aggregation of one hundred Pluronic F127 unimers in water forming a micelle-like structure, suitable to be used as drug delivery system models.

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.

Development of molecular closures for the reference interaction site model theory with application to square-well and Lennard-Jones homonuclear diatomics.

PubMed

Munaò, Gianmarco; Costa, Dino; Caccamo, Carlo

2016-10-19

Inspired by significant improvements obtained for the performances of the polymer reference interaction site model (PRISM) theory of the fluid phase when coupled with 'molecular closures' (Schweizer and Yethiraj 1993 J. Chem. Phys. 98 9053), we exploit a matrix generalization of this concept, suitable for the more general RISM framework. We report a preliminary test of the formalism, as applied to prototype square-well homonuclear diatomics. As for the structure, comparison with Monte Carlo shows that molecular closures are slightly more predictive than their 'atomic' counterparts, and thermodynamic properties are equally accurate. We also devise an application of molecular closures to models interacting via continuous, soft-core potentials, by using well established prescriptions in liquid state perturbation theories. In the case of Lennard-Jones dimers, our scheme definitely improves over the atomic one, providing semi-quantitative structural results, and quite good estimates of internal energy, pressure and phase coexistence. Our finding paves the way to a systematic employment of molecular closures within the RISM framework to be applied to more complex systems, such as molecules constituted by several non-equivalent interaction sites.

Regression calibration for models with two predictor variables measured with error and their interaction, using instrumental variables and longitudinal data.

PubMed

Strand, Matthew; Sillau, Stefan; Grunwald, Gary K; Rabinovitch, Nathan

2014-02-10

Regression calibration provides a way to obtain unbiased estimators of fixed effects in regression models when one or more predictors are measured with error. Recent development of measurement error methods has focused on models that include interaction terms between measured-with-error predictors, and separately, methods for estimation in models that account for correlated data. In this work, we derive explicit and novel forms of regression calibration estimators and associated asymptotic variances for longitudinal models that include interaction terms, when data from instrumental and unbiased surrogate variables are available but not the actual predictors of interest. The longitudinal data are fit using linear mixed models that contain random intercepts and account for serial correlation and unequally spaced observations. The motivating application involves a longitudinal study of exposure to two pollutants (predictors) - outdoor fine particulate matter and cigarette smoke - and their association in interactive form with levels of a biomarker of inflammation, leukotriene E4 (LTE 4 , outcome) in asthmatic children. Because the exposure concentrations could not be directly observed, we used measurements from a fixed outdoor monitor and urinary cotinine concentrations as instrumental variables, and we used concentrations of fine ambient particulate matter and cigarette smoke measured with error by personal monitors as unbiased surrogate variables. We applied the derived regression calibration methods to estimate coefficients of the unobserved predictors and their interaction, allowing for direct comparison of toxicity of the different pollutants. We used simulations to verify accuracy of inferential methods based on asymptotic theory. Copyright © 2013 John Wiley & Sons, Ltd.

Using a quality improvement model to enhance providers' performance in maternal and newborn health care: a post-only intervention and comparison design.

PubMed

Ayalew, Firew; Eyassu, Gizachew; Seyoum, Negash; van Roosmalen, Jos; Bazant, Eva; Kim, Young Mi; Tekleberhan, Alemnesh; Gibson, Hannah; Daniel, Ephrem; Stekelenburg, Jelle

2017-04-12

The Standards Based Management and Recognition (SBM-R © ) approach to quality improvement has been implemented in Ethiopia to strengthen routine maternal and newborn health (MNH) services. This evaluation assessed the effect of the intervention on MNH providers' performance of routine antenatal care (ANC), uncomplicated labor and delivery and immediate postnatal care (PNC) services. A post-only evaluation design was conducted at three hospitals and eight health centers implementing SBM-R and the same number of comparison health facilities. Structured checklists were used to observe MNH providers' performance on ANC (236 provider-client interactions), uncomplicated labor and delivery (226 provider-client interactions), and immediate PNC services in the six hours after delivery (232 provider-client interactions); observations were divided equally between intervention and comparison groups. Main outcomes were provider performance scores, calculated as the percentage of essential tasks in each service area completed by providers. Multilevel analysis was used to calculate adjusted mean percentage performance scores and standard errors to compare intervention and comparison groups. There was no statistically significant difference between intervention and comparison facilities in overall mean performance scores for ANC services (63.4% at intervention facilities versus 61.0% at comparison facilities, p = 0.650) or in any specific ANC skill area. MNH providers' overall mean performance score for uncomplicated labor and delivery care was 11.9 percentage points higher in the intervention than in the comparison group (77.5% versus 65.6%; p = 0.002). Overall mean performance scores for immediate PNC were 22.2 percentage points higher at intervention than at comparison facilities (72.8% versus 50.6%; p = 0.001); and there was a significant difference of 22 percentage points between intervention and comparison facilities for each PNC skill area: care for the newborn and health check for the mother. The SBM-R quality improvement intervention made a significant positive impact on MNH providers' performance during labor and delivery and immediate PNC services, but not during ANC services. Scaling up the intervention to other facilities and regions may increase the availability of good quality MNH services across Ethiopia. The findings will also guide implementation of the government's five-year (2015-2020) health sector transformation plan and health care quality strategies needed to meet the country's MNH goals.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2012-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA). These dynamic models were developed using the Aspen Custom Modeler (Registered TradeMark) and Aspen Plus(Registered TradeMark) process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Interactional leader–follower sensorimotor communication strategies during repetitive joint actions

PubMed Central

Candidi, Matteo; Curioni, Arianna; Donnarumma, Francesco; Sacheli, Lucia Maria; Pezzulo, Giovanni

2015-01-01

Non-verbal communication is the basis of animal interactions. In dyadic leader–follower interactions, leaders master the ability to carve their motor behaviour in order to ‘signal’ their future actions and internal plans while these signals influence the behaviour of follower partners, who automatically tend to imitate the leader even in complementary interactions. Despite their usefulness, signalling and imitation have a biomechanical cost, and it is unclear how this cost–benefits trade-off is managed during repetitive dyadic interactions that present learnable regularities. We studied signalling and imitation dynamics (indexed by movement kinematics) in pairs of leaders and followers during a repetitive, rule-based, joint action. Trial-by-trial Bayesian model comparison was used to evaluate the relation between signalling, imitation and pair performance. The different models incorporate different hypotheses concerning the factors (past interactions versus online movements) influencing the leader's signalling (or follower's imitation) kinematics. This approach showed that (i) leaders' signalling strategy improves future couple performance, (ii) leaders used the history of past interactions to shape their signalling, (iii) followers' imitative behaviour is more strongly affected by the online movement of the leader. This study elucidates the ways online sensorimotor communication help individuals align their task representations and ultimately improves joint action performance. PMID:26333815

Interactional leader-follower sensorimotor communication strategies during repetitive joint actions.

PubMed

Candidi, Matteo; Curioni, Arianna; Donnarumma, Francesco; Sacheli, Lucia Maria; Pezzulo, Giovanni

2015-09-06

Non-verbal communication is the basis of animal interactions. In dyadic leader-follower interactions, leaders master the ability to carve their motor behaviour in order to 'signal' their future actions and internal plans while these signals influence the behaviour of follower partners, who automatically tend to imitate the leader even in complementary interactions. Despite their usefulness, signalling and imitation have a biomechanical cost, and it is unclear how this cost-benefits trade-off is managed during repetitive dyadic interactions that present learnable regularities. We studied signalling and imitation dynamics (indexed by movement kinematics) in pairs of leaders and followers during a repetitive, rule-based, joint action. Trial-by-trial Bayesian model comparison was used to evaluate the relation between signalling, imitation and pair performance. The different models incorporate different hypotheses concerning the factors (past interactions versus online movements) influencing the leader's signalling (or follower's imitation) kinematics. This approach showed that (i) leaders' signalling strategy improves future couple performance, (ii) leaders used the history of past interactions to shape their signalling, (iii) followers' imitative behaviour is more strongly affected by the online movement of the leader. This study elucidates the ways online sensorimotor communication help individuals align their task representations and ultimately improves joint action performance. © 2015 The Author(s).

Research in atmospheric chemistry and transport

NASA Technical Reports Server (NTRS)

Yung, Y. L.

1982-01-01

The carbon monoxide cycle was studied by incorporating the known CO sources and sinks in a tracer model which used the winds generated by a general circulation model. The photochemical production and loss terms, which depended on OH radical concentrations, were calculated in an interactive fashion. Comparison of the computed global distribution and seasonal variations of CO with observations was used to yield constraints on the distribution and magnitude of the sources and sinks of CO, and the abundance of OH radicals in the troposphere.

Comparison of a Physical and Numerical Mobile-Bed Model of Beach and T-Head Groin Interaction

DTIC Science & Technology

2011-05-01

Hydraulic Centre’s Large Area Basin (LAB), utilizing a set of moveable wave generators capable of providing long-crested waves to match a variety...was conducted manually from a bridge as shown in Figure 4. The location of the transect (Profile 2) is shown in Figure 2. Planform morphology was...4. Physical model oblique view showing profile measurement location and bridge . 2617 The T-head groins and the shore-normal breakwater trunk at the

Modeling the interaction of ultrasound with pores

NASA Technical Reports Server (NTRS)

Lu, Yichi; Wadley, Haydn N. G.; Parthasarathi, Sanjai

1991-01-01

Factors that affect ultrasonic velocity sensing of density during consolidation of metal powders are examined. A comparison is made between experimental results obtained during the final stage of densification and the predictions of models that assume either a spherical or a spheroidal pore shape. It is found that for measurements made at low frequencies during the final stage of densification, relative density (pore fraction) and pore shape are the two most important factors determining the ultrasonic velocity, the effect of pore size is negligible.

Time-domain simulation of nonlinear radiofrequency phenomena

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

Jenkins, Thomas G.; Austin, Travis M.; Smithe, David N.

Nonlinear effects associated with the physics of radiofrequency wave propagation through a plasma are investigated numerically in the time domain, using both fluid and particle-in-cell (PIC) methods. We find favorable comparisons between parametric decay instability scenarios observed on the Alcator C-MOD experiment [J. C. Rost, M. Porkolab, and R. L. Boivin, Phys. Plasmas 9, 1262 (2002)] and PIC models. The capability of fluid models to capture important nonlinear effects characteristic of wave-plasma interaction (frequency doubling, cyclotron resonant absorption) is also demonstrated.

Time-domain simulation of nonlinear radiofrequency phenomena

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Austin, Travis M.; Smithe, David N.; Loverich, John; Hakim, Ammar H.

2013-01-01

Nonlinear effects associated with the physics of radiofrequency wave propagation through a plasma are investigated numerically in the time domain, using both fluid and particle-in-cell (PIC) methods. We find favorable comparisons between parametric decay instability scenarios observed on the Alcator C-MOD experiment [J. C. Rost, M. Porkolab, and R. L. Boivin, Phys. Plasmas 9, 1262 (2002)] and PIC models. The capability of fluid models to capture important nonlinear effects characteristic of wave-plasma interaction (frequency doubling, cyclotron resonant absorption) is also demonstrated.

Towards a more efficient and robust representation of subsurface hydrological processes in Earth System Models

NASA Astrophysics Data System (ADS)

Rosolem, R.; Rahman, M.; Kollet, S. J.; Wagener, T.

2017-12-01

Understanding the impacts of land cover and climate changes on terrestrial hydrometeorology is important across a range of spatial and temporal scales. Earth System Models (ESMs) provide a robust platform for evaluating these impacts. However, current ESMs lack the representation of key hydrological processes (e.g., preferential water flow, and direct interactions with aquifers) in general. The typical "free drainage" conceptualization of land models can misrepresent the magnitude of those interactions, consequently affecting the exchange of energy and water at the surface as well as estimates of groundwater recharge. Recent studies show the benefits of explicitly simulating the interactions between subsurface and surface processes in similar models. However, such parameterizations are often computationally demanding resulting in limited application for large/global-scale studies. Here, we take a different approach in developing a novel parameterization for groundwater dynamics. Instead of directly adding another complex process to an established land model, we examine a set of comprehensive experimental scenarios using a very robust and establish three-dimensional hydrological model to develop a simpler parameterization that represents the aquifer to land surface interactions. The main goal of our developed parameterization is to simultaneously maximize the computational gain (i.e., "efficiency") while minimizing simulation errors in comparison to the full 3D model (i.e., "robustness") to allow for easy implementation in ESMs globally. Our study focuses primarily on understanding both the dynamics for groundwater recharge and discharge, respectively. Preliminary results show that our proposed approach significantly reduced the computational demand while model deviations from the full 3D model are considered to be small for these processes.

Verification of a 2 kWe Closed-Brayton-Cycle Power Conversion System Mechanical Dynamics Model

NASA Technical Reports Server (NTRS)

Ludwiczak, Damian R.; Le, Dzu K.; McNelis, Anne M.; Yu, Albert C.; Samorezov, Sergey; Hervol, Dave S.

2005-01-01

Vibration test data from an operating 2 kWe closed-Brayton-cycle (CBC) power conversion system (PCS) located at the NASA Glenn Research Center was used for a comparison with a dynamic disturbance model of the same unit. This effort was performed to show that a dynamic disturbance model of a CBC PCS can be developed that can accurately predict the torque and vibration disturbance fields of such class of rotating machinery. The ability to accurately predict these disturbance fields is required before such hardware can be confidently integrated onto a spacecraft mission. Accurate predictions of CBC disturbance fields will be used for spacecraft control/structure interaction analyses and for understanding the vibration disturbances affecting the scientific instrumentation onboard. This paper discusses how test cell data measurements for the 2 kWe CBC PCS were obtained, the development of a dynamic disturbance model used to predict the transient torque and steady state vibration fields of the same unit, and a comparison of the two sets of data.

Calculation of tip clearance effects in a transonic compressor rotor

NASA Technical Reports Server (NTRS)

Chima, R. V.

1996-01-01

The flow through the tip clearance region of a transonic compressor rotor (NASA rotor 37) was computed and compared to aerodynamic probe and laser anemometer data. Tip clearance effects were modeled both by gridding the clearance gap and by using a simple periodicity model across the ungridded gap. The simple model was run with both the full gap height, and with half the gap height to simulate a vena-contracta effect. Comparisons between computed and measured performance maps and downstream profiles were used to validate the models and to assess the effects of gap height on the simple clearance model. Recommendations were made concerning the use of the simple clearance model. Detailed comparisons were made between the gridded clearance gap solution and the laser anemometer data near the tip at two operating points. The computer results agreed fairly well with the data but overpredicted the extent of the casing separation and underpredicted the wake decay rate. The computations were then used to describe the interaction of the tip vortex, the passage shock, and the casing boundary layer.

Models of Interacting Supernovae: Understanding the Physics and Probing the Circumstellar Environment

NASA Astrophysics Data System (ADS)

Baron, Edward

"Interacting supernovae" are poorly understood astronomical events with great potential for expanding our understanding of how stars evolve and die, and could provide important clues about the early formation of large-scale structures such as galaxies in the universe. Interacting supernovae occur when a star explodes within a dense cloud of material shed from the star in the course of its evolution. The resulting violent interaction between the expanding supernova explosion and the cloud of circumstellar material can lead to an enormously bright visual display --- indeed, many of the brightest supernovae ever recorded are thought to arise from circumstellar interaction. In order to understand the properties of the progenitor star and the details of the circumstellar interaction, there is a need for theoretical models of interacting supernovae. These simulated computer spectra can be directly compared to the spectra observed by telescopes. These models allow us to probe the physical circumstances that underlie the observations. The spectra of interacting supernovae are dominated by strong, narrow emission lines of light elements such as hydrogen and helium. These narrow lines give Type IIn supernovae their designation. Similarly, objects of Type Ian, Ibn, Icn, and IIn are somewhat distinct, but are all defined by the narrow emission lines that result from the interaction of their expanding envelopes with their surroundings. The photosphere in these supernovae is formed in the material accreted during the coasting phase, and most of the luminosity has its origin from the conversion of kinetic explosion energy into luminosity. Both thermonuclear (Type Ia) and core-collapse (Types Ib/Ic and II) supernovae may be the inner engine. In fact, several Type IIn supernovae at early times have later been classified as Type Ia, Type Ib/c, or Type II as their spectra reveal more details about the nature of the central explosion. As a result of the dominance of the interaction, models of interacting supernovae must take into account descriptions of the hydrodynamical, ionization, and light fronts: a full radiation-hydrodynamical problem. The low densities imply strong departures from thermodynamic equilibrium and, thus, demand a non-LTE treatment in the radiative transfer calculation. We propose a collaboration between the University of Oklahoma (OU) and Florida State University (FSU) to calculate hydrodynamical models, light curves, and NLTE spectra of circumstellar interacting supernovae. We will parameterize the explosion of a massive star, study the hydrodynamical impact onto a circumstellar medium and calculate light curves and spectra. Direct comparison with observed supernovae with give us detailed information on the progenitor star, its mass loss history, and the nature of binary stellar evolution. We will calculate explosion models for some of the stellar structures and the ongoing interaction with the circumstellar material using our radiation hydro code HYDRA and NLTE generalized model atmospheres code PHOENIX. We intend to focus on the physics of interacting supernovae, going beyond the regime where self-similar solutions and phenomenological approaches are valid. This will limit the parameter space that needs to be examined, while still allowing for direct comparison with observations. Since many interacting supernovae are extremely bright, they can be seen at the highest redshifts and are good probes of the darkages. These supernovae will be well observed by upcoming NASA mission JWST as well as ground based surveys such as LSST. The tools for this work are in place: FSU PI Peter Hoeflich has been developing and using the hydrodynamic code HYDRA for over two decades and PI Eddie Baron (OU) has been developing the generalized stellar atmosphere code PHOENIX over the same time period. Baron and Hoeflich have a good working relationship and have cross-compared our codes.

A global sensitivity analysis approach for morphogenesis models.

PubMed

Boas, Sonja E M; Navarro Jimenez, Maria I; Merks, Roeland M H; Blom, Joke G

2015-11-21

Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, non-linear and multi-factorial models with images as output are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the input and the output of such 'black-box' models, giving rise to the need for sensitivity analysis tools. In this paper, we introduce a workflow for a global sensitivity analysis approach to study the impact of single parameters and the interactions between them on the output of morphogenesis models. To demonstrate the workflow, we used a published, well-studied model of vascular morphogenesis. The parameters of this cellular Potts model (CPM) represent cell properties and behaviors that drive the mechanisms of angiogenic sprouting. The global sensitivity analysis correctly identified the dominant parameters in the model, consistent with previous studies. Additionally, the analysis provided information on the relative impact of single parameters and of interactions between them. This is very relevant because interactions of parameters impede the experimental verification of the predicted effect of single parameters. The parameter interactions, although of low impact, provided also new insights in the mechanisms of in silico sprouting. Finally, the analysis indicated that the model could be reduced by one parameter. We propose global sensitivity analysis as an alternative approach to study the mechanisms of morphogenesis. Comparison of the ranking of the impact of the model parameters to knowledge derived from experimental data and from manipulation experiments can help to falsify models and to find the operand mechanisms in morphogenesis. The workflow is applicable to all 'black-box' models, including high-throughput in vitro models in which output measures are affected by a set of experimental perturbations.

Role of water mediated interactions in protein-protein recognition landscapes.

PubMed

Papoian, Garegin A; Ulander, Johan; Wolynes, Peter G

2003-07-30

The energy landscape picture of protein folding and binding is employed to optimize a number of pair potentials for direct and water-mediated interactions in protein complex interfaces. We find that water-mediated interactions greatly complement direct interactions in discriminating against various types of trap interactions that model those present in the cell. We highlight the context dependent nature of knowledge-based binding potentials, as contrasted with the situation for autonomous folding. By performing a Principal Component Analysis (PCA) of the corresponding interaction matrixes, we rationalize the strength of the recognition signal for each combination of the contact type and reference trap states using the differential in the idealized "canonical" amino acid compositions of native and trap layers. The comparison of direct and water-mediated contact potential matrixes emphasizes the importance of partial solvation in stabilizing charged groups in the protein interfaces. Specific water-mediated interresidue interactions are expected to influence significantly the kinetics as well as thermodynamics of protein association.

Input filter compensation for switching regulators

NASA Technical Reports Server (NTRS)

Lee, F. C.

1984-01-01

Problems caused by input filter interaction and conventional input filter design techniques are discussed. The concept of feedforward control is modeled with an input filter and a buck regulator. Experimental measurement and comparison to the analytical predictions is carried out. Transient response and the use of a feedforward loop to stabilize the regulator system is described. Other possible applications for feedforward control are included.

The origin and propagation of VVH primary cosmic ray particles

NASA Technical Reports Server (NTRS)

Blanford, G. E., Jr.; Friedlander, M. W.; Klarmann, J.; Walker, R. M.; Wefel, J. P.

1972-01-01

Several source spectra were constructed from combinations of 4- and s-process nuclei to match the observed charge spectrum of VVH particles. Their propagation was then followed, allowing for interactions and decay, and comparisons were made between the calculated near-earth spectra and those observed during high altitude balloon flights. None of the models gave good agreement with observations.

Implications of Interactions among Society, Education and Technology: A Comparison of Multiple Linear Regression and Multilevel Modeling in Mathematics Achievement Analyses

ERIC Educational Resources Information Center

Deering, Pamela Rose

2014-01-01

This research compares and contrasts two approaches to predictive analysis of three years' of school district data to investigate relationships between student and teacher characteristics and math achievement as measured by the state-mandated Maryland School Assessment mathematics exam. The sample for the study consisted of 3,514 students taught…

Integrated Exoplanet Modeling with the GSFC Exoplanet Modeling & Analysis Center (EMAC)

NASA Astrophysics Data System (ADS)

Mandell, Avi M.; Hostetter, Carl; Pulkkinen, Antti; Domagal-Goldman, Shawn David

2018-01-01

Our ability to characterize the atmospheres of extrasolar planets will be revolutionized by JWST, WFIRST and future ground- and space-based telescopes. In preparation, the exoplanet community must develop an integrated suite of tools with which we can comprehensively predict and analyze observations of exoplanets, in order to characterize the planetary environments and ultimately search them for signs of habitability and life.The GSFC Exoplanet Modeling and Analysis Center (EMAC) will be a web-accessible high-performance computing platform with science support for modelers and software developers to host and integrate their scientific software tools, with the goal of leveraging the scientific contributions from the entire exoplanet community to improve our interpretations of future exoplanet discoveries. Our suite of models will include stellar models, models for star-planet interactions, atmospheric models, planet system science models, telescope models, instrument models, and finally models for retrieving signals from observational data. By integrating this suite of models, the community will be able to self-consistently calculate the emergent spectra from the planet whether from emission, scattering, or in transmission, and use these simulations to model the performance of current and new telescopes and their instrumentation.The EMAC infrastructure will not only provide a repository for planetary and exoplanetary community models, modeling tools and intermodal comparisons, but it will include a "run-on-demand" portal with each software tool hosted on a separate virtual machine. The EMAC system will eventually include a means of running or “checking in” new model simulations that are in accordance with the community-derived standards. Additionally, the results of intermodal comparisons will be used to produce open source publications that quantify the model comparisons and provide an overview of community consensus on model uncertainties on the climates of various planetary targets.

The genetic interacting landscape of 63 candidate genes in Major Depressive Disorder: an explorative study.

PubMed

Lekman, Magnus; Hössjer, Ola; Andrews, Peter; Källberg, Henrik; Uvehag, Daniel; Charney, Dennis; Manji, Husseini; Rush, John A; McMahon, Francis J; Moore, Jason H; Kockum, Ingrid

2014-01-01

Genetic contributions to major depressive disorder (MDD) are thought to result from multiple genes interacting with each other. Different procedures have been proposed to detect such interactions. Which approach is best for explaining the risk of developing disease is unclear. This study sought to elucidate the genetic interaction landscape in candidate genes for MDD by conducting a SNP-SNP interaction analysis using an exhaustive search through 3,704 SNP-markers in 1,732 cases and 1,783 controls provided from the GAIN MDD study. We used three different methods to detect interactions, two logistic regressions models (multiplicative and additive) and one data mining and machine learning (MDR) approach. Although none of the interaction survived correction for multiple comparisons, the results provide important information for future genetic interaction studies in complex disorders. Among the 0.5% most significant observations, none had been reported previously for risk to MDD. Within this group of interactions, less than 0.03% would have been detectable based on main effect approach or an a priori algorithm. We evaluated correlations among the three different models and conclude that all three algorithms detected the same interactions to a low degree. Although the top interactions had a surprisingly large effect size for MDD (e.g. additive dominant model Puncorrected = 9.10E-9 with attributable proportion (AP) value = 0.58 and multiplicative recessive model with Puncorrected = 6.95E-5 with odds ratio (OR estimated from β3) value = 4.99) the area under the curve (AUC) estimates were low (< 0.54). Moreover, the population attributable fraction (PAF) estimates were also low (< 0.15). We conclude that the top interactions on their own did not explain much of the genetic variance of MDD. The different statistical interaction methods we used in the present study did not identify the same pairs of interacting markers. Genetic interaction studies may uncover previously unsuspected effects that could provide novel insights into MDD risk, but much larger sample sizes are needed before this strategy can be powerfully applied.

Exploration of enzyme-ligand interactions in CYP2D6 & 3A4 homology models and crystal structures using a novel computational approach.

PubMed

Kjellander, Britta; Masimirembwa, Collen M; Zamora, Ismael

2007-01-01

New crystal structures of human CYP2D6 and CYP3A4 have recently been reported, and in this study, we wanted to compare them with previously used homology models with respect to predictions of site of metabolism and ligand-enzyme interactions. The data set consisted of a family of synthetic opioid analgesics with the aim to cover both CYP2D6 and CYP3A4, as most of these compounds are metabolized by both isoforms. The program MetaSite was used for the site of metabolism predictions, and the results were validated by experimental assessment of the major metabolites formed with recombinant CYP450s. This was made on a selection of 14 compounds in the data set. The prediction rates for MetaSite were 79-100% except for the CYP3A4 homology model, which picked the correct site in half of the cases. Despite differences in orientation of some important amino acids in the active sites, the MetaSite-predicted sites were the same for the different structures, with the exception of the CYP3A4 homology model. Further exploration of interactions with ligands was done by docking substrates/inhibitors in the different structures with the docking program GLUE. To address the challenge in interpreting patterns of enzyme-ligand interactions for the large number of different docking poses, a new computational tool to handle the results from the dockings was developed, in which the output highlights the relative importance of amino acids in CYP450-substrate/inhibitor interactions. The method is based on calculations of the interaction energies for each pose with the surrounding amino acids. For the CYP3A4 structures, this method was compared with consensus principal component analysis (CPCA), a commonly used method for structural comparison to evaluate the usefulness of the new method. The results from the two methods were comparable with each other, and the highlighted amino acids resemble those that were identified to have a different orientation in the compared structures. The new method has clear advantages over CPCA in that it is far simpler to interpret and there is no need for protein alignment. The methodology enables structural comparison but also gives insights on important amino acid substrate/inhibitor interactions and can therefore be very useful when suggesting modifications of new chemical entities to improve their metabolic profiles.

Spherical solid model system: Exact evaluation of the van der Waals interaction between a microscopic or submacroscopic spherical solid and a deformable fluid interface

NASA Astrophysics Data System (ADS)

Wang, Y. Z.; Wang, B.; Xiong, X. M.; Zhang, J. X.

2011-03-01

In many previous research work associated with studying the deformation of the fluid interface interacting with a solid, the theoretical calculation of the surface energy density on the deformed fluid interface (or its interaction surface pressure) is often approximately obtained by using the expression for the interaction energy per unit area (or pressure) between two parallel macroscopic plates, e.g. σ(D) = - A / 12 πD2or π(D) = - A / 6 πD3for the van der Waals (vdW) interaction, through invoking the Derjaguin approximation (DA). This approximation however would result in over- or even inaccurate-prediction of the interaction force and the corresponding deformation of the fluid interface due to the invalidation of Derjaguin approximation in cases of microscopic or submacroscopic solids. To circumvent the above limitations existing in the previous DA-based theoretical work, a more accurate and quantitative theoretical model, available for exactly calculating the vdW-induced deformation of a planar fluid interface interacting with a sphere, and the interaction forces taking into account its change, is presented in this paper. The validity and advantage of the new mathematical and physical technique is rigorously verified by comparison with the numerical results on basis of the previous Paraboloid solid (PS) model and the Hamaker's sphere-flat expression (viz. F = - 2 Aa3 / (3 D2( D + 2 a) 2)), as well as its well-known DA-based general form of F / a = - A / 6z p02.

Compressible Boundary Layer Investigation for Ramjet/scramjet Inlets and Nozzles

NASA Astrophysics Data System (ADS)

Goldfeld, M. A.; Starov, A. V.; Semenova, Yu. V.

2005-02-01

The results of experimental investigation of a turbulent boundary layer on compression and expansion surfaces are presented. They include the study of the shock wave and/or expansion fan action upon the boundary layer, boundary layer separation and its relaxation. Complex events of paired interactions and the flow on compression convex-concave surfaces were studied [M. Goldfeld, 1993]. The possibility and conditions of the boundary layer relaminarization behind the expansion fan and its effect on the relaxation length are presented. Different model configurations for wide range conditions were investigated. Comparison of results for different interactions was carried out.

Hadron production in 200 GeV μ-copper and μ-carbon deep inelastic interactions

NASA Astrophysics Data System (ADS)

Arvidson, A.; Aubert, J. J.; Bassompierre, G.; Becks, K. H.; Benchouk, C.; Best, C.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Broll, C.; Brown, S.; Carr, J.; Clifft, R. W.; Cobb, J. H.; Coignet, G.; Combley, F.; Court, G. R.; Crespo, J. M.; D'Agostini, G.; Dalpiaz, P. F.; Dalpiaz, P.; Dau, W. D.; Davies, J. K.; Déclais, Y.; Dobinson, R. W.; Dosselli, U.; Drees, J.; Edwards, A.; Edwards, M.; Favier, J.; Ferrero, M. I.; Flauger, W.; Forsbach, H.; Gabathuler, E.; Gamet, R.; Gayler, J.; Gerhardt, V.; Gössling, C.; Gregory, P.; Haas, J.; Hamacher, K.; Hayman, P.; Henckes, M.; Korbel, V.; Landgraf, U.; Leenen, M.; Maire, M.; Massonnet, L.; Minssieux, H.; Mohr, W.; Montgomery, H. E.; Moser, K.; Mount, R. P.; Nagy, E.; Nassalski, J.; Norton, P. R.; McNicholas, J.; Osborne, A. M.; Payre, P.; Peroni, C.; Pessard, H.; Pietrzyk, U.; Rith, K.; Schneegans, M.; Sloan, T.; Stier, H. E.; Stockhausen, W.; Thénard, J. M.; Thompson, J. C.; Urban, L.; Villers, M.; Wahlen, H.; Whalley, M.; Williams, D.; Williams, W. S. C.; Williamson, J.; Wimpenny, S. J.; European Muon Collaboration

1984-11-01

The measurements of the z and pT2 distribution of hadrons produced in the interactions of 200 GeV muons with copper and carbon nuclei are shown in different xBj and virtual photon energy intervals. Effects of the jet scattering are seen at the lowest virtual photon energies while for energies above 70 GeV there is no evidence of these effects. Comparison with a theoretical model indicates that at high jet energies the parton fragmentation distance is greater than the nuclear radius and that the parton absorption cross section is less than 10 mb.

Bayesian Inference for Functional Dynamics Exploring in fMRI Data.

PubMed

Guo, Xuan; Liu, Bing; Chen, Le; Chen, Guantao; Pan, Yi; Zhang, Jing

2016-01-01

This paper aims to review state-of-the-art Bayesian-inference-based methods applied to functional magnetic resonance imaging (fMRI) data. Particularly, we focus on one specific long-standing challenge in the computational modeling of fMRI datasets: how to effectively explore typical functional interactions from fMRI time series and the corresponding boundaries of temporal segments. Bayesian inference is a method of statistical inference which has been shown to be a powerful tool to encode dependence relationships among the variables with uncertainty. Here we provide an introduction to a group of Bayesian-inference-based methods for fMRI data analysis, which were designed to detect magnitude or functional connectivity change points and to infer their functional interaction patterns based on corresponding temporal boundaries. We also provide a comparison of three popular Bayesian models, that is, Bayesian Magnitude Change Point Model (BMCPM), Bayesian Connectivity Change Point Model (BCCPM), and Dynamic Bayesian Variable Partition Model (DBVPM), and give a summary of their applications. We envision that more delicate Bayesian inference models will be emerging and play increasingly important roles in modeling brain functions in the years to come.

Current state and future perspectives on coupled ice-sheet - sea-level modelling

NASA Astrophysics Data System (ADS)

de Boer, Bas; Stocchi, Paolo; Whitehouse, Pippa L.; van de Wal, Roderik S. W.

2017-08-01

The interaction between ice-sheet growth and retreat and sea-level change has been an established field of research for many years. However, recent advances in numerical modelling have shed new light on the precise interaction of marine ice sheets with the change in near-field sea level, and the related stability of the grounding line position. Studies using fully coupled ice-sheet - sea-level models have shown that accounting for gravitationally self-consistent sea-level change will act to slow down the retreat and advance of marine ice-sheet grounding lines. Moreover, by simultaneously solving the 'sea-level equation' and modelling ice-sheet flow, coupled models provide a global field of relative sea-level change that is consistent with dynamic changes in ice-sheet extent. In this paper we present an overview of recent advances, possible caveats, methodologies and challenges involved in coupled ice-sheet - sea-level modelling. We conclude by presenting a first-order comparison between a suite of relative sea-level data and output from a coupled ice-sheet - sea-level model.

Role of 0D peripheral vasculature model in fluid-structure interaction modeling of aneurysms

NASA Astrophysics Data System (ADS)

Torii, Ryo; Oshima, Marie; Kobayashi, Toshio; Takagi, Kiyoshi; Tezduyar, Tayfun E.

2010-06-01

Patient-specific simulations based on medical images such as CT and MRI offer information on the hemodynamic and wall tissue stress in patient-specific aneurysm configurations. These are considered important in predicting the rupture risk for individual aneurysms but are not possible to measure directly. In this paper, fluid-structure interaction (FSI) analyses of a cerebral aneurysm at the middle cerebral artery (MCA) bifurcation are presented. A 0D structural recursive tree model of the peripheral vasculature is incorporated and its impedance is coupled with the 3D FSI model to compute the outflow through the two branches accurately. The results are compared with FSI simulation with prescribed pressure variation at the outlets. The comparison shows that the pressure at the two outlets are nearly identical even with the peripheral vasculature model and the flow division to the two branches is nearly the same as what we see in the simulation without the peripheral vasculature model. This suggests that the role of the peripheral vasculature in FSI modeling of the MCA aneurysm is not significant.

Time-domain simulation of flute-like instruments: comparison of jet-drive and discrete-vortex models.

PubMed

Auvray, Roman; Ernoult, Augustin; Fabre, Benoît; Lagrée, Pierre-Yves

2014-07-01

This paper presents two models of sound production in flute-like instruments that allow time-domain simulations. The models are based on different descriptions of the jet flow within the window of the instrument. The jet-drive model depicts the jet by its transverse perturbation that interacts with the labium to produce sound. The discrete-vortex model depicts the jet as two independent shear layers along which vortices are convected and interact with the acoustic field within the window. The limit of validity between both models is usually discussed according to the aspect ratio of the jet W/h, with W the window length and h the flue channel height. The present simulations, compared with experimental data gathered on a recorder, allow to extend the aspect ratio criterion to the notion of dynamic aspect ratio defined as λ/h where λ is the hydrodynamic wavelength that now accounts for geometrical properties, such as W/h, as well as for dynamic properties, such as the Strouhal number. The two models are found to be applicable over neighboring values of geometry and blowing pressure.

Studies on the Ionic Permeability of Muscle Cells and their Models

PubMed Central

Ling, Gilbert N.; Ochsenfeld, Margaret M.

1965-01-01

We studied the effect an alkali-metal ion exercised on the rate of entry of another alkali-metal ion into frog sartorius muscle cells and their models (i.e., ion exchange resin and sheep's wool). In the case of frog muscle, it was shown that the interaction fell into one of four categories; competition, facilitation, and two types of indifference. The observed pK value (4.6 to 4.7) of the surface anionic groups that combine with the alkali-metal ions suggests that they are β- or γ-carboxyl groups of proteins on the cell surface. The results were compared with four theoretical models which included three membrane models (continuous lipoid membrane with carrier; leaky membrane with carrier; membrane with fixed ionic sites) and one bulk-phase model. This comparison led to the conclusion that the only model that is self-consistent and agrees with all of the experimental facts is the one based on the concept that the entire living cell represents a proteinaceous fixed-charge system; this model correctly predicts all four types of interaction observed. PMID:5884012

A generic framework for individual-based modelling and physical-biological interaction

PubMed Central

2018-01-01

The increased availability of high-resolution ocean data globally has enabled more detailed analyses of physical-biological interactions and their consequences to the ecosystem. We present IBMlib, which is a versatile, portable and computationally effective framework for conducting Lagrangian simulations in the marine environment. The purpose of the framework is to handle complex individual-level biological models of organisms, combined with realistic 3D oceanographic model of physics and biogeochemistry describing the environment of the organisms without assumptions about spatial or temporal scales. The open-source framework features a minimal robust interface to facilitate the coupling between individual-level biological models and oceanographic models, and we provide application examples including forward/backward simulations, habitat connectivity calculations, assessing ocean conditions, comparison of physical circulation models, model ensemble runs and recently posterior Eulerian simulations using the IBMlib framework. We present the code design ideas behind the longevity of the code, our implementation experiences, as well as code performance benchmarking. The framework may contribute substantially to progresses in representing, understanding, predicting and eventually managing marine ecosystems. PMID:29351280

Electrical model of cold atmospheric plasma gun

NASA Astrophysics Data System (ADS)

Slutsker, Ya. Z.; Semenov, V. E.; Krasik, Ya. E.; Ryzhkov, M. A.; Felsteiner, J.; Binenbaum, Y.; Gil, Z.; Shtrichman, R.; Cohen, J. T.

2017-10-01

We present an analytical model of cold atmospheric plasma formed by a dielectric barrier discharge (DBD), which is based on the lumped and distributed elements of an equivalent electric circuit of this plasma. This model is applicable for a wide range of frequencies and amplitudes of the applied voltage pulses, no matter whether or not the generated plasma plume interacts with a target. The model allows quantitative estimation of the plasma plume length and the energy delivered to the plasma. Also, the results of this model can be used for the design of DBD guns which efficiently generate cold atmospheric plasma. A comparison of the results of the model with those obtained in experiments shows a fairly good agreement.

An idealised study for the long term evolution of crescentic bars

NASA Astrophysics Data System (ADS)

Chen, W. L.; Dodd, N.; Tiessen, M. C. H.; Calvete, D.

2018-01-01

An idealised study that identifies the mechanisms in the long term evolution of crescentic bar systems in nature is presented. Growth to finite amplitude (i.e., equilibration, sometimes referred to as saturation) and higher harmonic interaction are hypothesised to be the leading nonlinear effects in long-term evolution of these systems. These nonlinear effects are added to a linear stability model and used to predict crescentic bar development along a beach in Duck, North Carolina (USA) over a 2-month period. The equilibration prolongs the development of bed patterns, thus allowing the long term evolution. Higher harmonic interaction enables the amplitude to be transferred from longer to shorter lengthscales, which leads to the dominance of shorter lengthscales in latter post-storm stages, as observed at Duck. The comparison with observations indicates the importance of higher harmonic interaction in the development of nearshore crescentic bar systems in nature. Additionally, it is concluded that these nonlinear effects should be included in models simulating the development of different bed patterns, and that this points a way forward for long-term morphodynamical modelling in general.

Laser–plasma interactions for fast ignition

DOE PAGES

Kemp, A. J.; Fiuza, F.; Debayle, A.; ...

2014-04-17

In the electron-driven fast-ignition approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review recent progress in the understanding of intense laser- plasma interactions (LPI) relevant to fast ignition. Increases in computational and modeling capabilities, as well as algorithmic developments have led to enhancement in our ability to perform multidimensional particle-in-cell (PIC) simulations of LPI at relevant scales. We discuss the physics of the interaction in terms of laser absorption fraction, the laser-generated electron spectra, divergence, and their temporalmore » evolution. Scaling with irradiation conditions such as laser intensity, f-number and wavelength are considered, as well as the dependence on plasma parameters. Different numerical modeling approaches and configurations are addressed, providing an overview of the modeling capabilities and limitations. In addition, we discuss the comparison of simulation results with experimental observables. In particular, we address the question of surrogacy of today's experiments for the full-scale fast ignition problem.« less

A Study of Fundamental Shock Noise Mechanisms

NASA Technical Reports Server (NTRS)

Meadows, Kristine R.

1997-01-01

This paper investigates two mechanisms fundamental to sound generation in shocked flows: shock motion and shock deformation. Shock motion is modeled numerically by examining the interaction of a sound wave with a shock. This numerical approach is validated by comparison with results obtained by linear theory for a small-disturbance case. Analysis of the perturbation energy with Myers' energy corollary demonstrates that acoustic energy is generated by the interaction of acoustic disturbances with shocks. This analysis suggests that shock motion generates acoustic and entropy disturbance energy. Shock deformation is modeled numerically by examining the interaction of a vortex ring with a shock. These numerical simulations demonstrate the generation of both an acoustic wave and contact surfaces. The acoustic wave spreads cylindrically. The sound intensity is highly directional and the sound pressure increases with increasing shock strength. The numerically determined relationship between the sound pressure and the Mach number is found to be consistent with experimental observations of shock noise. This consistency implies that a dominant physical process in the generation of shock noise is modeled in this study.

Phase diagram of the quantum Ising model with long-range interactions on an infinite-cylinder triangular lattice

NASA Astrophysics Data System (ADS)

Saadatmand, S. N.; Bartlett, S. D.; McCulloch, I. P.

2018-04-01

Obtaining quantitative ground-state behavior for geometrically-frustrated quantum magnets with long-range interactions is challenging for numerical methods. Here, we demonstrate that the ground states of these systems on two-dimensional lattices can be efficiently obtained using state-of-the-art translation-invariant variants of matrix product states and density-matrix renormalization-group algorithms. We use these methods to calculate the fully-quantitative ground-state phase diagram of the long-range interacting triangular Ising model with a transverse field on six-leg infinite-length cylinders and scrutinize the properties of the detected phases. We compare these results with those of the corresponding nearest neighbor model. Our results suggest that, for such long-range Hamiltonians, the long-range quantum fluctuations always lead to long-range correlations, where correlators exhibit power-law decays instead of the conventional exponential drops observed for short-range correlated gapped phases. Our results are relevant for comparisons with recent ion-trap quantum simulator experiments that demonstrate highly-controllable long-range spin couplings for several hundred ions.

Rashba quantum wire: exact solution and ballistic transport.

PubMed

Perroni, C A; Bercioux, D; Ramaglia, V Marigliano; Cataudella, V

2007-05-08

The effect of Rashba spin-orbit interaction in quantum wires with hard-wall boundaries is discussed. The exact wavefunction and eigenvalue equation are worked out, pointing out the mixing between the spin and spatial parts. The spectral properties are also studied within perturbation theory with respect to the strength of the spin-orbit interaction and diagonalization procedure. A comparison is made with the results of a simple model, the two-band model, that takes account only of the first two sub-bands of the wire. Finally, the transport properties within the ballistic regime are analytically calculated for the two-band model and through a tight-binding Green function for the entire system. Single and double interfaces separating regions with different strengths of spin-orbit interaction are analysed by injecting carriers into the first and the second sub-band. It is shown that in the case of a single interface the spin polarization in the Rashba region is different from zero, and in the case of two interfaces the spin polarization shows oscillations due to spin-selective bound states.

Delithiated states of layered cathode materials: doping and dispersion interaction effects on the structure

NASA Astrophysics Data System (ADS)

Eremin, Roman; Zolotarev, Pavel; Bobrikov, Ivan

2018-04-01

Here we present results of density functional theory (DFT) study of delithiated structures of layered LiNiO2 (LNO, Li12Ni12O24 model) cathode material and its doped analogue LiNi0.833Co0.083Al0.083O2 (N10C1A1, Li12Ni10CoAlO24 model). The paper is aimed at independent elucidation of doping and dispersion interaction effects on the structural stability of cathode materials studied. For this purpose, the LNO and N10C1A1 configurational spaces consisting of 87 and 4512 crystallographically independent configurations (obtained starting from 2×2×1 supercell of R-3m structure of LNO) are optimized within a number of DFT models. Based on a comparison of the calculated dependencies for the lattice parameters with the results of in situ neutron diffraction experiments, the most pronounced effect of cathode material stabilization is due to the dispersion interaction. In turn, the doping effect is found to affect cathode structure behavior at the latest stages of delithiation only.

Toward a comprehensive UV laser ablation modeling of multicomponent materials—A non-equilibrium investigation on titanium carbide

NASA Astrophysics Data System (ADS)

Ait Oumeziane, Amina; Parisse, Jean-Denis

2018-05-01

Titanium carbide (TiC) coatings of great quality can be produced using nanosecond pulsed laser deposition (PLD). Because the deposition rate and the transfer of the target stoichiometry depend strongly on the laser-target/laser-plasma interaction as well as the composition of the laser induced plume, investigating the ruling fundamental mechanisms behind the material ablation and the plasma evolution in the background environment under PLD conditions is essential. This work, which extends previous investigations dedicated to the study of nanosecond laser ablation of pure target materials, is a first step toward a comprehensive non-equilibrium model of multicomponent ones. A laser-material interaction model coupled to a laser-plasma interaction one is presented. A UV 20 ns KrF (248 nm) laser pulse is considered. Ablation depths, plasma ignition thresholds, and shielding rates have been calculated for a wide range of laser beam fluences. A comparison of TiC behavior with pure titanium material under the same conditions is made. Plasma characteristics such as temperature and composition have been investigated. An overall correlation between the various results is presented.

A time domain frequency-selective multivariate Granger causality approach.

PubMed

Leistritz, Lutz; Witte, Herbert

2016-08-01

The investigation of effective connectivity is one of the major topics in computational neuroscience to understand the interaction between spatially distributed neuronal units of the brain. Thus, a wide variety of methods has been developed during the last decades to investigate functional and effective connectivity in multivariate systems. Their spectrum ranges from model-based to model-free approaches with a clear separation into time and frequency range methods. We present in this simulation study a novel time domain approach based on Granger's principle of predictability, which allows frequency-selective considerations of directed interactions. It is based on a comparison of prediction errors of multivariate autoregressive models fitted to systematically modified time series. These modifications are based on signal decompositions, which enable a targeted cancellation of specific signal components with specific spectral properties. Depending on the embedded signal decomposition method, a frequency-selective or data-driven signal-adaptive Granger Causality Index may be derived.

Numerical Calculation Method for Prediction of Ground-borne Vibration near Subway Tunnel

NASA Astrophysics Data System (ADS)

Tsuno, Kiwamu; Furuta, Masaru; Abe, Kazuhisa

This paper describes the development of prediction method for ground-borne vibration from railway tunnels. Field measurement was carried out both in a subway shield tunnel, in the ground and on the ground surface. The generated vibration in the tunnel was calculated by means of the train/track/tunnel interaction model and was compared with the measurement results. On the other hand, wave propagation in the ground was calculated utilizing the empirical model, which was proposed based on the relationship between frequency and material damping coefficient α in order to predict the attenuation in the ground in consideration of frequency characteristics. Numerical calculation using 2-dimensinal FE analysis was also carried out in this research. The comparison between calculated and measured results shows that the prediction method including the model for train/track/tunnel interaction and that for wave propagation is applicable to the prediction of train-induced vibration propagated from railway tunnel.

Modeling viscosity and diffusion of plasma mixtures across coupling regimes

NASA Astrophysics Data System (ADS)

Arnault, Philippe

2014-10-01

Viscosity and diffusion of plasma for pure elements and multicomponent mixtures are modeled from the high-temperature low-density weakly coupled regime to the low-temperature high-density strongly coupled regime. Thanks to an atom in jellium modeling, the effect of electron screening on the ion-ion interaction is incorporated through a self-consistent definition of the ionization. This defines an effective One Component Plasma, or an effective Binary Ionic Mixture, that is representative of the strength of the interaction. For the viscosity and the interdiffusion of mixtures, approximate kinetic expressions are supplemented by mixing laws applied to the excess viscosity and self-diffusion of pure elements. The comparisons with classical and quantum molecular dynamics results reveal deviations in the range 20--40% on average with almost no predictions further than a factor of 2 over many decades of variation. Applications in the inertial confinement fusion context could help in predicting the growth of hydrodynamic instabilities.

New Gravity Wave Treatments for GISS Climate Models

NASA Technical Reports Server (NTRS)

Geller, Marvin A.; Zhou, Tiehan; Ruedy, Reto; Aleinov, Igor; Nazarenko, Larissa; Tausnev, Nikolai L.; Sun, Shan; Kelley, Maxwell; Cheng, Ye

2011-01-01

Previous versions of GISS climate models have either used formulations of Rayleigh drag to represent unresolved gravity wave interactions with the model-resolved flow or have included a rather complicated treatment of unresolved gravity waves that, while being climate interactive, involved the specification of a relatively large number of parameters that were not well constrained by observations and also was computationally very expensive. Here, the authors introduce a relatively simple and computationally efficient specification of unresolved orographic and nonorographic gravity waves and their interaction with the resolved flow. Comparisons of the GISS model winds and temperatures with no gravity wave parameterization; with only orographic gravity wave parameterization; and with both orographic and nonorographic gravity wave parameterizations are shown to illustrate how the zonal mean winds and temperatures converge toward observations. The authors also show that the specifications of orographic and nonorographic gravity waves must be different in the Northern and Southern Hemispheres. Then results are presented where the nonorographic gravity wave sources are specified to represent sources from convection in the intertropical convergence zone and spontaneous emission from jet imbalances. Finally, a strategy to include these effects in a climate-dependent manner is suggested.

Spectroscopy of 70Kr and isospin symmetry in the T =1 f p g shell nuclei

NASA Astrophysics Data System (ADS)

Debenham, D. M.; Bentley, M. A.; Davies, P. J.; Haylett, T.; Jenkins, D. G.; Joshi, P.; Sinclair, L. F.; Wadsworth, R.; Ruotsalainen, P.; Henderson, J.; Kaneko, K.; Auranen, K.; Badran, H.; Grahn, T.; Greenlees, P.; HerzaáÅ, A.; Jakobsson, U.; Konki, J.; Julin, R.; Juutinen, S.; Leino, M.; Sorri, J.; Pakarinen, J.; Papadakis, P.; Peura, P.; Partanen, J.; Rahkila, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Stolze, S.; Uusitalo, J.; David, H. M.; de Angelis, G.; Korten, W.; Lotay, G.; Mallaburn, M.; Sahin, E.

2016-11-01

The recoil-β tagging technique has been used in conjunction with the 40Ca(32S,2 n ) reaction at a beam energy of 88 MeV to identify transitions associated with the decay of the 2+ and, tentatively, 4+ states in the nucleus 70Kr. These data are used, along with previously published data, to examine the triplet energy differences (TED) for the mass 70 isobars. The experimental TED values are compared with shell model calculations, performed with the JUN45 interaction in the f p g model space, that include a J =0 isospin nonconserving (INC) interaction with an isotensor strength of 100 keV. The agreement is found to be very good up to spin 4 and supports the expectation for analog states that all three nuclei have the same oblate shape at low-spin. The A =70 results are compared with the experimental and shell model predicted TED and mirror energy differences (MED) for the mass 66 and 74 systems. The comparisons clearly demonstrate the importance of the isotensor INC interaction in replicating the TED data in this region. Issues related to the observed MED values and their interpretation within the shell model are discussed.

New Gravity Wave Treatments for GISS Climate Models

NASA Technical Reports Server (NTRS)

Geller, Marvin A.; Zhou, Tiehan; Ruedy, Reto; Aleinov, Igor; Nazarenko, Larissa; Tausnev, Nikolai L.; Sun, Shan; Kelley, Maxwell; Cheng, Ye

2010-01-01

Previous versions of GISS climate models have either used formulations of Rayleigh drag to represent unresolved gravity wave interactions with the model resolved flow or have included a rather complicated treatment of unresolved gravity waves that, while being climate interactive, involved the specification of a relatively large number of parameters that were not well constrained by observations and also was computationally very expensive. Here, we introduce a relatively simple and computationally efficient specification of unresolved orographic and non-orographic gravity waves and their interaction with the resolved flow. We show comparisons of the GISS model winds and temperatures with no gravity wave parametrization; with only orographic gravity wave parameterization; and with both orographic and non-orographic gravity wave parameterizations to illustrate how the zonal mean winds and temperatures converge toward observations. We also show that the specifications of orographic and nonorographic gravity waves must be different in the Northern and Southern Hemispheres. We then show results where the non-orographic gravity wave sources are specified to represent sources from convection in the Intertropical Convergence Zone and spontaneous emission from jet imbalances. Finally, we suggest a strategy to include these effects in a climate dependent manner.

Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2 (110) Intermolecular Interaction

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

Yang, Li; Tunega, Daniel; Xu, Lai

2013-08-29

In a previous study (J. Phys. Chem. C 2011, 115, 12403) cluster models for the TiO2 rutile (110) surface and MP2 calculations were used to develop an analytic potential energy function for dimethyl methylphosphonate (DMMP) interacting with this surface. In the work presented here, this analytic potential and MP2 cluster models are compared with DFT "slab" calculations for DMMP interacting with the TiO2 (110) surface and with DFT cluster models for the TiO2 (110) surface. The DFT slab calculations were performed with the PW91 and PBE functionals. The analytic potential gives DMMP/ TiO2 (110) potential energy curves in excellent agreementmore » with those obtained from the slab calculations. The cluster models for the TiO2 (110) surface, used for the MP2 calculations, were extended to DFT calculations with the B3LYP, PW91, and PBE functional. These DFT calculations do not give DMMP/TiO2 (110) interaction energies which agree with those from the DFT slab calculations. Analyses of the wave functions for these cluster models show that they do not accurately represent the HOMO and LUMO for the surface, which should be 2p and 3d orbitals, respectively, and the models also do not give an accurate band gap. The MP2 cluster models do not accurately represent the LUMO and that they give accurate DMMP/TiO2 (110) interaction energies is apparently fortuitous, arising from their highly inaccurate band gaps. Accurate cluster models, consisting of 7, 10, and 15 Ti-atoms and which have the correct HOMO and LUMO properties, are proposed. The work presented here illustrates the care that must be taken in "constructing" cluster models which accurately model surfaces.« less

Rotor-Fuselage Interaction: Analysis and Validation with Experiment

NASA Technical Reports Server (NTRS)

Berry, John D.; Bettschart, Nicolas

1997-01-01

The problem of rotor-fuselage aerodynamic interaction has to be considered in industry applications from various aspects. First, in order to increase helicopter speed and reduce operational costs, rotorcraft tend to be more and more compact, with a main rotor closer to the fuselage surface. This creates significant perturbations both on the main rotor and on the fuselage, including steady and unsteady effects due to blade and wake passage and perturbed inflow at the rotor disk. Furthermore,the main rotor wake affects the tail boom, empennage and anti-torque system. This has important consequences for helicopter control and vibrations at low speeds and also on tail rotor acoustics (main rotor wake-tail rotor interactions). This report describes the US Army-France MOD cooperative work on this problem from both the theoretical and experimental aspects. Using experimental 3D velocity field and fuselage surface pressure measurements, three codes that model the interactions of a helicopter rotor with a fuselage are compared. These comparisons demonstrate some of the strengths and weaknesses of current models for the combined rotor-fuselage analysis.

Crucial role of strategy updating for coexistence of strategies in interaction networks.

PubMed

Zhang, Jianlei; Zhang, Chunyan; Cao, Ming; Weissing, Franz J

2015-04-01

Network models are useful tools for studying the dynamics of social interactions in a structured population. After a round of interactions with the players in their local neighborhood, players update their strategy based on the comparison of their own payoff with the payoff of one of their neighbors. Here we show that the assumptions made on strategy updating are of crucial importance for the strategy dynamics. In the first step, we demonstrate that seemingly small deviations from the standard assumptions on updating have major implications for the evolutionary outcome of two cooperation games: cooperation can more easily persist in a Prisoner's Dilemma game, while it can go more easily extinct in a Snowdrift game. To explain these outcomes, we develop a general model for the updating of states in a network that allows us to derive conditions for the steady-state coexistence of states (or strategies). The analysis reveals that coexistence crucially depends on the number of agents consulted for updating. We conclude that updating rules are as important for evolution on a network as network structure and the nature of the interaction.

Crucial role of strategy updating for coexistence of strategies in interaction networks

NASA Astrophysics Data System (ADS)

Zhang, Jianlei; Zhang, Chunyan; Cao, Ming; Weissing, Franz J.

2015-04-01

Network models are useful tools for studying the dynamics of social interactions in a structured population. After a round of interactions with the players in their local neighborhood, players update their strategy based on the comparison of their own payoff with the payoff of one of their neighbors. Here we show that the assumptions made on strategy updating are of crucial importance for the strategy dynamics. In the first step, we demonstrate that seemingly small deviations from the standard assumptions on updating have major implications for the evolutionary outcome of two cooperation games: cooperation can more easily persist in a Prisoner's Dilemma game, while it can go more easily extinct in a Snowdrift game. To explain these outcomes, we develop a general model for the updating of states in a network that allows us to derive conditions for the steady-state coexistence of states (or strategies). The analysis reveals that coexistence crucially depends on the number of agents consulted for updating. We conclude that updating rules are as important for evolution on a network as network structure and the nature of the interaction.

Integrated water flow model and modflow-farm process: A comparison of theory, approaches, and features of two integrated hydrologic models

USGS Publications Warehouse

Dogrul, Emin C.; Schmid, Wolfgang; Hanson, Randall T.; Kadir, Tariq; Chung, Francis

2016-01-01

Effective modeling of conjunctive use of surface and subsurface water resources requires simulation of land use-based root zone and surface flow processes as well as groundwater flows, streamflows, and their interactions. Recently, two computer models developed for this purpose, the Integrated Water Flow Model (IWFM) from the California Department of Water Resources and the MODFLOW with Farm Process (MF-FMP) from the US Geological Survey, have been applied to complex basins such as the Central Valley of California. As both IWFM and MFFMP are publicly available for download and can be applied to other basins, there is a need to objectively compare the main approaches and features used in both models. This paper compares the concepts, as well as the method and simulation features of each hydrologic model pertaining to groundwater, surface water, and landscape processes. The comparison is focused on the integrated simulation of water demand and supply, water use, and the flow between coupled hydrologic processes. The differences in the capabilities and features of these two models could affect the outcome and types of water resource problems that can be simulated.

On the numerical modeling of sliding beams: A comparison of different approaches

NASA Astrophysics Data System (ADS)

Steinbrecher, Ivo; Humer, Alexander; Vu-Quoc, Loc

2017-11-01

The transient analysis of sliding beams represents a challenging problem of structural mechanics. Typically, the sliding motion superimposed by large flexible deformation requires numerical methods as, e.g., finite elements, to obtain approximate solutions. By means of the classical sliding spaghetti problem, the present paper provides a guideline to the numerical modeling with conventional finite element codes. For this purpose, two approaches, one using solid elements and one using beam elements, respectively, are employed in the analysis, and the characteristics of each approach are addressed. The contact formulation realizing the interaction of the beam with its support demands particular attention in the context of sliding structures. Additionally, the paper employs the sliding-beam formulation as a third approach, which avoids the numerical difficulties caused by the large sliding motion through a suitable coordinate transformation. The present paper briefly outlines the theoretical fundamentals of the respective approaches for the modeling of sliding structures and gives a detailed comparison by means of the sliding spaghetti serving as a representative example. The specific advantages and limitations of the different approaches with regard to accuracy and computational efficiency are discussed in detail. Through the comparison, the sliding-beam formulation, which proves as an effective approach for the modeling, can be validated for the general problem of a sliding structure subjected to large deformation.

Star Formation History In Merging Galaxies

NASA Astrophysics Data System (ADS)

Chien, Li-Hsin

2009-01-01

Interacting and merging galaxies are believed to play an important role in many aspects of galactic evolution. Their violent interactions can trigger starbursts, which lead to formation of young globular clusters. Therefore the ages of these young globular clusters can be interpreted to yield the timing of interaction-triggered events, and thus provide a key to reconstruct the star formation history in merging galaxies. The link between galaxy interaction and star formation is well established, but the triggers of star formation in interacting galaxies are still not understood. To date there are two competing formulas that describe the star formation mechanism--density-dependent and shock-induced rules. Numerical models implementing the two rules predict significantly different star formation histories in merging galaxies. My dissertation combines these two distinct areas of astrophysics, stellar evolution and galactic dynamics, to investigate the star formation history in galaxies at various merging stages. Begin with NGC 4676 as an example, I will briefly describe its model and illustrate the idea of using the ages of clusters to constrain the modeling. The ages of the clusters are derived from spectra that were taken with multi-object spectroscopy on Keck. Using NGC 7252 as a second example, I will present a state of the art dynamical model which predicts NGC7252's star formation history and other properties. I will then show a detailed comparison and analysis between the clusters and the modeling. In the end, I will address this important link as the key to answer the fundamental question of my thesis: what is the trigger of star formation in merging galaxies?

An application of the MPP to the interactive manipulation of stereo images of digital terrain models

NASA Technical Reports Server (NTRS)

Pol, Sanjay; Mcallister, David; Davis, Edward

1987-01-01

Massively Parallel Processor algorithms were developed for the interactive manipulation of flat shaded digital terrain models defined over grids. The emphasis is on real time manipulation of stereo images. Standard graphics transformations are applied to a 128 x 128 grid of elevations followed by shading and a perspective projection to produce the right eye image. The surface is then rendered using a simple painter's algorithm for hidden surface removal. The left eye image is produced by rotating the surface 6 degs about the viewer's y axis followed by a perspective projection and rendering of the image as described above. The left and right eye images are then presented on a graphics device using standard stereo technology. Performance evaluations and comparisons are presented.

Representation of memories in the cortical-hippocampal system: Results from the application of population similarity analyses

PubMed Central

McKenzie, Sam; Keene, Chris; Farovik, Anja; Blandon, John; Place, Ryan; Komorowski, Robert; Eichenbaum, Howard

2016-01-01

Here we consider the value of neural population analysis as an approach to understanding how information is represented in the hippocampus and cortical areas and how these areas might interact as a brain system to support memory. We argue that models based on sparse coding of different individual features by single neurons in these areas (e.g., place cells, grid cells) are inadequate to capture the complexity of experience represented within this system. By contrast, population analyses of neurons with denser coding and mixed selectivity reveal new and important insights into the organization of memories. Furthermore, comparisons of the organization of information in interconnected areas suggest a model of hippocampal-cortical interactions that mediates the fundamental features of memory. PMID:26748022

Fluctuation instability of the Dirac Sea in quark models of strong interactions

NASA Astrophysics Data System (ADS)

Zinovjev, G. M.; Molodtsov, S. V.

2016-03-01

A number of exactly integrable (quark) models of quantum field theory that feature an infinite correlation length are considered. An instability of the standard vacuum quark ensemble, a Dirac sea (in spacetimes of dimension higher than three), is highlighted. It is due to a strong ground-state degeneracy, which, in turn, stems from a special character of the energy distribution. In the case where the momentumcutoff parameter tends to infinity, this distribution becomes infinitely narrow and leads to large (unlimited) fluctuations. A comparison of the results for various vacuum ensembles, including a Dirac sea, a neutral ensemble, a color superconductor, and a Bardeen-Cooper-Schrieffer (BCS) state, was performed. In the presence of color quark interaction, a BCS state is unambiguously chosen as the ground state of the quark ensemble.

Analytical and experimental study of the effects of wing-body aerodynamic interaction on space shuttle subsonic flutter

NASA Technical Reports Server (NTRS)

Chipman, R. R.; Rauch, F. J.

1975-01-01

The effects on flutter of the aerodynamic interaction between the space shuttle bodies and wing, 1/80th-scale semispan models of the orbiter wing, the complete shuttle and intermediate component combinations were tested in the NASA Langley Research Center 26-inch Transonic Blowdown Wind Tunnel. Using the double lattice method combined with slender body theory to calculate unsteady aerodynamic forces, subsonic flutter speeds were computed for comparison. Using calculated complete vehicle modes, flutter speed trends were computed for the full scale vehicle at an altitude of 15,200 meters and a Mach number of 0.6. Consistent with findings of the model studies, analysis shows the shuttle to have the same flutter speed as an isolated cantilevered wing.

The effect of the hot oxygen corona on the interaction of the solar wind with Venus

NASA Technical Reports Server (NTRS)

Belotserkovskii, O. M.; Mitnitskii, V. IA.; Breus, T. K.; Krymskii, A. M.; Nagy, A. F.

1987-01-01

A numerical gasdynamic model, which includes the effects of mass loading of the shocked solar wind, was used to calculate the density and magnetic field variations in the magnetosheath of Venus. These calculations were carried out for conditions corresponding to a specific orbit of the Pioneer Venus Orbiter (PVO orbit 582). A comparison of the model predictions and the measured shock position, density and magnetic field values showed a reasonable agreement, indicating that a gasdynamic model that includes the effects of mass loading can be used to predict these parameters.

Analysis of lithology: Vegetation mixes in multispectral images

NASA Technical Reports Server (NTRS)

Adams, J. B.; Smith, M.; Adams, J. D.

1982-01-01

Discrimination and identification of lithologies from multispectral images is discussed. Rock/soil identification can be facilitated by removing the component of the signal in the images that is contributed by the vegetation. Mixing models were developed to predict the spectra of combinations of pure end members, and those models were refined using laboratory measurements of real mixtures. Models in use include a simple linear (checkerboard) mix, granular mixing, semi-transparent coatings, and combinations of the above. The use of interactive computer techniques that allow quick comparison of the spectrum of a pixel stack (in a multiband set) with laboratory spectra is discussed.

The effect of the hot oxygen corona on the interaction of the solar wind with Venus

NASA Astrophysics Data System (ADS)

Belotserkovskii, O. M.; Breus, T. K.; Krymskii, A. M.; Mitnitskii, V. Ya.; Nagey, A. F.; Gombosi, T. I.

1987-05-01

A numerical gas dynamic model, which includes the effects of mass loading of the shocked solar wind, was used to calculate the density and magnetic field variations in the magnetosheath of Venus. These calculations were carried out for conditions corresponding to a specific orbit of the Pioneer Venus Orbiter (PVO orbit 582). A comparison of the model predictions and the measured shock position, density and magnetic field values showed a reasonable agreement, indicating that a gas dynamic model that includes the effects of mass loading can be used to predict these parameters.

CYP3A4 substrate selection and substitution in the prediction of potential drug-drug interactions.

PubMed

Galetin, Aleksandra; Ito, Kiyomi; Hallifax, David; Houston, J Brian

2005-07-01

The complexity of in vitro kinetic phenomena observed for CYP3A4 substrates (homo- or heterotropic cooperativity) confounds the prediction of drug-drug interactions, and an evaluation of alternative and/or pragmatic approaches and substrates is needed. The current study focused on the utility of the three most commonly used CYP3A4 in vitro probes for the prediction of 26 reported in vivo interactions with azole inhibitors (increase in area under the curve ranged from 1.2 to 24, 50% in the range of potent inhibition). In addition to midazolam, testosterone, and nifedipine, quinidine was explored as a more "pragmatic" substrate due to its kinetic properties and specificity toward CYP3A4 in comparison with CYP3A5. Ki estimates obtained in human liver microsomes under standardized in vitro conditions for each of the four probes were used to determine the validity of substrate substitution in CYP3A4 drug-drug interaction prediction. Detailed inhibitor-related (microsomal binding, depletion over incubation time) and substrate-related factors (cooperativity, contribution of other metabolic pathways, or renal excretion) were incorporated in the assessment of the interaction potential. All four CYP3A4 probes predicted 69 to 81% of the interactions with azoles within 2-fold of the mean in vivo value. Comparison of simple and multisite mechanistic models and interaction prediction accuracy for each of the in vitro probes indicated that midazolam and quinidine in vitro data provided the best assessment of a potential interaction, with the lowest bias and the highest precision of the prediction. Further investigations with a wider range of inhibitors are required to substantiate these findings.

Scattering Models and Basic Experiments in the Microwave Regime

NASA Technical Reports Server (NTRS)

Fung, A. K.; Blanchard, A. J. (Principal Investigator)

1985-01-01

The objectives of research over the next three years are: (1) to develop a randomly rough surface scattering model which is applicable over the entire frequency band; (2) to develop a computer simulation method and algorithm to simulate scattering from known randomly rough surfaces, Z(x,y); (3) to design and perform laboratory experiments to study geometric and physical target parameters of an inhomogeneous layer; (4) to develop scattering models for an inhomogeneous layer which accounts for near field interaction and multiple scattering in both the coherent and the incoherent scattering components; and (5) a comparison between theoretical models and measurements or numerical simulation.

Applications of the hybrid coordinate method to the TOPS autopilot

NASA Technical Reports Server (NTRS)

Fleischer, G. E.

1978-01-01

Preliminary results are presented from the application of the hybrid coordinate method to modeling TOPS (thermoelectric outer planet spacecraft) structural dynamics. Computer simulated responses of the vehicle are included which illustrate the interaction of relatively flexible appendages with an autopilot control system. Comparisons were made between simplified single-axis models of the control loop, with spacecraft flexibility represented by hinged rigid bodies, and a very detailed three-axis spacecraft model whose flexible portions are described by modal coordinates. While single-axis system, root loci provided reasonable qualitative indications of stability margins in this case, they were quantitatively optimistic when matched against responses of the detailed model.

A new bio-inspired optimisation algorithm: Bird Swarm Algorithm

NASA Astrophysics Data System (ADS)

Meng, Xian-Bing; Gao, X. Z.; Lu, Lihua; Liu, Yu; Zhang, Hengzhen

2016-07-01

A new bio-inspired algorithm, namely Bird Swarm Algorithm (BSA), is proposed for solving optimisation applications. BSA is based on the swarm intelligence extracted from the social behaviours and social interactions in bird swarms. Birds mainly have three kinds of behaviours: foraging behaviour, vigilance behaviour and flight behaviour. Birds may forage for food and escape from the predators by the social interactions to obtain a high chance of survival. By modelling these social behaviours, social interactions and the related swarm intelligence, four search strategies associated with five simplified rules are formulated in BSA. Simulations and comparisons based on eighteen benchmark problems demonstrate the effectiveness, superiority and stability of BSA. Some proposals for future research about BSA are also discussed.

Exploring the interaction of patient activation and message design variables: message frame and presentation mode influence on the walking behavior of patients with type 2 diabetes.

PubMed

Ledford, Christy J W

2012-10-01

Examining interpersonal (physician-patient) communication strategies for promoting walking exercise to patients with type 2 diabetes assigned to primary care clinics, the study evaluated two message design variables--frame and presentation mode--as influencers of communication and adoption success. The single-site, four-week, prospective intervention study followed a 2×3 factorial, non-equivalent comparison group quasi-experimental design. Results showed frame was significantly related to steps walked; however, when including patient activation as an interaction, frame was non-significant. The model including patient activation interactions, however, detected significant mode effects on behavior. Results provide evidence that statistics are most effectively used with activated patients.

Material interactions with the Low Earth Orbital (LEO) environment: Accurate reaction rate measurements

NASA Technical Reports Server (NTRS)

Visentine, James T.; Leger, Lubert J.

1987-01-01

To resolve uncertainties in estimated LEO atomic oxygen fluence and provide reaction product composition data for comparison to data obtained in ground-based simulation laboratories, a flight experiment has been proposed for the space shuttle which utilizes an ion-neutral mass spectrometer to obtain in-situ ambient density measurements and identify reaction products from modeled polymers exposed to the atomic oxygen environment. An overview of this experiment is presented and the methodology of calibrating the flight mass spectrometer in a neutral beam facility prior to its use on the space shuttle is established. The experiment, designated EOIM-3 (Evaluation of Oxygen Interactions with Materials, third series), will provide a reliable materials interaction data base for future spacecraft design and will furnish insight into the basic chemical mechanisms leading to atomic oxygen interactions with surfaces.

The NASA-Goddard Multi-Scale Modeling Framework - Land Information System: Global Land/atmosphere Interaction with Resolved Convection

NASA Technical Reports Server (NTRS)

Mohr, Karen Irene; Tao, Wei-Kuo; Chern, Jiun-Dar; Kumar, Sujay V.; Peters-Lidard, Christa D.

2013-01-01

The present generation of general circulation models (GCM) use parameterized cumulus schemes and run at hydrostatic grid resolutions. To improve the representation of cloud-scale moist processes and landeatmosphere interactions, a global, Multi-scale Modeling Framework (MMF) coupled to the Land Information System (LIS) has been developed at NASA-Goddard Space Flight Center. The MMFeLIS has three components, a finite-volume (fv) GCM (Goddard Earth Observing System Ver. 4, GEOS-4), a 2D cloud-resolving model (Goddard Cumulus Ensemble, GCE), and the LIS, representing the large-scale atmospheric circulation, cloud processes, and land surface processes, respectively. The non-hydrostatic GCE model replaces the single-column cumulus parameterization of fvGCM. The model grid is composed of an array of fvGCM gridcells each with a series of embedded GCE models. A horizontal coupling strategy, GCE4fvGCM4Coupler4LIS, offered significant computational efficiency, with the scalability and I/O capabilities of LIS permitting landeatmosphere interactions at cloud-scale. Global simulations of 2007e2008 and comparisons to observations and reanalysis products were conducted. Using two different versions of the same land surface model but the same initial conditions, divergence in regional, synoptic-scale surface pressure patterns emerged within two weeks. The sensitivity of largescale circulations to land surface model physics revealed significant functional value to using a scalable, multi-model land surface modeling system in global weather and climate prediction.

Composite Study Of Aerosol Long-Range Transport Events From East Asia And North America

NASA Astrophysics Data System (ADS)

Jiang, X.; Waliser, D. E.; Guan, B.; Xavier, P.; Petch, J.; Klingaman, N. P.; Woolnough, S.

2011-12-01

While the Madden-Julian Oscillation (MJO) exerts pronounced influences on global climate and weather systems, current general circulation models (GCMs) exhibit rather limited capability in representing this prominent tropical variability mode. Meanwhile, the fundamental physics of the MJO are still elusive. Given the central role of the diabatic heating for prevailing MJO theories and demands for reducing the model deficiencies in simulating the MJO, a global model inter-comparison project on diabatic processes and vertical heating structure associated with the MJO has been coordinated through a joint effort by the WCRP-WWRP/THORPEX YOTC MJO Task Force and GEWEX GASS Program. In this presentation, progress of this model inter-comparison project will be reported, with main focus on climate simulations from about 27 atmosphere-only and coupled GCMs. Vertical structures of heating and diabatic processes associated with the MJO based on multi-model simulations will be presented along with their reanalysis and satellite estimate counterparts. Key processes possibly responsible for a realistic simulation of the MJO, including moisture-convection interaction, gross moist stability, ocean coupling, and surface heat flux, will be discussed.

Nuclear chemistry research and spectroscopy with radioactive sources. Sixteenth annual progress report

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

Fink, R.W.

1980-10-31

Nuclear spectroscopic studies included the decay of /sup 201/Po to /sup 201/Bi, decay of /sup 201/At, decay of /sup 187/Au, and g/sub 7/2/ intruder band in /sup 109/Ag. A systematic comparison was conducted of the Interacting Boson-Fermion Approximation model predictions with experiment on neutron-deficient odd-A gold isotopes. An international comparison of /sup 133/Ba ..gamma..-ray standards was completed. L/sub 1/, L/sub 2/, and L/sub 3/ subshells were studied, and the decay energy of /sup 207/Bi is being measured. Carrier-free /sup 18/F has been prepared in crown ether solution. (DLC)

Features of plasma produced by excimer laser at low intensities

NASA Astrophysics Data System (ADS)

Vergunova, G. A.; Magunov, A. I.; Dyakin, V. M.; Faenov, A. Ya; Pikuz, T. A.; Skobelev, I. Yu; Batani, D.; Bossi, S.; Bernardinello, A.; Flora, F.; di Lazzaro, P.; Bollanti, S.; Lisi, N.; Letardi, T.; Reale, A.; Palladino, L.; Scafati, A.; Reale, L.; Osterheld, A. L.; Goldstein, W. H.

1997-04-01

A plasma, created at interaction of short-wavelength excimer laser radiation with flat targets was investigated (tlas = 12 ns, λlas = 0.308 μm, qlas = 4 - 8 × 1012 W/cm2) with the help of various x-ray spectroscopic methods. The comparison of shapes and intensities of some observable spectral lines of H-, He and Li-like ions of Na, Mg and Al with results of model calculations has allowed to determine space distributions of laser plasma parameters up to distances of 0.4 mm from the target surface. Comparison of obtained results with theoretical models of absorption of short-wavelength radiation in a plasma shows, that the absorption of short-wavelength laser radiation in a plasma (at considered values of laser flux density) is executed due to inverse bremsstrahlung process in the areas with Ne < Ne, crit..

Simulation of Wave-Current Interaction Using a Three-Dimensional Hydrodynamic Model Coupled With a Phase Averaged Wave Model

NASA Astrophysics Data System (ADS)

Marsooli, R.; Orton, P. M.; Georgas, N.; Blumberg, A. F.

2016-02-01

The Stevens Institute of Technology Estuarine and Coastal Ocean Model (sECOM) has been coupled with a more advanced surface wave model to simulate wave‒current interaction, and results have been validated in estuarine and nearshore waters. sECOM is a three‒dimensional, hydrostatic, free surface, primitive equation model. It solves the Navier‒Stokes equations and the conservation equations for temperature and salinity using a finite‒difference method on an Arakawa C‒grid with a terrain‒following (sigma) vertical coordinate and orthogonal curvilinear horizontal coordinate system. The model is coupled with the surface wave model developed by Mellor et al. (2008), which solves the spectral equation and takes into account depth and current refraction, and deep and shallow water. The wave model parameterizes the energy distribution in frequency space and the wave‒wave interaction process by using a specified spectrum shape. The coupled wave‒hydrodynamic model considers the wave‒current interaction through wave‒induced bottom stress, depth‒dependent radiation stress, and wave effects on wind‒induced surface stress. The model is validated using the data collected at a natural sandy beach at Duck, North Carolina, during the DUCK94 experiment. This test case reveals the capability of the model to simulate the wave‒current interaction in nearshore coastal systems. The model is further validated using the data collected in Jamaica Bay, a semi‒enclosed body of water located in New York City region. This test reveals the applicability of the model to estuarine systems. These validations of the model and comparisons to its prior wave model, the Great Lakes Environmental Research Laboratory (GLERL) wave model (Donelan 1977), are presented and discussed. ReferencesG.L. Mellor, M.A. Donelan, and L‒Y. Oey, 2008, A Surface Wave Model for Coupling with Numerical Ocean Circulation Models. J. Atmos. Oceanic Technol., 25, 1785‒1807.Donelan, M. A 1977. A simple numerical model for wave and wind stress application. Report, National Water Research Institute, Burlington, Ontario, Canada, 28 pp.

IsoPlot: a database for comparison of mRNA isoforms in fruit fly and mosquitoes

PubMed Central

Ng, I-Man; Tsai, Shang-Chi

2017-01-01

Abstract Alternative splicing (AS), a mechanism by which different forms of mature messenger RNAs (mRNAs) are generated from the same gene, widely occurs in the metazoan genomes. Knowledge about isoform variants and abundance is crucial for understanding the functional context in the molecular diversity of the species. With increasing transcriptome data of model and non-model species, a database for visualization and comparison of AS events with up-to-date information is needed for further research. IsoPlot is a publicly available database with visualization tools for exploration of AS events, including three major species of mosquitoes, Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus, and fruit fly Drosophila melanogaster, the model insect species. IsoPlot includes not only 88,663 annotated transcripts but also 17,037 newly predicted transcripts from massive transcriptome data at different developmental stages of mosquitoes. The web interface enables users to explore the patterns and abundance of isoforms in different experimental conditions as well as cross-species sequence comparison of orthologous transcripts. IsoPlot provides a platform for researchers to access comprehensive information about AS events in mosquitoes and fruit fly. Our database is available on the web via an interactive user interface with an intuitive graphical design, which is applicable for the comparison of complex isoforms within or between species. Database URL: http://isoplot.iis.sinica.edu.tw/ PMID:29220459

Comparison of software models for energy savings from cool roofs

DOE PAGES

New, Joshua; Miller, William A.; Huang, Yu; ...

2015-06-07

For this study, a web-based Roof Savings Calculator (RSC) has been deployed for the United States Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. RSC simulates multiple roof and attic technologies for side-by-side comparison including reflective roofs, different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roof surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. Annual simulations of hour-by-hour, whole-building performance are used to provide estimated annual energy and cost savings from reduced HVAC use. While RSC reported similar cooling savingsmore » to other simulation engines, heating penalty varied significantly. RSC results show reduced cool roofing cost-effectiveness, thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC's projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus. Also included are comparisons to previous simulation-based studies, analysis of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model. Finally, radiant heat transfer and duct interaction not previously modeled is considered a major contributor to heating penalties.« less

Child-related cognitions and affective functioning of physically abusive and comparison parents.

PubMed

Haskett, Mary E; Smith Scott, Susan; Grant, Raven; Ward, Caryn Sabourin; Robinson, Canby

2003-06-01

The goal of this research was to utilize the cognitive behavioral model of abusive parenting to select and examine risk factors to illuminate the unique and combined influences of social cognitive and affective variables in predicting abuse group membership. Participants included physically abusive parents (n=56) and a closely-matched group of comparison parents (n=62). Social cognitive risk variables measured were (a) parent's expectations for children's abilities and maturity, (b) parental attributions of intentionality of child misbehavior, and (c) parents' perceptions of their children's adjustment. Affective risk variables included (a) psychopathology and (b) parenting stress. A series of logistic regression models were constructed to test the individual, combined, and interactive effects of risk variables on abuse group membership. The full set of five risk variables was predictive of abuse status; however, not all variables were predictive when considered individually and interactions did not contribute significantly to prediction. A risk composite score computed for each parent based on the five risk variables significantly predicted abuse status. Wide individual differences in risk across the five variables were apparent within the sample of abusive parents. Findings were generally consistent with a cognitive behavioral model of abuse, with cognitive variables being more salient in predicting abuse status than affective factors. Results point to the importance of considering diversity in characteristics of abusive parents.

PyPLIF: Python-based Protein-Ligand Interaction Fingerprinting.

PubMed

Radifar, Muhammad; Yuniarti, Nunung; Istyastono, Enade Perdana

2013-01-01

Structure-based virtual screening (SBVS) methods often rely on docking score. The docking score is an over-simplification of the actual ligand-target binding. Its capability to model and predict the actual binding reality is limited. Recently, interaction fingerprinting (IFP) has come and offered us an alternative way to model reality. IFP provides us an alternate way to examine protein-ligand interactions. The docking score indicates the approximate affinity and IFP shows the interaction specificity. IFP is a method to convert three dimensional (3D) protein-ligand interactions into one dimensional (1D) bitstrings. The bitstrings are subsequently employed to compare the protein-ligand interaction predicted by the docking tool against the reference ligand. These comparisons produce scores that can be used to enhance the quality of SBVS campaigns. However, some IFP tools are either proprietary or using a proprietary library, which limits the access to the tools and the development of customized IFP algorithm. Therefore, we have developed PyPLIF, a Python-based open source tool to analyze IFP. In this article, we describe PyPLIF and its application to enhance the quality of SBVS in order to identify antagonists for estrogen α receptor (ERα). PyPLIF is freely available at http://code.google.com/p/pyplif.

Estimating Temporal Causal Interaction between Spike Trains with Permutation and Transfer Entropy

PubMed Central

Li, Zhaohui; Li, Xiaoli

2013-01-01

Estimating the causal interaction between neurons is very important for better understanding the functional connectivity in neuronal networks. We propose a method called normalized permutation transfer entropy (NPTE) to evaluate the temporal causal interaction between spike trains, which quantifies the fraction of ordinal information in a neuron that has presented in another one. The performance of this method is evaluated with the spike trains generated by an Izhikevich’s neuronal model. Results show that the NPTE method can effectively estimate the causal interaction between two neurons without influence of data length. Considering both the precision of time delay estimated and the robustness of information flow estimated against neuronal firing rate, the NPTE method is superior to other information theoretic method including normalized transfer entropy, symbolic transfer entropy and permutation conditional mutual information. To test the performance of NPTE on analyzing simulated biophysically realistic synapses, an Izhikevich’s cortical network that based on the neuronal model is employed. It is found that the NPTE method is able to characterize mutual interactions and identify spurious causality in a network of three neurons exactly. We conclude that the proposed method can obtain more reliable comparison of interactions between different pairs of neurons and is a promising tool to uncover more details on the neural coding. PMID:23940662

A systematic comparison of two-equation Reynolds-averaged Navier-Stokes turbulence models applied to shock-cloud interactions

NASA Astrophysics Data System (ADS)

Goodson, Matthew D.; Heitsch, Fabian; Eklund, Karl; Williams, Virginia A.

2017-07-01

Turbulence models attempt to account for unresolved dynamics and diffusion in hydrodynamical simulations. We develop a common framework for two-equation Reynolds-averaged Navier-Stokes turbulence models, and we implement six models in the athena code. We verify each implementation with the standard subsonic mixing layer, although the level of agreement depends on the definition of the mixing layer width. We then test the validity of each model into the supersonic regime, showing that compressibility corrections can improve agreement with experiment. For models with buoyancy effects, we also verify our implementation via the growth of the Rayleigh-Taylor instability in a stratified medium. The models are then applied to the ubiquitous astrophysical shock-cloud interaction in three dimensions. We focus on the mixing of shock and cloud material, comparing results from turbulence models to high-resolution simulations (up to 200 cells per cloud radius) and ensemble-averaged simulations. We find that the turbulence models lead to increased spreading and mixing of the cloud, although no two models predict the same result. Increased mixing is also observed in inviscid simulations at resolutions greater than 100 cells per radius, which suggests that the turbulent mixing begins to be resolved.

Interactions of calcium and fulvic acid at the goethite-water interface

NASA Astrophysics Data System (ADS)

Weng, Li Ping; Koopal, Luuk K.; Hiemstra, Tjisse; Meeussen, Johannes C. L.; Van Riemsdijk, Willem H.

2005-01-01

Interactions of calcium and fulvic acid (Strichen ) with the surface of goethite were studied with batch and titration experiments. The mutual influence of the interactions on the adsorption of fulvic acid, calcium ions and protons were examined. Adsorption of the fulvic acid to goethite decreased with increase in pH (pH range 3-11). Addition of Ca (1.0 mM) at intermediate and high pH significantly enhanced the adsorption of fulvic acid. Compared to the adsorption to pure goethite, the presence of fulvic acid enhanced the adsorption of Ca significantly. In comparison to the simple linear sum of Ca bound to fulvic acid and goethite, the interactions between goethite and fulvic acid led to a reduced adsorption of Ca at low pH and an enhanced adsorption at high pH. With the adsorption of fulvic acid, protons were released at low pH and coadsorbed at high pH. When Ca was added, fewer protons were released at low pH and fewer coadsorbed at high pH. The experimental results can be adequately described using a surface complexation model, the Ligand and Charge Distribution (LCD) model, in which the CD-MUSIC model for ion adsorption to mineral oxides and the NICA model for ion binding to humics are integrated. In the model calculations, adequate descriptions of the ternary system data (Ca-fulvic acid-goethite) were obtained with parameters derived from three binary systems (fulvic acid-goethite, Ca-goethite and Ca-fulvic acid) without further adjustment. The model calculations suggest that the interactions between Ca and fulvic acid at the surface of goethite are mainly due to the electrostatic effects.

Receptor-based 3D QSAR analysis of estrogen receptor ligands - merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

NASA Astrophysics Data System (ADS)

Sippl, Wolfgang

2000-08-01

One of the major challenges in computational approaches to drug design is the accurate prediction of binding affinity of biomolecules. In the present study several prediction methods for a published set of estrogen receptor ligands are investigated and compared. The binding modes of 30 ligands were determined using the docking program AutoDock and were compared with available X-ray structures of estrogen receptor-ligand complexes. On the basis of the docking results an interaction energy-based model, which uses the information of the whole ligand-receptor complex, was generated. Several parameters were modified in order to analyze their influence onto the correlation between binding affinities and calculated ligand-receptor interaction energies. The highest correlation coefficient ( r 2 = 0.617, q 2 LOO = 0.570) was obtained considering protein flexibility during the interaction energy evaluation. The second prediction method uses a combination of receptor-based and 3D quantitative structure-activity relationships (3D QSAR) methods. The ligand alignment obtained from the docking simulations was taken as basis for a comparative field analysis applying the GRID/GOLPE program. Using the interaction field derived with a water probe and applying the smart region definition (SRD) variable selection, a significant and robust model was obtained ( r 2 = 0.991, q 2 LOO = 0.921). The predictive ability of the established model was further evaluated by using a test set of six additional compounds. The comparison with the generated interaction energy-based model and with a traditional CoMFA model obtained using a ligand-based alignment ( r 2 = 0.951, q 2 LOO = 0.796) indicates that the combination of receptor-based and 3D QSAR methods is able to improve the quality of the underlying model.

Interactions between soil thermal and hydrological dynamics in the response of Alaska ecosystems to fire disturbance

USGS Publications Warehouse

Yi, Shuhua; McGuire, A. David; Harden, Jennifer; Kasischke, Eric; Manies, Kristen L.; Hinzman, Larry; Liljedahl, Anna K.; Randerson, J.; Liu, Heping; Romanovsky, Vladimir E.; Marchenko, Sergey S.; Kim, Yongwon

2009-01-01

Soil temperature and moisture are important factors that control many ecosystem processes. However, interactions between soil thermal and hydrological processes are not adequately understood in cold regions, where the frozen soil, fire disturbance, and soil drainage play important roles in controlling interactions among these processes. These interactions were investigated with a new ecosystem model framework, the dynamic organic soil version of the Terrestrial Ecosystem Model, that incorporates an efficient and stable numerical scheme for simulating soil thermal and hydrological dynamics within soil profiles that contain a live moss horizon, fibrous and amorphous organic horizons, and mineral soil horizons. The performance of the model was evaluated for a tundra burn site that had both preburn and postburn measurements, two black spruce fire chronosequences (representing space-for-time substitutions in well and intermediately drained conditions), and a poorly drained black spruce site. Although space-for-time substitutions present challenges in model-data comparison, the model demonstrates substantial ability in simulating the dynamics of evapotranspiration, soil temperature, active layer depth, soil moisture, and water table depth in response to both climate variability and fire disturbance. Several differences between model simulations and field measurements identified key challenges for evaluating/improving model performance that include (1) proper representation of discrepancies between air temperature and ground surface temperature; (2) minimization of precipitation biases in the driving data sets; (3) improvement of the measurement accuracy of soil moisture in surface organic horizons; and (4) proper specification of organic horizon depth/properties, and soil thermal conductivity.

Modeling Adsorption-Desorption Processes at the Intermolecular Interactions Level

NASA Astrophysics Data System (ADS)

Varfolomeeva, Vera V.; Terentev, Alexey V.

2018-01-01

Modeling of the surface adsorption and desorption processes, as well as the diffusion, are of considerable interest for the physical phenomenon under study in ground tests conditions. When imitating physical processes and phenomena, it is important to choose the correct parameters to describe the adsorption of gases and the formation of films on the structural materials surface. In the present research the adsorption-desorption processes on the gas-solid interface are modeled with allowance for diffusion. Approaches are proposed to describe the adsorbate distribution on the solid body surface at the intermolecular interactions level. The potentials of the intermolecular interaction of water-water, water-methane and methane-methane were used to adequately modeling the real physical and chemical processes. The energies calculated by the B3LYP/aug-cc-pVDZ method. Computational algorithms for determining the average molecule area in a dense monolayer, are considered here. Differences in modeling approaches are also given: that of the proposed in this work and the previously approved probabilistic cellular automaton (PCA) method. It has been shown that the main difference is due to certain limitations of the PCA method. The importance of accounting the intermolecular interactions via hydrogen bonding has been indicated. Further development of the adsorption-desorption processes modeling will allow to find the conditions for of surface processes regulation by means of quantity adsorbed molecules control. The proposed approach to representing the molecular system significantly shortens the calculation time in comparison with the use of atom-atom potentials. In the future, this will allow to modeling the multilayer adsorption at a reasonable computational cost.

Online Simulations of Global Aerosol Distributions in the NASA GEOS-4 Model and Comparisons to Satellite and Ground-Based Aerosol Optical Depth

NASA Technical Reports Server (NTRS)

Colarco, Peter; daSilva, Arlindo; Chin, Mian; Diehl, Thomas

2010-01-01

We have implemented a module for tropospheric aerosols (GO CART) online in the NASA Goddard Earth Observing System version 4 model and simulated global aerosol distributions for the period 2000-2006. The new online system offers several advantages over the previous offline version, providing a platform for aerosol data assimilation, aerosol-chemistry-climate interaction studies, and short-range chemical weather forecasting and climate prediction. We introduce as well a methodology for sampling model output consistently with satellite aerosol optical thickness (AOT) retrievals to facilitate model-satellite comparison. Our results are similar to the offline GOCART model and to the models participating in the AeroCom intercomparison. The simulated AOT has similar seasonal and regional variability and magnitude to Aerosol Robotic Network (AERONET), Moderate Resolution Imaging Spectroradiometer, and Multiangle Imaging Spectroradiometer observations. The model AOT and Angstrom parameter are consistently low relative to AERONET in biomass-burning-dominated regions, where emissions appear to be underestimated, consistent with the results of the offline GOCART model. In contrast, the model AOT is biased high in sulfate-dominated regions of North America and Europe. Our model-satellite comparison methodology shows that diurnal variability in aerosol loading is unimportant compared to sampling the model where the satellite has cloud-free observations, particularly in sulfate-dominated regions. Simulated sea salt burden and optical thickness are high by a factor of 2-3 relative to other models, and agreement between model and satellite over-ocean AOT is improved by reducing the model sea salt burden by a factor of 2. The best agreement in both AOT magnitude and variability occurs immediately downwind of the Saharan dust plume.

Validity of Gō models: comparison with a solvent-shielded empirical energy decomposition.

PubMed

Paci, Emanuele; Vendruscolo, Michele; Karplus, Martin

2002-12-01

Do Gō-type model potentials provide a valid approach for studying protein folding? They have been widely used for this purpose because of their simplicity and the speed of simulations based on their use. The essential assumption in such models is that only contact interactions existing in the native state determine the energy surface of a polypeptide chain, even for non-native configurations sampled along folding trajectories. Here we use an all-atom molecular mechanics energy function to investigate the adequacy of Gō-type potentials. We show that, although the contact approximation is accurate, non-native contributions to the energy can be significant. The assumed relation between residue-residue interaction energies and the number of contacts between them is found to be only approximate. By contrast, individual residue energies correlate very well with the number of contacts. The results demonstrate that models based on the latter should give meaningful results (e.g., as used to interpret phi values), whereas those that depend on the former are only qualitative, at best.

Constraining heat-transport models by comparison to experimental data in a NIF hohlraum

NASA Astrophysics Data System (ADS)

Farmer, W. A.; Jones, O. S.; Barrios Garcia, M. A.; Koning, J. M.; Kerbel, G. D.; Strozzi, D. J.; Hinkel, D. E.; Moody, J. D.; Suter, L. J.; Liedahl, D. A.; Moore, A. S.; Landen, O. L.

2017-10-01

The accurate simulation of hohlraum plasma conditions is important for predicting the partition of energy and the symmetry of the x-ray field within a hohlraum. Electron heat transport within the hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. Here, we report simulation results using the radiation-hydrodynamic code, HYDRA, utilizing various physics packages (e.g., nonlocal Schurtz model, MHD, flux limiters) and compare to data from hohlraum plasma experiments which contain a Mn-Co tracer dot. In these experiments, the dot is placed in various positions in the hohlraum in order to assess the spatial variation of plasma conditions. Simulated data is compared to a variety of experimental diagnostics. Conclusions are given concerning how the experimental data does and does not constrain the physics models examined. This work was supported by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Ω and ϕ in Au + Au collisions at and 11.5 GeV from a multiphase transport model

NASA Astrophysics Data System (ADS)

Ye, Y. J.; Chen, J. H.; Ma, Y. G.; Zhang, S.; Zhong, C.

2017-08-01

Within the framework of a multiphase transport model, we study the production and properties of Ω and ϕ in Au + Au collisions with a new set of parameters for and with the original set of parameters for . The AMPT model with string melting provides a reasonable description at , while the default AMPT model describes the data well at . This indicates that the system created at top RHIC energy is dominated by partonic interactions, while hadronic interactions become important at lower beam energy, such as . The comparison of N(Ω++Ω-)/[2N(ϕ)] ratio between data and calculations further supports the argument. Our calculations can generally describe the data of nuclear modification factor as well as elliptic flow. Supported by National Natural Science Foundation of China (11421505, 11520101004, 11220101005, 11275250, 11322547), Major State Basic Research Development Program in China (2014CB845400, 2015CB856904) and Key Research Program of Frontier Sciences of CAS (QYZDJSSW-SLH002)

Modeling and complexity of stochastic interacting Lévy type financial price dynamics

NASA Astrophysics Data System (ADS)

Wang, Yiduan; Zheng, Shenzhou; Zhang, Wei; Wang, Jun; Wang, Guochao

2018-06-01

In attempt to reproduce and investigate nonlinear dynamics of security markets, a novel nonlinear random interacting price dynamics, which is considered as a Lévy type process, is developed and investigated by the combination of lattice oriented percolation and Potts dynamics, which concerns with the instinctive random fluctuation and the fluctuation caused by the spread of the investors' trading attitudes, respectively. To better understand the fluctuation complexity properties of the proposed model, the complexity analyses of random logarithmic price return and corresponding volatility series are preformed, including power-law distribution, Lempel-Ziv complexity and fractional sample entropy. In order to verify the rationality of the proposed model, the corresponding studies of actual security market datasets are also implemented for comparison. The empirical results reveal that this financial price model can reproduce some important complexity features of actual security markets to some extent. The complexity of returns decreases with the increase of parameters γ1 and β respectively, furthermore, the volatility series exhibit lower complexity than the return series

Light hadron spectra in the constituent quark model with the Kobayashi-Kondo-Maskawa-'t Hooft effective U {sub A} (1) symmetry breaking interaction

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

Dmitrasinovic, V.; Toki, H.; Research Center for Nuclear Physics, Osaka University, Ibaraki, Osaka 567-0047

2006-02-15

We make a critical comparison of several versions of instanton-induced interactions present in the literature, all based on ITEP group's extension to three colours and flavours of 't Hooft's effective lagrangian, with the predictions of the phenomenological Kobayashi-Kondo-Maskawa (KKM) chiral quark lagrangian. We analyze the effects of all versions of the effective U {sub A} (1) symmetry breaking interactions on light hadron spectra in the non-relativistic constituent quark model. We show that the KKMT force, when used as a residual hyperfine interaction reproduces the correct ordering of pseudoscalar and vector mesons even without explicitly taking chiral symmetry into account. Moreover,more » the nucleon spectra are also correctly reproduced, only the Roper resonance remains too high, albeit lower than usual, at 1660 MeV. The latter's lower than expected mass is not due to a small excitation energy, as in the Glozman-Riska (GR) model, but to a combination of colour, flavour, and spatial wave function properties that enhance the relevant matrix elements. The KKMT interaction explicitly depends on flavour and spin of the quarks, but unlike the GR flavour-spin one it has a firm footing in QCD. In the process we provide several technical advances, in particular we show the first explicit derivation of the three-body Fierz transformation and apply it to the KKM interaction. We also discuss the ambiguities associated with the colour degree of freedom.« less

Interferometric data for a shock-wave/boundary-layer interaction

NASA Technical Reports Server (NTRS)

Dunagan, Stephen E.; Brown, James L.; Miles, John B.

1986-01-01

An experimental study of the axisymmetric shock-wave / boundary-layer strong interaction flow generated in the vicinity of a cylinder-cone intersection was conducted. The study data are useful in the documentation and understanding of compressible turbulent strong interaction flows, and are part of a more general effort to improve turbulence modeling for compressible two- and three-dimensional strong viscous/inviscid interactions. The nominal free stream Mach number was 2.85. Tunnel total pressures of 1.7 and 3.4 atm provided Reynolds number values of 18 x 10(6) and 36 x 10(6) based on model length. Three cone angles were studied giving negligible, incipient, and large scale flow separation. The initial cylinder boundary layer upstream of the interaction had a thickness of 1.0 cm. The subsonic layer of the cylinder boundary layer was quite thin, and in all cases, the shock wave penetrated a significant portion of the boundary layer. Owing to the thickness of the cylinder boundary layer, considerable structural detail was resolved for the three shock-wave / boundary-layer interaction cases considered. The primary emphasis was on the application of the holographic interferometry technique. The density field was deduced from an interferometric analysis based on the Able transform. Supporting data were obtained using a 2-D laser velocimeter, as well as mean wall pressure and oil flow measurements. The attached flow case was observed to be steady, while the separated cases exhibited shock unsteadiness. Comparisons with Navier-Stokes computations using a two-equation turbulence model are presented.

Performance Comparison of the European Storm Surge Models and Chaotic Model in Forecasting Extreme Storm Surges

NASA Astrophysics Data System (ADS)

Siek, M. B.; Solomatine, D. P.

2009-04-01

Storm surge modeling has rapidly developed considerably over the past 30 years. A number of significant advances on operational storm surge models have been implemented and tested, consisting of: refining computational grids, calibrating the model, using a better numerical scheme (i.e. more realistic model physics for air-sea interaction), implementing data assimilation and ensemble model forecasts. This paper addresses the performance comparison between the existing European storm surge models and the recently developed methods of nonlinear dynamics and chaos theory in forecasting storm surge dynamics. The chaotic model is built using adaptive local models based on the dynamical neighbours in the reconstructed phase space of observed time series data. The comparison focused on the model accuracy in forecasting a recently extreme storm surge in the North Sea on November 9th, 2007 that hit the coastlines of several European countries. The combination of a high tide, north-westerly winds exceeding 50 mph and low pressure produced an exceptional storm tide. The tidal level was exceeded 3 meters above normal sea levels. Flood warnings were issued for the east coast of Britain and the entire Dutch coast. The Maeslant barrier's two arc-shaped steel doors in the Europe's biggest port of Rotterdam was closed for the first time since its construction in 1997 due to this storm surge. In comparison to the chaotic model performance, the forecast data from several European physically-based storm surge models were provided from: BSH Germany, DMI Denmark, DNMI Norway, KNMI Netherlands and MUMM Belgium. The performance comparison was made over testing datasets for two periods/conditions: non-stormy period (1-Sep-2007 till 14-Oct-2007) and stormy period (15-Oct-2007 till 20-Nov-2007). A scalar chaotic model with optimized parameters was developed by utilizing an hourly training dataset of observations (11-Sep-2005 till 31-Aug-2007). The comparison results indicated the chaotic model yields better forecasts than the existing European storm surge models. The best performance of European storm surge models for non-storm and storm conditions was achieved by KNMI (with Kalman filter data assimilation) and BSH with errors of 8.95cm and 10.92cm, respectively. Whereas the chaotic model can provide 6 and 48 hours forecasts with errors of 3.10cm and 8.55cm for non-storm condition and 5.04cm and 15.21cm for storm condition, respectively. The chaotic model can provide better forecasts primarily due to the fact that the chaotic model forecasting are estimated by local models which model and identify the similar development of storm surges in the past. In practice, the chaotic model can serve as a reliable and accurate model to support decision-makers in operational ship navigation and flood forecasting.

A simplistic model for identifying prominent web users in directed multiplex social networks: a case study using Twitter networks

NASA Astrophysics Data System (ADS)

Loucif, Hemza; Boubetra, Abdelhak; Akrouf, Samir

2016-10-01

This paper aims to describe a new simplistic model dedicated to gauge the online influence of Twitter users based on a mixture of structural and interactional features. The model is an additive mathematical formulation which involves two main parts. The first part serves to measure the influence of the Twitter user on just his neighbourhood covering his followers. However, the second part evaluates the potential influence of the Twitter user beyond the circle of his followers. Particularly, it measures the likelihood that the tweets of the Twitter user will spread further within the social graph through the retweeting process. The model is tested on a data set involving four kinds of real-world egocentric networks. The empirical results reveal that an active ordinary user is more prominent than a non-active celebrity one. A simple comparison is conducted between the proposed model and two existing simplistic approaches. The results show that our model generates the most realistic influence scores due to its dealing with both explicit (structural and interactional) and implicit features.

A Location-Based Interactive Model of Internet of Things and Cloud (IoT-Cloud) for Mobile Cloud Computing Applications.

PubMed

Dinh, Thanh; Kim, Younghan; Lee, Hyukjoon

2017-03-01

This paper presents a location-based interactive model of Internet of Things (IoT) and cloud integration (IoT-cloud) for mobile cloud computing applications, in comparison with the periodic sensing model. In the latter, sensing collections are performed without awareness of sensing demands. Sensors are required to report their sensing data periodically regardless of whether or not there are demands for their sensing services. This leads to unnecessary energy loss due to redundant transmission. In the proposed model, IoT-cloud provides sensing services on demand based on interest and location of mobile users. By taking advantages of the cloud as a coordinator, sensing scheduling of sensors is controlled by the cloud, which knows when and where mobile users request for sensing services. Therefore, when there is no demand, sensors are put into an inactive mode to save energy. Through extensive analysis and experimental results, we show that the location-based model achieves a significant improvement in terms of network lifetime compared to the periodic model.

Body size affects the strength of social interactions and spatial organization of a schooling fish (Pseudomugil signifer)

NASA Astrophysics Data System (ADS)

Romenskyy, Maksym; Herbert-Read, James E.; Ward, Ashley J. W.; Sumpter, David J. T.

2017-04-01

While a rich variety of self-propelled particle models propose to explain the collective motion of fish and other animals, rigorous statistical comparison between models and data remains a challenge. Plausible models should be flexible enough to capture changes in the collective behaviour of animal groups at their different developmental stages and group sizes. Here, we analyse the statistical properties of schooling fish (Pseudomugil signifer) through a combination of experiments and simulations. We make novel use of a Boltzmann inversion method, usually applied in molecular dynamics, to identify the effective potential of the mean force of fish interactions. Specifically, we show that larger fish have a larger repulsion zone, but stronger attraction, resulting in greater alignment in their collective motion. We model the collective dynamics of schools using a self-propelled particle model, modified to include varying particle speed and a local repulsion rule. We demonstrate that the statistical properties of the fish schools are reproduced by our model, thereby capturing a number of features of the behaviour and development of schooling fish.

Geant4 hadronic physics for space radiation environment.

PubMed

Ivantchenko, Anton V; Ivanchenko, Vladimir N; Molina, Jose-Manuel Quesada; Incerti, Sebastien L

2012-01-01

To test and to develop Geant4 (Geometry And Tracking version 4) Monte Carlo hadronic models with focus on applications in a space radiation environment. The Monte Carlo simulations have been performed using the Geant4 toolkit. Binary (BIC), its extension for incident light ions (BIC-ion) and Bertini (BERT) cascades were used as main Monte Carlo generators. For comparisons purposes, some other models were tested too. The hadronic testing suite has been used as a primary tool for model development and validation against experimental data. The Geant4 pre-compound (PRECO) and de-excitation (DEE) models were revised and improved. Proton, neutron, pion, and ion nuclear interactions were simulated with the recent version of Geant4 9.4 and were compared with experimental data from thin and thick target experiments. The Geant4 toolkit offers a large set of models allowing effective simulation of interactions of particles with matter. We have tested different Monte Carlo generators with our hadronic testing suite and accordingly we can propose an optimal configuration of Geant4 models for the simulation of the space radiation environment.

Molecular design of two sterol 14α-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole

NASA Astrophysics Data System (ADS)

Rupp, Bernd; Raub, Stephan; Marian, Christel; Höltje, Hans-Dieter

2005-03-01

Sterol 14α-demethylase (CYP51) is one of the known major targets for azole antifungals. Therapeutic side effects of these antifungals are based on interactions of the azoles with the human analogue enzyme. This study describes for the first time a comparison of a human CYP51 (HU-CYP51) homology model with a homology model of the fungal CYP51 of Candida albicans (CA-CYP51). Both models are constructed by using the crystal structure of Mycobacterium tuberculosis MT-CYP51 (PDB code: 1EA1). The binding mode of the azole ketoconazole is investigated in molecular dynamics simulations with the GROMACS force field. The usage of special parameters for the iron azole complex binding is necessary to obtain the correct complex geometry in the active site of the enzyme models. Based on the dynamics simulations it is possible to explain the enantioselectivity of the human enzyme and also to predict the binding mode of the isomers of ketoconazole in the active site of the fungal model.

A Location-Based Interactive Model of Internet of Things and Cloud (IoT-Cloud) for Mobile Cloud Computing Applications †

PubMed Central

Dinh, Thanh; Kim, Younghan; Lee, Hyukjoon

2017-01-01

This paper presents a location-based interactive model of Internet of Things (IoT) and cloud integration (IoT-cloud) for mobile cloud computing applications, in comparison with the periodic sensing model. In the latter, sensing collections are performed without awareness of sensing demands. Sensors are required to report their sensing data periodically regardless of whether or not there are demands for their sensing services. This leads to unnecessary energy loss due to redundant transmission. In the proposed model, IoT-cloud provides sensing services on demand based on interest and location of mobile users. By taking advantages of the cloud as a coordinator, sensing scheduling of sensors is controlled by the cloud, which knows when and where mobile users request for sensing services. Therefore, when there is no demand, sensors are put into an inactive mode to save energy. Through extensive analysis and experimental results, we show that the location-based model achieves a significant improvement in terms of network lifetime compared to the periodic model. PMID:28257067

Interaction between Wine Phenolic Acids and Salivary Proteins by Saturation-Transfer Difference Nuclear Magnetic Resonance Spectroscopy (STD-NMR) and Molecular Dynamics Simulations.

PubMed

Ferrer-Gallego, Raúl; Hernández-Hierro, José Miguel; Brás, Natércia F; Vale, Nuno; Gomes, Paula; Mateus, Nuno; de Freitas, Victor; Heredia, Francisco J; Escribano-Bailón, María Teresa

2017-08-09

The interaction between phenolic compounds and salivary proteins is highly related to the astringency perception. Recently, it has been proven the existence of synergisms on the perceived astringency when phenolic acids were tested as mixtures in comparison to individual compounds, maintaining constant the total amount of the stimulus. The interactions between wine phenolic acids and the peptide fragment IB7 12 have been studied by saturation-transfer difference (STD) NMR spectroscopy. This technique provided the dissociation constants and the percentage of interaction between both individual and mixtures of hydroxybenzoic and hydroxycinnamic acids and the model peptide. It is noteworthy that hydroxybenzoic acids showed higher affinity for the peptide than hydroxycinnamic acids. To obtain further insights into the mechanisms of interaction, molecular dynamics simulations have been performed. Results obtained not only showed the ability of these compounds to interact with salivary proteins but also may justify the synergistic effect observed in previous sensory studies.

Modeling the Hot Tensile Flow Behaviors at Ultra-High-Strength Steel and Construction of Three-Dimensional Continuous Interaction Space for Forming Parameters

NASA Astrophysics Data System (ADS)

Quan, Guo-zheng; Zhan, Zong-yang; Wang, Tong; Xia, Yu-feng

2017-01-01

The response of true stress to strain rate, temperature and strain is a complex three-dimensional (3D) issue, and the accurate description of such constitutive relationships significantly contributes to the optimum process design. To obtain the true stress-strain data of ultra-high-strength steel, BR1500HS, a series of isothermal hot tensile tests were conducted in a wide temperature range of 973-1,123 K and a strain rate range of 0.01-10 s-1 on a Gleeble 3800 testing machine. Then the constitutive relationships were modeled by an optimally constructed and well-trained backpropagation artificial neural network (BP-ANN). The evaluation of BP-ANN model revealed that it has admirable performance in characterizing and predicting the flow behaviors of BR1500HS. A comparison on improved Arrhenius-type constitutive equation and BP-ANN model shows that the latter has higher accuracy. Consequently, the developed BP-ANN model was used to predict abundant stress-strain data beyond the limited experimental conditions. Then a 3D continuous interaction space for temperature, strain rate, strain and stress was constructed based on these predicted data. The developed 3D continuous interaction space for hot working parameters contributes to fully revealing the intrinsic relationships of BR1500HS steel.

Effective connectivity of ascending and descending frontal-thalamic pathways during sustained attention: Complex brain network interactions in adolescence

PubMed Central

Jagtap, Pranav; Diwadkar, Vaibhav A.

2016-01-01

Frontal-thalamic interactions are crucial for bottom-up gating and top-down control, yet have not been well studied from brain network perspectives. We applied network modeling of fMRI signals (Dynamic Causal Modeling; DCM) to investigate frontal-thalamic interactions during an attention task with parametrically varying levels of demand. fMRI was collected while subjects participated in a sustained continuous performance task with low and high attention demands. 162 competing model architectures were employed in DCM to evaluate hypotheses on bilateral frontal-thalamic connections and their modulation by attention demand, selected at a second level using Bayesian Model Selection. The model architecture evinced significant contextual modulation by attention of ascending (thalamus → dPFC) and descending (dPFC → thalamus) pathways. However, modulation of these pathways was asymmetric: While positive modulation of the ascending pathway was comparable across attention demand, modulation of the descending pathway was significantly greater when attention demands were increased. Increased modulation of the (dPFC → thalamus) pathway in response to increased attention demand constitutes novel evidence of attention-related gain in the connectivity of the descending attention pathway. By comparison demand-independent modulation of the ascending (thalamus → dPFC) pathway suggests unbiased thalamic inputs to the cortex in the context of the paradigm. PMID:27145923

Fuel Injector: Air swirl characterization aerothermal modeling, phase 2, volume 2

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Mcdonell, V. G.; Samuelson, G. S.

1993-01-01

A well integrated experimental/analytical investigation was conducted to provide benchmark quality data relevant to prefilming type airblast fuel nozzle and its interaction with combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) equipment was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM) and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.

Quantum model of a hysteresis in a single-domain magnetically soft ferromagnetic

NASA Astrophysics Data System (ADS)

Ignatiev, V. K.; Lebedev, N. G.; Orlov, A. A.

2018-01-01

A quantum model of a single-domain magnetically soft ferromagnetic is proposed. The α-Fe crystal in a state of the saturation magnetization and a variable magnetic field is considered as a sample. The method of an effective Hamiltonian, including the operators of the Zeeman energy, the spin-orbit interaction and the interaction with the crystal field, is used in the model. An expansion of trial single-electron wave function in a series in small parameter of the spin-orbit interaction is suggested to account for the magnetic anisotropy. Within the framework of the Heisenberg representation, the nonlinear equations of motion for the magnetization and the orbital moment of single domain are obtained. Parameters of the modelling Hamiltonian are found from a comparison with experimental data on the magnetic anisotropy of iron. A phenomenological term of the magnetic friction is introduced into equation of the magnetization motion. Nonlinear equations are solved numerically by the Runge-Kutta method. A dependence of the single domain magnetization on magnetic field intensity has a characteristic form of a hysteresis loop which parameters are quantitatively coordinated with experimental data of researches of magnetic properties of nanoparticles of iron and iron oxide. The method is extended for modelling the magnetization dynamics of multi-domain ferromagnetic in the approximation of a strong crystal field.

Fuel injector: Air swirl characterization aerothermal modeling, phase 2, volume 1

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Mcdonell, V. G.; Samuelsen, G. S.

1993-01-01

A well integrated experimental/analytical investigation was conducted to provide benchmark quality relevant to a prefilming type airblast fuel nozzle and its interaction with the combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM), and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.

Optical model potential analysis of n ¯ A and n A interactions

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

Lee, Teck-Ghee; Wong, Cheuk-Yin

In this study, we use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutronmore » $$\\overline{n}$$ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta p lab ≲ 500 MeV / c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997)] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002)] which exhibit an interesting dependence of the cross sections on p lab as well as on the target mass number A. We also obtain the neutron (n) nonelastic reaction cross sections for the same targets. Comparing the $nA$ reaction cross sections σ$$nA\\atop{rec}$$ to the $$\\overline{n}A$$ annihilation cross sections σ $$\\overline{n}A$$ ann, we find that σ $$\\overline{n}A$$ ann is significantly larger than σ$$nA\\atop{rec}$$, that is, theσ $$\\overline{n}A$$ ann / σ$$nA\\atop{rec}$$ cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the $$\\overline{n}$$ annihilation cross section on the projectile charge is also examined in comparison with the antiproton $$\\overline{p}$$. Here we predict the $$\\overline{p}A$$ annihilation cross section on the simplest assumption that both $$\\overline{p}A$$ and $$\\overline{n}A$$ interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Finally, deviation from a such simple model extrapolation in measurements will provide new information on the difference between $$\\overline{n}A$$ and $$\\overline{p}A$$ potentials.« less

Optical model potential analysis of n ¯A and n A interactions

NASA Astrophysics Data System (ADS)

Lee, Teck-Ghee; Wong, Cheuk-Yin

2018-05-01

We use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutron n ¯ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta plab ≲500 MeV /c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997), 10.1016/S0375-9474(96)00331-4] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002), 10.1016/S0375-9474(01)01252-0] which exhibit an interesting dependence of the cross sections on plab as well as on the target mass number A . We also obtain the neutron (n ) nonelastic reaction cross sections for the same targets. Comparing the n A reaction cross sections σrecn A to the n ¯A annihilation cross sections σannn ¯A, we find that σannn ¯A is significantly larger than σrecn A, that is, the σannn ¯A/σrecn A cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the n ¯ annihilation cross section on the projectile charge is also examined in comparison with the antiproton p ¯. Here we predict the p ¯A annihilation cross section on the simplest assumption that both p ¯A and n ¯A interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Deviation from a such simple model extrapolation in measurements will provide new information on the difference between n ¯A and p ¯A potentials.

Optical model potential analysis of n ¯ A and n A interactions

DOE PAGES

Lee, Teck-Ghee; Wong, Cheuk-Yin

2018-05-25

In this study, we use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutronmore » $$\\overline{n}$$ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta p lab ≲ 500 MeV / c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997)] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002)] which exhibit an interesting dependence of the cross sections on p lab as well as on the target mass number A. We also obtain the neutron (n) nonelastic reaction cross sections for the same targets. Comparing the $nA$ reaction cross sections σ$$nA\\atop{rec}$$ to the $$\\overline{n}A$$ annihilation cross sections σ $$\\overline{n}A$$ ann, we find that σ $$\\overline{n}A$$ ann is significantly larger than σ$$nA\\atop{rec}$$, that is, theσ $$\\overline{n}A$$ ann / σ$$nA\\atop{rec}$$ cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the $$\\overline{n}$$ annihilation cross section on the projectile charge is also examined in comparison with the antiproton $$\\overline{p}$$. Here we predict the $$\\overline{p}A$$ annihilation cross section on the simplest assumption that both $$\\overline{p}A$$ and $$\\overline{n}A$$ interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Finally, deviation from a such simple model extrapolation in measurements will provide new information on the difference between $$\\overline{n}A$$ and $$\\overline{p}A$$ potentials.« less

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations

PubMed Central

Del Bello, Elisabetta; Taddeucci, Jacopo; de’ Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-01

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕp) ranging 10−7-10−3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕp ~ 10−3. Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕp. Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕp. These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters. PMID:28045056

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations.

PubMed

Del Bello, Elisabetta; Taddeucci, Jacopo; De' Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-03

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕ p ) ranging 10 -7 -10 -3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕ p  ~ 10 -3 . Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕ p . Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕ p . These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters.

Model Hamiltonian Calculations of the Nonlinear Polarizabilities of Conjugated Molecules.

NASA Astrophysics Data System (ADS)

Risser, Steven Michael

This dissertation advances the theoretical knowledge of the nonlinear polarizabilities of conjugated molecules. The unifying feature of these molecules is an extended delocalized pi electron structure. The pi electrons dominate the electronic properties of the molecules, allowing prediction of molecular properties based on the treatment of just the pi electrons. Two separate pi electron Hamiltonians are used in the research. The principal Hamiltonian used is the non-interacting single-particle Huckel Hamiltonian, which replaces the Coulomb interaction among the pi electrons with a mean field interaction. The simplification allows for exact solution of the Hamiltonian for large molecules. The second Hamiltonian used for this research is the interacting multi-particle Pariser-Parr-Pople (PPP) Hamiltonian, which retains explicit Coulomb interactions. This limits exact solutions to molecules containing at most eight electrons. The molecular properties being investigated are the linear polarizability, and the second and third order hyperpolarizabilities. The hyperpolarizabilities determine the nonlinear optical response of materials. These molecular parameters are determined by two independent approaches. The results from the Huckel Hamiltonian are obtained through first, second and third order perturbation theory. The results from the PPP Hamiltonian are obtained by including the applied field directly in the Hamiltonian and determining the ground state energy at a series of field strengths. By fitting the energy to a polynomial in field strength, the polarizability and hyperpolarizabilities are determined. The Huckel Hamiltonian is used to calculate the third order hyperpolarizability of polyenes. These calculations were the first to show the average hyperpolarizability of the polyenes to be positive, and also to show the saturation of the hyperpolarizability. Comparison of these Huckel results to those from the PPP Hamiltonian shows the lack of explicit Coulomb interactions in the Huckel Hamiltonian results in calculated hyperpolarizabilities that are much larger than the experimentally determined values. Comparison of hyperpolarizabilities calculated for small benzene derivatives using both the Huckel and PPP Hamiltonians shows that inclusion of explicit Coulomb interactions is not as significant for aromatic molecules. This assertion is supported by comparison of the calculated results to the experimentally determined values. This allows for predictions of the hyperpolarizability of various liquid crystal molecules to be made.

Local Soils Information Needed to Define the Root Zone in Process Models on the Gulf Coastal Plain

Treesearch

Mary Anne Sword Sayer; Allan E. Tiarks

2002-01-01

We combined published information and our own experimental results from the Gulf Coastal Plain to evaluate how soil aeration and strength interact with loblolly pine root growth. Our results demonstrate that soil aeration and strength differ by soil series and year and are subject to vertical and horizontal spatial variation. Comparison of loblolly pine root phenology...

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

Hormain, Laureline; Monnerville, Maurice, E-mail: maurice.monnerville@univ-lille1.fr; Toubin, Céline

The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl{sub 2} molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl{sub 2} − H{sub 2}O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by themore » comparison of ab initio results of Cl{sub 2} interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl{sub 2} on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.« less

Comparison of $$\

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

Adams, C.; et al.

We measure a large set of observables in inclusive charged current muon neutrino scattering on argon with the MicroBooNE liquid argon time projection chamber operating at Fermilab. We evaluate three neutrino interaction models based on the widely used GENIE event generator using these observables. The measurement uses a data set consisting of neutrino interactions with a final state muon candidate fully contained within the MicroBooNE detector. These data were collected in 2016 with the Fermilab Booster Neutrino Beam, which has an average neutrino energy of 800 MeV, using an exposure corresponding to 5e19 protons-on-target. The analysis employs fully automatic eventmore » selection and charged particle track reconstruction and uses a data-driven technique to separate neutrino interactions from cosmic ray background events. We find that GENIE models consistently describe the shapes of a large number of kinematic distributions for fixed observed multiplicity, but we show an indication that the observed multiplicity fractions deviate from GENIE expectations.« less

Cohesiveness tunes assembly and morphology of FG nucleoporin domain meshworks – Implications for nuclear pore permeability

PubMed Central

Eisele, Nico B.; Labokha, Aksana A.; Frey, Steffen; Görlich, Dirk; Richter, Ralf P.

2013-01-01

Nuclear pore complexes control the exchange of macromolecules between the cytoplasm and the nucleus. A selective permeability barrier that arises from a supramolecular assembly of intrinsically unfolded nucleoporin domains rich in phenylalanine-glycine dipeptides (FG domains) fills the nuclear pore. There is increasing evidence that selective transport requires cohesive FG domain interactions. To understand the functional roles of cohesive interactions, we studied monolayers of end-grafted FG domains as a bottom-up nanoscale model system of the permeability barrier. Based on detailed physicochemical analysis of the model films and comparison of the data with polymer theory, we propose that cohesiveness is tuned to promote rapid assembly of the permeability barrier and to generate a stable and compact pore-filling meshwork with a small mesh size. Our results highlight the functional importance of weak interactions, typically a few kBT per chain, and contribute important information to understand the mechanism of size-selective transport. PMID:24138862

On plasma disturbances caused by the motion of the Space Shuttle and small satellites - A comparison of in situ observations

NASA Technical Reports Server (NTRS)

Samir, U.; Stone, N. H.; Wright, K. H., Jr.

1986-01-01

Recent results regarding the interactions between a body and its environmental space plasma, made by charged particle probes mounted in the bay of the Space Shuttle Orbiter Columbia (STS 3 mission), are compared with earlier results, obtained from small ionospheric satellites, in an attempt to widen our scope of knowledge and understanding regarding such interactions. The objective is to work toward a unified model of body-space plasma interactions in the solar system covering a variety of plasma and body conditions. The comparisons focus mainly on (1) the (wake/ram) current ratio; (2) the generation of charged particle density fluctuations (indicative of plasma turbulence) around the body; and (3) the increase in electron temperature ahead and in the wake of the satellite. The main results of the comparison are that (1) the (wake/ram) current ratio (or current depletion in the wake) for the Orbiter is 1 to 2 orders of magnitude larger than the ratio for small ionospheric satellites; and (2) fluctuations in density (or turbulence) are observed for both 'large body' (Shuttle Orbiter) and 'smaller body' (standard ionospheric satellites). However, the cause of the turbulence may not be the same for both cases; (3) the results for the electronic temperature enhancement due to the Shuttle Orbiter are in contrast with measurements from smaller ionospheric satellites. A path to follow in future Shuttle experiments is suggested and caution that care be taken in interpreting local particle and field measurements.

Comparisons of Lagrangian and Eulerian PDF methods in simulations of non-premixed turbulent jet flames with moderate-to-strong turbulence-chemistry interactions

NASA Astrophysics Data System (ADS)

Jaishree, J.; Haworth, D. C.

2012-06-01

Transported probability density function (PDF) methods have been applied widely and effectively for modelling turbulent reacting flows. In most applications of PDF methods to date, Lagrangian particle Monte Carlo algorithms have been used to solve a modelled PDF transport equation. However, Lagrangian particle PDF methods are computationally intensive and are not readily integrated into conventional Eulerian computational fluid dynamics (CFD) codes. Eulerian field PDF methods have been proposed as an alternative. Here a systematic comparison is performed among three methods for solving the same underlying modelled composition PDF transport equation: a consistent hybrid Lagrangian particle/Eulerian mesh (LPEM) method, a stochastic Eulerian field (SEF) method and a deterministic Eulerian field method with a direct-quadrature-method-of-moments closure (a multi-environment PDF-MEPDF method). The comparisons have been made in simulations of a series of three non-premixed, piloted methane-air turbulent jet flames that exhibit progressively increasing levels of local extinction and turbulence-chemistry interactions: Sandia/TUD flames D, E and F. The three PDF methods have been implemented using the same underlying CFD solver, and results obtained using the three methods have been compared using (to the extent possible) equivalent physical models and numerical parameters. Reasonably converged mean and rms scalar profiles are obtained using 40 particles per cell for the LPEM method or 40 Eulerian fields for the SEF method. Results from these stochastic methods are compared with results obtained using two- and three-environment MEPDF methods. The relative advantages and disadvantages of each method in terms of accuracy and computational requirements are explored and identified. In general, the results obtained from the two stochastic methods (LPEM and SEF) are very similar, and are in closer agreement with experimental measurements than those obtained using the MEPDF method, while MEPDF is the most computationally efficient of the three methods. These and other findings are discussed in detail.

Comparative Study on Interaction of Form and Motion Processing Streams by Applying Two Different Classifiers in Mechanism for Recognition of Biological Movement

PubMed Central

2014-01-01

Research on psychophysics, neurophysiology, and functional imaging shows particular representation of biological movements which contains two pathways. The visual perception of biological movements formed through the visual system called dorsal and ventral processing streams. Ventral processing stream is associated with the form information extraction; on the other hand, dorsal processing stream provides motion information. Active basic model (ABM) as hierarchical representation of the human object had revealed novelty in form pathway due to applying Gabor based supervised object recognition method. It creates more biological plausibility along with similarity with original model. Fuzzy inference system is used for motion pattern information in motion pathway creating more robustness in recognition process. Besides, interaction of these paths is intriguing and many studies in various fields considered it. Here, the interaction of the pathways to get more appropriated results has been investigated. Extreme learning machine (ELM) has been implied for classification unit of this model, due to having the main properties of artificial neural networks, but crosses from the difficulty of training time substantially diminished in it. Here, there will be a comparison between two different configurations, interactions using synergetic neural network and ELM, in terms of accuracy and compatibility. PMID:25276860

An Efficient Test for Gene-Environment Interaction in Generalized Linear Mixed Models with Family Data.

PubMed

Mazo Lopera, Mauricio A; Coombes, Brandon J; de Andrade, Mariza

2017-09-27

Gene-environment (GE) interaction has important implications in the etiology of complex diseases that are caused by a combination of genetic factors and environment variables. Several authors have developed GE analysis in the context of independent subjects or longitudinal data using a gene-set. In this paper, we propose to analyze GE interaction for discrete and continuous phenotypes in family studies by incorporating the relatedness among the relatives for each family into a generalized linear mixed model (GLMM) and by using a gene-based variance component test. In addition, we deal with collinearity problems arising from linkage disequilibrium among single nucleotide polymorphisms (SNPs) by considering their coefficients as random effects under the null model estimation. We show that the best linear unbiased predictor (BLUP) of such random effects in the GLMM is equivalent to the ridge regression estimator. This equivalence provides a simple method to estimate the ridge penalty parameter in comparison to other computationally-demanding estimation approaches based on cross-validation schemes. We evaluated the proposed test using simulation studies and applied it to real data from the Baependi Heart Study consisting of 76 families. Using our approach, we identified an interaction between BMI and the Peroxisome Proliferator Activated Receptor Gamma ( PPARG ) gene associated with diabetes.

A modeling framework for the establishment and spread of invasive species in heterogeneous environments.

PubMed

Lustig, Audrey; Worner, Susan P; Pitt, Joel P W; Doscher, Crile; Stouffer, Daniel B; Senay, Senait D

2017-10-01

Natural and human-induced events are continuously altering the structure of our landscapes and as a result impacting the spatial relationships between individual landscape elements and the species living in the area. Yet, only recently has the influence of the surrounding landscape on invasive species spread started to be considered. The scientific community increasingly recognizes the need for broader modeling framework that focuses on cross-study comparisons at different spatiotemporal scales. Using two illustrative examples, we introduce a general modeling framework that allows for a systematic investigation of the effect of habitat change on invasive species establishment and spread. The essential parts of the framework are (i) a mechanistic spatially explicit model (a modular dispersal framework-MDIG) that allows population dynamics and dispersal to be modeled in a geographical information system (GIS), (ii) a landscape generator that allows replicated landscape patterns with partially controllable spatial properties to be generated, and (iii) landscape metrics that depict the essential aspects of landscape with which dispersal and demographic processes interact. The modeling framework provides functionality for a wide variety of applications ranging from predictions of the spatiotemporal spread of real species and comparison of potential management strategies, to theoretical investigation of the effect of habitat change on population dynamics. Such a framework allows to quantify how small-grain landscape characteristics, such as habitat size and habitat connectivity, interact with life-history traits to determine the dynamics of invasive species spread in fragmented landscape. As such, it will give deeper insights into species traits and landscape features that lead to establishment and spread success and may be key to preventing new incursions and the development of efficient monitoring, surveillance, control or eradication programs.

Modelization of highly nonlinear waves in coastal regions

NASA Astrophysics Data System (ADS)

Gouin, Maïté; Ducrozet, Guillaume; Ferrant, Pierre

2015-04-01

The proposed work deals with the development of a highly non-linear model for water wave propagation in coastal regions. The accurate modelization of surface gravity waves is of major interest in ocean engineering, especially in the field of marine renewable energy. These marine structures are intended to be settled in coastal regions where the effect of variable bathymetry may be significant on local wave conditions. This study presents a numerical model for the wave propagation with complex bathymetry. It is based on High-Order Spectral (HOS) method, initially limited to the propagation of non-linear wave fields over flat bottom. Such a model has been developed and validated at the LHEEA Lab. (Ecole Centrale Nantes) over the past few years and the current developments will enlarge its application range. This new numerical model will keep the interesting numerical properties of the original pseudo-spectral approach (convergence, efficiency with the use of FFTs, …) and enable the possibility to propagate highly non-linear wave fields over long time and large distance. Different validations will be provided in addition to the presentation of the method. At first, Bragg reflection will be studied with the proposed approach. If the Bragg condition is satisfied, the reflected wave generated by a sinusoidal bottom patch should be amplified as a result of resonant quadratic interactions between incident wave and bottom. Comparisons will be provided with experiments and reference solutions. Then, the method will be used to consider the transformation of a non-linear monochromatic wave as it propagates up and over a submerged bar. As the waves travel up the front slope of the bar, it steepens and high harmonics are generated due to non-linear interactions. Comparisons with experimental data will be provided. The different test cases will assess the accuracy and efficiency of the method proposed.

Modeling the Effects of Interfacial Characteristics on Gas Permeation Behavior of Nanotube-Mixed Matrix Membranes.

PubMed

Chehrazi, Ehsan; Sharif, Alireza; Omidkhah, Mohammadreza; Karimi, Mohammad

2017-10-25

Theoretical approaches that accurately predict the gas permeation behavior of nanotube-containing mixed matrix membranes (nanotube-MMMs) are scarce. This is mainly due to ignoring the effects of nanotube/matrix interfacial characteristics in the existing theories. In this paper, based on the analogy of thermal conduction in polymer composites containing nanotubes, we develop a model to describe gas permeation through nanotube-MMMs. Two new parameters, "interfacial thickness" (a int ) and "interfacial permeation resistance" (R int ), are introduced to account for the role of nanotube/matrix interfacial interactions in the proposed model. The obtained values of a int , independent of the nature of the permeate gas, increased by increasing both the nanotubes aspect ratio and polymer-nanotube interfacial strength. An excellent correlation between the values of a int and polymer-nanotube interaction parameters, χ, helped to accurately reproduce the existing experimental data from the literature without the need to resort to any adjustable parameter. The data includes 10 sets of CO 2 /CH 4 permeation, 12 sets of CO 2 /N 2 permeation, 3 sets of CO 2 /O 2 permeation, and 2 sets of CO 2 /H 2 permeation through different nanotube-MMMs. Moreover, the average absolute relative errors between the experimental data and the predicted values of the proposed model are very small (less than 5%) in comparison with those of the existing models in the literature. To the best of our knowledge, this is the first study where such a systematic comparison between model predictions and such extensive experimental data is presented. Finally, the new way of assessing gas permeation data presented in the current work would be a simple alternative to complex approaches that are usually utilized to estimate interfacial thickness in polymer composites.

Myxococcus xanthus Gliding Motors Are Elastically Coupled to the Substrate as Predicted by the Focal Adhesion Model of Gliding Motility

PubMed Central

Balagam, Rajesh; Litwin, Douglas B.; Czerwinski, Fabian; Sun, Mingzhai; Kaplan, Heidi B.; Shaevitz, Joshua W.; Igoshin, Oleg A.

2014-01-01

Myxococcus xanthus is a model organism for studying bacterial social behaviors due to its ability to form complex multi-cellular structures. Knowledge of M. xanthus surface gliding motility and the mechanisms that coordinated it are critically important to our understanding of collective cell behaviors. Although the mechanism of gliding motility is still under investigation, recent experiments suggest that there are two possible mechanisms underlying force production for cell motility: the focal adhesion mechanism and the helical rotor mechanism, which differ in the biophysics of the cell–substrate interactions. Whereas the focal adhesion model predicts an elastic coupling, the helical rotor model predicts a viscous coupling. Using a combination of computational modeling, imaging, and force microscopy, we find evidence for elastic coupling in support of the focal adhesion model. Using a biophysical model of the M. xanthus cell, we investigated how the mechanical interactions between cells are affected by interactions with the substrate. Comparison of modeling results with experimental data for cell-cell collision events pointed to a strong, elastic attachment between the cell and substrate. These results are robust to variations in the mechanical and geometrical parameters of the model. We then directly measured the motor-substrate coupling by monitoring the motion of optically trapped beads and find that motor velocity decreases exponentially with opposing load. At high loads, motor velocity approaches zero velocity asymptotically and motors remain bound to beads indicating a strong, elastic attachment. PMID:24810164

Cryo-EM Data Are Superior to Contact and Interface Information in Integrative Modeling.

PubMed

de Vries, Sjoerd J; Chauvot de Beauchêne, Isaure; Schindler, Christina E M; Zacharias, Martin

2016-02-23

Protein-protein interactions carry out a large variety of essential cellular processes. Cryo-electron microscopy (cryo-EM) is a powerful technique for the modeling of protein-protein interactions at a wide range of resolutions, and recent developments have caused a revolution in the field. At low resolution, cryo-EM maps can drive integrative modeling of the interaction, assembling existing structures into the map. Other experimental techniques can provide information on the interface or on the contacts between the monomers in the complex. This inevitably raises the question regarding which type of data is best suited to drive integrative modeling approaches. Systematic comparison of the prediction accuracy and specificity of the different integrative modeling paradigms is unavailable to date. Here, we compare EM-driven, interface-driven, and contact-driven integrative modeling paradigms. Models were generated for the protein docking benchmark using the ATTRACT docking engine and evaluated using the CAPRI two-star criterion. At 20 Å resolution, EM-driven modeling achieved a success rate of 100%, outperforming the other paradigms even with perfect interface and contact information. Therefore, even very low resolution cryo-EM data is superior in predicting heterodimeric and heterotrimeric protein assemblies. Our study demonstrates that a force field is not necessary, cryo-EM data alone is sufficient to accurately guide the monomers into place. The resulting rigid models successfully identify regions of conformational change, opening up perspectives for targeted flexible remodeling. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Cryo-EM Data Are Superior to Contact and Interface Information in Integrative Modeling

PubMed Central

de Vries, Sjoerd J.; Chauvot de Beauchêne, Isaure; Schindler, Christina E.M.; Zacharias, Martin

2016-01-01

Protein-protein interactions carry out a large variety of essential cellular processes. Cryo-electron microscopy (cryo-EM) is a powerful technique for the modeling of protein-protein interactions at a wide range of resolutions, and recent developments have caused a revolution in the field. At low resolution, cryo-EM maps can drive integrative modeling of the interaction, assembling existing structures into the map. Other experimental techniques can provide information on the interface or on the contacts between the monomers in the complex. This inevitably raises the question regarding which type of data is best suited to drive integrative modeling approaches. Systematic comparison of the prediction accuracy and specificity of the different integrative modeling paradigms is unavailable to date. Here, we compare EM-driven, interface-driven, and contact-driven integrative modeling paradigms. Models were generated for the protein docking benchmark using the ATTRACT docking engine and evaluated using the CAPRI two-star criterion. At 20 Å resolution, EM-driven modeling achieved a success rate of 100%, outperforming the other paradigms even with perfect interface and contact information. Therefore, even very low resolution cryo-EM data is superior in predicting heterodimeric and heterotrimeric protein assemblies. Our study demonstrates that a force field is not necessary, cryo-EM data alone is sufficient to accurately guide the monomers into place. The resulting rigid models successfully identify regions of conformational change, opening up perspectives for targeted flexible remodeling. PMID:26846888

Alignment-free protein interaction network comparison

PubMed Central

Ali, Waqar; Rito, Tiago; Reinert, Gesine; Sun, Fengzhu; Deane, Charlotte M.

2014-01-01

Motivation: Biological network comparison software largely relies on the concept of alignment where close matches between the nodes of two or more networks are sought. These node matches are based on sequence similarity and/or interaction patterns. However, because of the incomplete and error-prone datasets currently available, such methods have had limited success. Moreover, the results of network alignment are in general not amenable for distance-based evolutionary analysis of sets of networks. In this article, we describe Netdis, a topology-based distance measure between networks, which offers the possibility of network phylogeny reconstruction. Results: We first demonstrate that Netdis is able to correctly separate different random graph model types independent of network size and density. The biological applicability of the method is then shown by its ability to build the correct phylogenetic tree of species based solely on the topology of current protein interaction networks. Our results provide new evidence that the topology of protein interaction networks contains information about evolutionary processes, despite the lack of conservation of individual interactions. As Netdis is applicable to all networks because of its speed and simplicity, we apply it to a large collection of biological and non-biological networks where it clusters diverse networks by type. Availability and implementation: The source code of the program is freely available at http://www.stats.ox.ac.uk/research/proteins/resources. Contact: w.ali@stats.ox.ac.uk Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25161230

Diazo Esters as Dienophiles in Intramolecular (4 + 2) Cycloadditions: Computational Explorations of Mechanism.

PubMed

Duan, Abing; Yu, Peiyuan; Liu, Fang; Qiu, Huang; Gu, Feng Long; Doyle, Michael P; Houk, K N

2017-02-22

The first experimental examples of Diels-Alder (DA) reactions of diazo compounds as heterodienophiles with dienes have been studied with density functional theory (DFT) using the M06-2X functional. For comparison, the reactivities of diazo esters as dienophiles or 1,3-dipoles with 1,3-dienes in intermolecular model systems have been analyzed by the distortion/interaction model. The 1,3-dipolar cycloaddition is strongly favored for the intermolecular system. The intramolecular example is unique because the tether strongly favors the (4 + 2) cycloaddition.

Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

NASA Technical Reports Server (NTRS)

Khandelwal, Govind S.; Khan, Ferdous

1989-01-01

An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.

Acoustoelasticity

NASA Technical Reports Server (NTRS)

Dowell, E. H.

1976-01-01

Internal sound fields are considered. Specifically, the interaction between the (acoustic) sound pressure field and the (elastic) flexible wall of an enclosure is discussed. Such problems frequently arise when the vibrating walls of a transportation vehicle induce a significant internal sound field. Cabin noise in various flight vehicles and the internal sound field in an automobile are representative examples. A mathematical model, simplified solutions, and numerical results and comparisons with representative experimental data are briefly considered. An overall conclusion is that reasonable grounds for optimism exist with respect to available theoretical models and their predictive capability.

Consolidation of data base for Army generalized missile model

NASA Technical Reports Server (NTRS)

Klenke, D. J.; Hemsch, M. J.

1980-01-01

Data from plume interaction tests, nose mounted canard configuration tests, and high angle of attack tests on the Army Generalized Missile model are consolidated in a computer program which makes them readily accessible for plotting, listing, and evaluation. The program is written in FORTRAN and will run on an ordinary minicomputer. It has the capability of retrieving any coefficient from the existing DATAMAN tapes and displaying it in tabular or plotted form. Comparisons of data taken in several wind tunnels and of data with the predictions of Program MISSILE2 are also presented.

International Space Station Centrifuge Rotor Models A Comparison of the Euler-Lagrange and the Bond Graph Modeling Approach

NASA Technical Reports Server (NTRS)

Nguyen, Louis H.; Ramakrishnan, Jayant; Granda, Jose J.

2006-01-01

The assembly and operation of the International Space Station (ISS) require extensive testing and engineering analysis to verify that the Space Station system of systems would work together without any adverse interactions. Since the dynamic behavior of an entire Space Station cannot be tested on earth, math models of the Space Station structures and mechanical systems have to be built and integrated in computer simulations and analysis tools to analyze and predict what will happen in space. The ISS Centrifuge Rotor (CR) is one of many mechanical systems that need to be modeled and analyzed to verify the ISS integrated system performance on-orbit. This study investigates using Bond Graph modeling techniques as quick and simplified ways to generate models of the ISS Centrifuge Rotor. This paper outlines the steps used to generate simple and more complex models of the CR using Bond Graph Computer Aided Modeling Program with Graphical Input (CAMP-G). Comparisons of the Bond Graph CR models with those derived from Euler-Lagrange equations in MATLAB and those developed using multibody dynamic simulation at the National Aeronautics and Space Administration (NASA) Johnson Space Center (JSC) are presented to demonstrate the usefulness of the Bond Graph modeling approach for aeronautics and space applications.

Ares I-X Flight Evaluation Tasks in Support of Ares I Development

NASA Technical Reports Server (NTRS)

Huebner, Lawrence D.; Richards, James S.; Coates, Ralph H., III; Cruit, Wendy D.; Ramsey, Matthew N.

2010-01-01

NASA s Constellation Program successfully launched the Ares I-X Flight Test Vehicle on October 28, 2009. The Ares I-X flight was a development flight test that offered a unique opportunity for early engineering data to impact the design and development of the Ares I crew launch vehicle. As the primary customer for flight data from the Ares I-X mission, the Ares Projects Office established a set of 33 flight evaluation tasks to correlate fight results with prospective design assumptions and models. Included within these tasks were direct comparisons of flight data with pre-flight predictions and post-flight assessments utilizing models and modeling techniques being applied to design and develop Ares I. A discussion of the similarities and differences in those comparisons and the need for discipline-level model updates based upon those comparisons form the substance of this paper. The benefits of development flight testing were made evident by implementing these tasks that used Ares I-X data to partially validate tools and methodologies in technical disciplines that will ultimately influence the design and development of Ares I and future launch vehicles. The areas in which partial validation from the flight test was most significant included flight control system algorithms to predict liftoff clearance, ascent, and stage separation; structural models from rollout to separation; thermal models that have been updated based on these data; pyroshock attenuation; and the ability to predict complex flow fields during time-varying conditions including plume interactions.

Preclinical experimental stress studies: protocols, assessment and comparison.

PubMed

Bali, Anjana; Jaggi, Amteshwar Singh

2015-01-05

Stress is a state of threatened homeostasis during which a variety of adaptive processes are activated to produce physiological and behavioral changes. Preclinical models are pivotal for understanding these physiological or pathophysiological changes in the body in response to stress. Furthermore, these models are also important for the development of novel pharmacological agents for stress management. The well described preclinical stress models include immobilization, restraint, electric foot shock and social isolation stress. Stress assessment in animals is done at the behavioral level using open field, social interaction, hole board test; at the biochemical level by measuring plasma corticosterone and ACTH; at the physiological level by measuring food intake, body weight, adrenal gland weight and gastric ulceration. Furthermore the comparison between different stressors including electric foot shock, immobilization and cold stressor is described in terms of intensity, hormonal release, protein changes in brain, adaptation and sleep pattern. This present review describes these preclinical stress protocols, and stress assessment at different levels. Copyright © 2014 Elsevier B.V. All rights reserved.

Transport methods and interactions for space radiations

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Schimmerling, Walter S.; Khandelwal, Govind S.; Khan, Ferdous S.; Nealy, John E.; Cucinotta, Francis A.; Simonsen, Lisa C.; Shinn, Judy L.; Norbury, John W.

1991-01-01

A review of the program in space radiation protection at the Langley Research Center is given. The relevant Boltzmann equations are given with a discussion of approximation procedures for space applications. The interaction coefficients are related to solution of the many-body Schroedinger equation with nuclear and electromagnetic forces. Various solution techniques are discussed to obtain relevant interaction cross sections with extensive comparison with experiments. Solution techniques for the Boltzmann equations are discussed in detail. Transport computer code validation is discussed through analytical benchmarking, comparison with other codes, comparison with laboratory experiments and measurements in space. Applications to lunar and Mars missions are discussed.

Predictive Mechanisms Are Not Involved the Same Way during Human-Human vs. Human-Machine Interactions: A Review

PubMed Central

Sahaï, Aïsha; Pacherie, Elisabeth; Grynszpan, Ouriel; Berberian, Bruno

2017-01-01

Nowadays, interactions with others do not only involve human peers but also automated systems. Many studies suggest that the motor predictive systems that are engaged during action execution are also involved during joint actions with peers and during other human generated action observation. Indeed, the comparator model hypothesis suggests that the comparison between a predicted state and an estimated real state enables motor control, and by a similar functioning, understanding and anticipating observed actions. Such a mechanism allows making predictions about an ongoing action, and is essential to action regulation, especially during joint actions with peers. Interestingly, the same comparison process has been shown to be involved in the construction of an individual's sense of agency, both for self-generated and observed other human generated actions. However, the implication of such predictive mechanisms during interactions with machines is not consensual, probably due to the high heterogeneousness of the automata used in the experimentations, from very simplistic devices to full humanoid robots. The discrepancies that are observed during human/machine interactions could arise from the absence of action/observation matching abilities when interacting with traditional low-level automata. Consistently, the difficulties to build a joint agency with this kind of machines could stem from the same problem. In this context, we aim to review the studies investigating predictive mechanisms during social interactions with humans and with automated artificial systems. We will start by presenting human data that show the involvement of predictions in action control and in the sense of agency during social interactions. Thereafter, we will confront this literature with data from the robotic field. Finally, we will address the upcoming issues in the field of robotics related to automated systems aimed at acting as collaborative agents. PMID:29081744

Reinforcer control by comparison-stimulus color and location in a delayed matching-to-sample task.

PubMed

Alsop, Brent; Jones, B Max

2008-05-01

Six pigeons were trained in a delayed matching-to-sample task involving bright- and dim-yellow samples on a central key, a five-peck response requirement to either sample, a constant 1.5-s delay, and the presentation of comparison stimuli composed of red on the left key and green on the right key or vice versa. Green-key responses were occasionally reinforced following the dimmer-yellow sample, and red-key responses were occasionally reinforced following the brighter-yellow sample. Reinforcer delivery was controlled such that the distribution of reinforcers across both comparison-stimulus color and comparison-stimulus location could be varied systematically and independently across conditions. Matching accuracy was high throughout. The ratio of left to right side-key responses increased as the ratio of left to right reinforcers increased, the ratio of red to green responses increased as the ratio of red to green reinforcers increased, and there was no interaction between these variables. However, side-key biases were more sensitive to the distribution of reinforcers across key location than were comparison-color biases to the distribution of reinforcers across key color. An extension of Davison and Tustin's (1978) model of DMTS performance fit the data well, but the results were also consistent with an alternative theory of conditional discrimination performance (Jones, 2003) that calls for a conceptually distinct quantitative model.

The influence of lip form on incisal display with lips in repose on the esthetic preferences of dentists and lay people.

PubMed

Kim, Jee; Topolski, Richard; Dickinson, Douglas; Ramos, Van

2017-09-01

Information is lacking for viewer preferences for incisal display with lips in repose. The purpose of this online survey was to establish measurement parameters to classify and define a lip form and to evaluate the influence of lip form on dentists' and laypersons' preferences for the amount of incisal display with lips in repose. Computer-generated male and female models were created using 3 different lip forms each, straight, moderate, and high. Three images of these models (frontal full face, zoomed-in frontal around the mouth, and oblique zoomed-in image of the mouth) were arranged in an interactive survey that was disseminated on the Websites Facebook, Instagram, DentalTown and by word-of-mouth. Respondents manipulated the incisal display of all 3 images in unison, using a slide bar, and the resulting incisal display was measured in millimeters and served as the primary dependent measure. Survey demographic data were obtained from an online survey site. Data were assessed for skewness, kurtosis, and outliers and analyzed with 5-way ANOVA: 2 sex levels for model, 2 levels for sex of respondent, 3 levels for lip height, 3 levels for occupation, and 5 levels of ethnicity, with multiple comparisons corrected with Bonferroni adjustments and post hoc comparisons performed using the Scheffé test (α=.05 for all comparisons). A total of 1039 individuals consented to the study. A final sample size of 687 respondents was obtained after excluding 352 who failed to complete the survey. The results indicated that lip form affected the esthetic perception of incisal display significantly (P<.001), with a preference for a greater amount of incisal display corresponding with increasing lip forms. Sex of the model was also significant, with greater incisal display being preferred for female faces. A significant difference was found for respondents' ethnicity, with African Americans generally preferring smaller incisal displays than other ethnic groups. No other main effects were found to be statistically significant. Only 2 interactions were shown to be statistically significant. Post hoc tests examining the interaction between lip form and sex of model showed a preference for greater incisal displays for female faces with high lip forms. A 3-way interaction was observed between lip form, sex of respondent, and occupation. Significant differences were identified for the 3 different lip forms for both sexes of models. As the lip form changed from straight to moderate to high, there was a preference for increased incisal display. Incisal display preferences for male and female models were the same for all respondents, except for the high lip form, for which a greater amount of incisal display was preferred for the female model. Sex and occupation of respondent failed to produce main effects. Respondents' ethnicity was shown to be statistically significant, with African Americans generally preferring shorter incisal displays. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Monte Carlo calculations of positron emitter yields in proton radiotherapy.

PubMed

Seravalli, E; Robert, C; Bauer, J; Stichelbaut, F; Kurz, C; Smeets, J; Van Ngoc Ty, C; Schaart, D R; Buvat, I; Parodi, K; Verhaegen, F

2012-03-21

Positron emission tomography (PET) is a promising tool for monitoring the three-dimensional dose distribution in charged particle radiotherapy. PET imaging during or shortly after proton treatment is based on the detection of annihilation photons following the ß(+)-decay of radionuclides resulting from nuclear reactions in the irradiated tissue. Therapy monitoring is achieved by comparing the measured spatial distribution of irradiation-induced ß(+)-activity with the predicted distribution based on the treatment plan. The accuracy of the calculated distribution depends on the correctness of the computational models, implemented in the employed Monte Carlo (MC) codes that describe the interactions of the charged particle beam with matter and the production of radionuclides and secondary particles. However, no well-established theoretical models exist for predicting the nuclear interactions and so phenomenological models are typically used based on parameters derived from experimental data. Unfortunately, the experimental data presently available are insufficient to validate such phenomenological hadronic interaction models. Hence, a comparison among the models used by the different MC packages is desirable. In this work, starting from a common geometry, we compare the performances of MCNPX, GATE and PHITS MC codes in predicting the amount and spatial distribution of proton-induced activity, at therapeutic energies, to the already experimentally validated PET modelling based on the FLUKA MC code. In particular, we show how the amount of ß(+)-emitters produced in tissue-like media depends on the physics model and cross-sectional data used to describe the proton nuclear interactions, thus calling for future experimental campaigns aiming at supporting improvements of MC modelling for clinical application of PET monitoring. © 2012 Institute of Physics and Engineering in Medicine

Estimation of lake water - groundwater interactions in meromictic mining lakes by modelling isotope signatures of lake water.

PubMed

Seebach, Anne; Dietz, Severine; Lessmann, Dieter; Knoeller, Kay

2008-03-01

A method is presented to assess lake water-groundwater interactions by modelling isotope signatures of lake water using meteorological parameters and field data. The modelling of delta(18)O and deltaD variations offers information about the groundwater influx into a meromictic Lusatian mining lake. Therefore, a water balance model is combined with an isotope water balance model to estimate analogies between simulated and measured isotope signatures within the lake water body. The model is operated with different evaporation rates to predict delta(18)O and deltaD values in a lake that is only controlled by weather conditions with neither groundwater inflow nor outflow. Comparisons between modelled and measured isotope values show whether the lake is fed by the groundwater or not. Furthermore, our investigations show that an adaptation of the Craig and Gordon model [H. Craig, L.I. Gordon. Deuterium and oxygen-18 variations in the ocean and the marine atmosphere. In Stable Isotopes in Oceanographic Studies and Paleotemperature, Spoleto, E. Tongiorgi (Ed.), pp. 9-130, Consiglio Nazionale delle Ricerche, Laboratorio di Geologia Nucleare, Pisa (1965).] to specific conditions in temperate regions seems necessary.

Defect modelling in an interactive 3-D CAD environment

NASA Astrophysics Data System (ADS)

Reilly, D.; Potts, A.; McNab, A.; Toft, M.; Chapman, R. K.

2000-05-01

This paper describes enhancement of the NDT Workbench, as presented at QNDE '98, to include theoretical models for the ultrasonic inspection of smooth planar defects, developed by British Energy and BNFL-Magnox Generation. The Workbench is a PC-based software package for the reconstruction, visualization and analysis of 3-D ultrasonic NDT data in an interactive CAD environment. This extension of the Workbeach now provides the user with a well established modelling approach, coupled with a graphical user interface for: a) configuring the model for flaw size, shape, orientation and location; b) flexible specification of probe parameters; c) selection of scanning surface and scan pattern on the CAD component model; d) presentation of the output as a simulated ultrasound image within the component, or as graphical or tabular displays. The defect modelling facilities of the Workbench can be used for inspection procedure assessment and confirmation of data interpretation, by comparison of overlay images generated from real and simulated data. The modelling technique currently implemented is based on the Geometrical Theory of Diffraction, for simulation of strip-like, circular or elliptical crack responses in the time harmonic or time dependent cases. Eventually, the Workbench will also allow modelling using elastodynamic Kirchhoff theory.

Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis.

PubMed

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

2017-05-09

The importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized with respect to both the QM electronic density and the MM induced dipoles. This QM/AMOEBA model is implemented through the Q-Chem/LibEFP code interface and then applied to the evaluation of solute-solvent interaction energies for various systems ranging from the water dimer to neutral and ionic solutes (NH 3 , NH 4 + , CN - ) surrounded by increasing numbers of water molecules (up to 100). In order to analyze the resulting interaction energies, we also utilize an energy decomposition analysis (EDA) scheme which identifies contributions from permanent electrostatics, polarization, and van der Waals (vdW) interaction for the interaction between the QM solute and the solvent molecules described by AMOEBA. This facilitates a component-wise comparison against full QM calculations where the corresponding energy components are obtained via a modified version of the absolutely localized molecular orbitals (ALMO)-EDA. The results show that the present QM/AMOEBA model can yield reasonable solute-solvent interaction energies for neutral and cationic species, while further scrutiny reveals that this accuracy highly relies on the delicate balance between insufficiently favorable permanent electrostatics and softened vdW interaction. For anionic solutes where the charge penetration effect becomes more pronounced, the QM/MM interface turns out to be unbalanced. These results are consistent with and further elucidate our findings in a previous study using a slightly different QM/AMOEBA model ( Dziedzic et al. J. Chem. Phys. 2016 , 145 , 124106 ). The implications of these results for further refinement of this model are also discussed.

The UK Earth System Models Marine Biogeochemical Evaluation Toolkit, BGC-val

NASA Astrophysics Data System (ADS)

de Mora, Lee

2017-04-01

The Biogeochemical Validation toolkit, BGC-val, is a model and grid independent python-based marine model evaluation framework that automates much of the validation of the marine component of an Earth System Model. BGC-val was initially developed to be a flexible and extensible system to evaluate the spin up of the marine UK Earth System Model (UKESM). However, the grid-independence and flexibility means that it is straightforward to adapt the BGC-val framework to evaluate other marine models. In addition to the marine component of the UKESM, this toolkit has been adapted to compare multiple models, including models from the CMIP5 and iMarNet inter-comparison projects. The BGC-val toolkit produces multiple levels of analysis which are presented in a simple to use interactive html5 document. Level 1 contains time series analyses, showing the development over time of many important biogeochemical and physical ocean metrics, such as the Global primary production or the Drake passage current. The second level of BGC-val is an in-depth spatial analyses of a single point in time. This is a series of point to point comparison of model and data in various regions, such as a comparison of Surface Nitrate in the model vs data from the world ocean atlas. The third level analyses are specialised ad-hoc packages to go in-depth on a specific question, such as the development of Oxygen minimum zones in the Equatorial Pacific. In additional to the three levels, the html5 document opens with a Level 0 table showing a summary of the status of the model run. The beta version of this toolkit is available via the Plymouth Marine Laboratory Gitlab server and uses the BSD 3 clause license.

Atomistic modelling of magnetic nano-granular thin films

NASA Astrophysics Data System (ADS)

Agudelo-Giraldo, J. D.; Arbeláez-Echeverry, O. D.; Restrepo-Parra, E.

2018-03-01

In this work, a complete model for studying the magnetic behaviour of polycrystalline thin films at nanoscale was processed. This model includes terms as exchange interaction, dipolar interaction and various types of anisotropies. For the first term, exchange interaction dependence of the distance n was used with purpose of quantify the interaction, mainly in grain boundaries. The third term includes crystalline, surface and boundary anisotropies. Special attention was paid to the disorder vector that determines the loss of cubic symmetry in the crystalline structure. For the case of the dipolar interaction, a similar implementation of the fast multiple method (FMM) was performed. Using these tools, modelling and simulations were developed varying the number of grains, and the results obtained presented a great dependence of the magnetic properties on this parameter. Comparisons between critical temperature and magnetization of saturation depending on the number of grains were performed for samples with and without factors as the surface and boundary anisotropies, and the dipolar interaction. It was observed that the inclusion of these parameters produced a decrease in the critical temperature and the magnetization of saturation; furthermore, in both cases, including and not including the disorder parameters, not only the critical temperature, but also the magnetization of saturation exhibited a range of values that also depend on the number of grains. This presence of a critical interval is due to each grain can transit toward the ferromagnetic state at different values of critical temperature. The processes of Zero field cooling (ZFC), Field cooling (FCC) and field cooling in warming mode (FCW) were necessary for understanding the mono-domain regime around of transition temperature, due to the high probabilities of a Super-paramagnetic (SPM) state.

How does Interactive Chemistry Influence the Representation of Stratosphere-Troposphere Coupling in a Climate Model?

NASA Astrophysics Data System (ADS)

Haase, S.; Matthes, K. B.

2017-12-01

Changes in stratospheric ozone can trigger tropospheric circulation changes. In the Southern hemisphere (SH), the observed shift of the Southern Annular Mode was attributed to the observed trend in lower stratospheric ozone. In the Northern Hemisphere (NH), a recent study showed that extremely low stratospheric ozone conditions during spring produce robust anomalies in the troposphere (zonal wind, temperature and precipitation). This could only be reproduced in a coupled chemistry climate model indicating that chemical-dynamical feedbacks are also important on the NH. To further investigate the importance of interactive chemistry for surface climate, we conducted a set of experiments using NCAR's Community Earth System Model (CESM1) with the Whole Atmosphere Community Climate Model (WACCM) as the atmosphere component. WACCM contains a fully interactive stratospheric chemistry module in its standard configuration. It also allows for an alternative configuration, referred to as SC-WACCM, in which the chemistry (O3, NO, O, O2, CO2 and chemical and shortwave heating rates) is specified as a 2D field in the radiation code. A comparison of the interactive vs. the specified chemistry version enables us to evaluate the relative importance of interactive chemistry by systematically inhibiting the feedbacks between chemistry and dynamics. To diminish the effect of temporal interpolation when prescribing ozone, we use daily resolved zonal mean ozone fields for the specified chemistry run. Here, we investigate the differences in stratosphere-troposphere coupling between the interactive and specified chemistry simulations for the mainly chemically driven SH as well as for the mainly dynamically driven NH. We will especially consider years that are characterized by extremely low stratospheric ozone on the one hand and by large dynamical disturbances, i.e. Sudden Stratospheric Warmings, on the other hand.

Avalanches and generalized memory associativity in a network model for conscious and unconscious mental functioning

NASA Astrophysics Data System (ADS)

Siddiqui, Maheen; Wedemann, Roseli S.; Jensen, Henrik Jeldtoft

2018-01-01

We explore statistical characteristics of avalanches associated with the dynamics of a complex-network model, where two modules corresponding to sensorial and symbolic memories interact, representing unconscious and conscious mental processes. The model illustrates Freud's ideas regarding the neuroses and that consciousness is related with symbolic and linguistic memory activity in the brain. It incorporates the Stariolo-Tsallis generalization of the Boltzmann Machine in order to model memory retrieval and associativity. In the present work, we define and measure avalanche size distributions during memory retrieval, in order to gain insight regarding basic aspects of the functioning of these complex networks. The avalanche sizes defined for our model should be related to the time consumed and also to the size of the neuronal region which is activated, during memory retrieval. This allows the qualitative comparison of the behaviour of the distribution of cluster sizes, obtained during fMRI measurements of the propagation of signals in the brain, with the distribution of avalanche sizes obtained in our simulation experiments. This comparison corroborates the indication that the Nonextensive Statistical Mechanics formalism may indeed be more well suited to model the complex networks which constitute brain and mental structure.

Relative Displacement Method for Track-Structure Interaction

PubMed Central

Ramos, Óscar Ramón; Pantaleón, Marcos J.

2014-01-01

The track-structure interaction effects are usually analysed with conventional FEM programs, where it is difficult to implement the complex track-structure connection behaviour, which is nonlinear, elastic-plastic and depends on the vertical load. The authors developed an alternative analysis method, which they call the relative displacement method. It is based on the calculation of deformation states in single DOF element models that satisfy the boundary conditions. For its solution, an iterative optimisation algorithm is used. This method can be implemented in any programming language or analysis software. A comparison with ABAQUS calculations shows a very good result correlation and compliance with the standard's specifications. PMID:24634610

Rocket Plume Scaling for Orion Wind Tunnel Testing

NASA Technical Reports Server (NTRS)

Brauckmann, Gregory J.; Greathouse, James S.; White, Molly E.

2011-01-01

A wind tunnel test program was undertaken to assess the jet interaction effects caused by the various solid rocket motors used on the Orion Launch Abort Vehicle (LAV). These interactions of the external flowfield and the various rocket plumes can cause localized aerodynamic disturbances yielding significant and highly non-linear control amplifications and attenuations. This paper discusses the scaling methodologies used to model the flight plumes in the wind tunnel using cold air as the simulant gas. Comparisons of predicted flight, predicted wind tunnel, and measured wind tunnel forces-and-moments and plume flowfields are made to assess the effectiveness of the selected scaling methodologies.

REVIEWS OF TOPICAL PROBLEMS: Contemporary status and prospects of high-energy physics

NASA Astrophysics Data System (ADS)

Okun', Lev B.

1981-05-01

A concise review of the most recent major achievements of elementary-particle physics is given. The successes and problems of gauge theories of the strong and electroweak interactions are discussed. A comparison is made of the possible alternatives in the development of physics in the transition to laboratory energies of the order of a tera-electron-volt. Models of grand unification and superunification of the various types of fundamental interactions are considered. A number of examples are used to demonstrate the connection between the properties of elementary particles and the properties of astronomical objects and of the Universe as a whole.

Electron trajectory evaluation in laser-plasma interaction for effective output beam

NASA Astrophysics Data System (ADS)

Zobdeh, P.; Sadighi-Bonabi, R.; Afarideh, H.

2010-06-01

Using the ellipsoidal cavity model, the quasi-monoenergetic electron output beam in laser-plasma interaction is described. By the cavity regime the quality of electron beam is improved in comparison with those generated from other methods such as periodic plasma wave field, spheroidal cavity regime and plasma channel guided acceleration. Trajectory of electron motion is described as hyperbolic, parabolic or elliptic paths. We find that the self-generated electron bunch has a smaller energy width and more effective gain in energy spectrum. Initial condition for the ellipsoidal cavity is determined by laser-plasma parameters. The electron trajectory is influenced by its position, energy and cavity electrostatic potential.

Effects of hydrodynamic interactions in bacterial swimming.

NASA Astrophysics Data System (ADS)

Chattopadhyay, Suddhashil; Lun Wu, Xiao

2008-03-01

The lack of precise experimental data has prevented the investigation of the effects of long range hydrodynamic interactions in bacterial swimming. We perform measurements on various strains of bacteria with the aid of optical tweezers to shed light on this aspect of bacterial motility. Geometrical parameters recorded by fluorescence microscopy are used with theories which model flagella propulsion (Resistive force theory & Lighthill's formulation which includes long range interactions). Comparison of the predictions of these theories with experimental data, observed directly from swimming bacterium, led to the conclusion that while long range inetractions were important for single polar flagellated strains (Vibrio Alginolyticus & Caulobacter Crescentus), local force theory was adequate to describe the swimming of multi-flagellated Esherichia Coli. We performed additional measurements on E. Coli minicells (miniature cells with single polar flagellum) to try and determine the cause of this apparent effect of shielding of long range interactions in multiple flagellated bacteria.

Influence of homology and node age on the growth of protein-protein interaction networks

NASA Astrophysics Data System (ADS)

Bottinelli, Arianna; Bassetti, Bruno; Lagomarsino, Marco Cosentino; Gherardi, Marco

2012-10-01

Proteins participating in a protein-protein interaction network can be grouped into homology classes following their common ancestry. Proteins added to the network correspond to genes added to the classes, so the dynamics of the two objects are intrinsically linked. Here we first introduce a statistical model describing the joint growth of the network and the partitioning of nodes into classes, which is studied through a combined mean-field and simulation approach. We then employ this unified framework to address the specific issue of the age dependence of protein interactions through the definition of three different node wiring or divergence schemes. A comparison with empirical data indicates that an age-dependent divergence move is necessary in order to reproduce the basic topological observables together with the age correlation between interacting nodes visible in empirical data. We also discuss the possibility of nontrivial joint partition and topology observables.

Memory systems interaction in the pigeon: working and reference memory.

PubMed

Roberts, William A; Strang, Caroline; Macpherson, Krista

2015-04-01

Pigeons' performance on a working memory task, symbolic delayed matching-to-sample, was used to examine the interaction between working memory and reference memory. Reference memory was established by training pigeons to discriminate between the comparison cues used in delayed matching as S+ and S- stimuli. Delayed matching retention tests then measured accuracy when working and reference memory were congruent and incongruent. In 4 experiments, it was shown that the interaction between working and reference memory is reciprocal: Strengthening either type of memory leads to a decrease in the influence of the other type of memory. A process dissociation procedure analysis of the data from Experiment 4 showed independence of working and reference memory, and a model of working memory and reference memory interaction was shown to predict the findings reported in the 4 experiments. (PsycINFO Database Record (c) 2015 APA, all rights reserved).

Probabilities of radiation-induced inter- and intrachromosomal exchanges and their dependence on the DNA content of the chromosome

NASA Technical Reports Server (NTRS)

Wu, H.; Yang, T. C. (Principal Investigator)

2001-01-01

A biophysical model has been developed that is based on the assumptions that an interphase chromosome occupies a spherical territory and that chromosome exchanges are formed by the misrejoining of two DNA double-strand breaks induced within a defined interaction distance. The model is used to explain the relative frequencies of inter- and intrachromosomal exchanges and the relationship between radiation-induced aberrations in individual chromosomes and the DNA content of the chromosome. Although this simple model predicts a higher ratio of inter- to intrachromosomal exchanges for low-LET radiation than for high-LET radiation, as has been suggested by others, we argue that the comparison of the prediction of the model with experimental results is not straightforward. With the model, we also show that the probability of the formation of interchromosomal exchanges is proportional to the "surface area" of the chromosome domain plus a correction term. The correction term is small if the interaction distance is less than 1 microm for both low- and high-LET radiations.

Man vs. Machine: An interactive poll to evaluate hydrological model performance of a manual and an automatic calibration

NASA Astrophysics Data System (ADS)

Wesemann, Johannes; Burgholzer, Reinhard; Herrnegger, Mathew; Schulz, Karsten

2017-04-01

In recent years, a lot of research in hydrological modelling has been invested to improve the automatic calibration of rainfall-runoff models. This includes for example (1) the implementation of new optimisation methods, (2) the incorporation of new and different objective criteria and signatures in the optimisation and (3) the usage of auxiliary data sets apart from runoff. Nevertheless, in many applications manual calibration is still justifiable and frequently applied. The hydrologist performing the manual calibration, with his expert knowledge, is able to judge the hydrographs simultaneously concerning details but also in a holistic view. This integrated eye-ball verification procedure available to man can be difficult to formulate in objective criteria, even when using a multi-criteria approach. Comparing the results of automatic and manual calibration is not straightforward. Automatic calibration often solely involves objective criteria such as Nash-Sutcliffe Efficiency Coefficient or the Kling-Gupta-Efficiency as a benchmark during the calibration. Consequently, a comparison based on such measures is intrinsically biased towards automatic calibration. Additionally, objective criteria do not cover all aspects of a hydrograph leaving questions concerning the quality of a simulation open. This contribution therefore seeks to examine the quality of manually and automatically calibrated hydrographs by interactively involving expert knowledge in the evaluation. Simulations have been performed for the Mur catchment in Austria with the rainfall-runoff model COSERO using two parameter sets evolved from a manual and an automatic calibration. A subset of resulting hydrographs for observation and simulation, representing the typical flow conditions and events, will be evaluated in this study. In an interactive crowdsourcing approach experts attending the session can vote for their preferred simulated hydrograph without having information on the calibration method that produced the respective hydrograph. Therefore, the result of the poll can be seen as an additional quality criterion for the comparison of the two different approaches and help in the evaluation of the automatic calibration method.

Fluctuation instability of the Dirac Sea in quark models of strong interactions

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

Zinovjev, G. M., E-mail: Gennady.Zinovjev@cern.ch; Molodtsov, S. V.

A number of exactly integrable (quark) models of quantum field theory that feature an infinite correlation length are considered. An instability of the standard vacuum quark ensemble, a Dirac sea (in spacetimes of dimension higher than three), is highlighted. It is due to a strong ground-state degeneracy, which, in turn, stems from a special character of the energy distribution. In the case where the momentumcutoff parameter tends to infinity, this distribution becomes infinitely narrow and leads to large (unlimited) fluctuations. A comparison of the results for various vacuum ensembles, including a Dirac sea, a neutral ensemble, a color superconductor, andmore » a Bardeen–Cooper–Schrieffer (BCS) state, was performed. In the presence of color quark interaction, a BCS state is unambiguously chosen as the ground state of the quark ensemble.« less