Light & Skin Interactions Simulations for Computer Graphics Applications

CERN Document Server

Baranoski, Gladimir V G

2010-01-01

Light and Skin Interactions immerses you in one of the most fascinating application areas of computer graphics: appearance simulation. The book first illuminates the fundamental biophysical processes that affect skin appearance, and reviews seminal related works aimed at applications in life and health sciences. It then examines four exemplary modeling approaches as well as definitive algorithms that can be used to generate realistic images depicting skin appearance. An accompanying companion site also includes complete code and data sources for the BioSpec model, which is considered to be the

THIEF: An interactive simulation of nuclear materials safeguards

Energy Technology Data Exchange (ETDEWEB)

Stanbro, W. D.

1990-01-01

The safeguards community is facing an era in which it will be called upon to tighten protection of nuclear material. At the same time, it is probable that safeguards will face more competition for available resources from other activities such as environmental cleanup. To exist in this era, it will be necessary to understand and coordinate all aspects of the safeguards system. Because of the complexity of the interactions involved, this process puts a severe burden on designers and operators of safeguards systems. This paper presents a simulation tool developed at the Los Alamos National Laboratory to allow users to examine the interactions among safeguards elements as they apply to combating the insider threat. The tool consists of a microcomputer-based simulation in which the user takes the role of the insider trying to remove nuclear material from a facility. The safeguards system is run by the computer and consists of both physical protection and MC A computer elements. All data elements describing a scenario can be altered by the user. The program can aid in training, as well as in developing threat scenarios. 4 refs.

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

Science.gov (United States)

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.

Organisational learning via Interactive Process Simulation in AGE

NARCIS (Netherlands)

Szirbik, N. B.; Roest, G. B.; Sklenar, J; Tanguy, A; Bertelle, C; Fortino, G

2007-01-01

In this paper, the concept of Interactive Process Simulation is introduced as a specialisation of Business Gaming. A specific gaming and agent development framework, based oil interactive simulation and a specific modelling langauge, is shortly presented. The concepts of the language are explained

Simulated galaxy interactions as probes of merger spectral energy distributions

Energy Technology Data Exchange (ETDEWEB)

Lanz, Lauranne; Zezas, Andreas; Smith, Howard A.; Ashby, Matthew L. N.; Fazio, Giovanni G.; Hernquist, Lars [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Hayward, Christopher C. [Heidelberger Institut für Theoretische Studien, Schloss-Wolfsbrunnenweg 35, D-69118 Heidelberg (Germany); Brassington, Nicola, E-mail: llanz@ipac.caltech.edu [School of Physics, Astronomy and Mathematics, University of Hertfordshire, College Lane, Hatfield, AL10 9AB (United Kingdom)

2014-04-10

We present the first systematic comparison of ultraviolet-millimeter spectral energy distributions (SEDs) of observed and simulated interacting galaxies. Our sample is drawn from the Spitzer Interacting Galaxy Survey and probes a range of galaxy interaction parameters. We use 31 galaxies in 14 systems which have been observed with Herschel, Spitzer, GALEX, and 2MASS. We create a suite of GADGET-3 hydrodynamic simulations of isolated and interacting galaxies with stellar masses comparable to those in our sample of interacting galaxies. Photometry for the simulated systems is then calculated with the SUNRISE radiative transfer code for comparison with the observed systems. For most of the observed systems, one or more of the simulated SEDs match reasonably well. The best matches recover the infrared luminosity and the star formation rate of the observed systems, and the more massive systems preferentially match SEDs from simulations of more massive galaxies. The most morphologically distorted systems in our sample are best matched to the simulated SEDs that are close to coalescence, while less evolved systems match well with the SEDs over a wide range of interaction stages, suggesting that an SED alone is insufficient for identifying the interaction stage except during the most active phases in strongly interacting systems. This result is supported by our finding that the SEDs calculated for simulated systems vary little over the interaction sequence.

New logistics protocols for distributed interactive simulation

Science.gov (United States)

Taylor, Darrin; Morrison, John; Katz, Warren; Felton, Erik; Herman, Deborah A.

1995-06-01

In today's environment, the transportation and maintenance of military forces is nearly as important as combat operations. Rapid deployment to regions of low-intensity conflict will become a very common training scenario for the U.S. military. Thus it is desirable to apply distributed simulation technology to train logistics personnel in their combat support roles. Currently, distributed interactive simulation (DIS) only contains rudimentary logistics protocols. This paper introduces new protocols designed to handle the logistics problem. The Newtonian protocol takes a physics-based approach to modeling interactions on the simulation network. This protocol consists of a family of protocol data units (PDUs) which are used to communicate forces in different circumstances. The protocol implements a small set of physical relations. This represents a flexible and general mechanism to describe battlefield interactions between network entities. The migratory object protocol (MOP) family addresses the transfer of control. General mechanisms provide the means to simulate resupply, repair, and maintenance of entities at any level of abstraction (individual soldier to division). It can also increase the fidelity of mine laying, enable handover of weapons for terminal guidance, allow for the distribution of aggregate-level simulation entities, provide capabilities for the simulation of personnel, etc.

Interactive physically-based sound simulation

Science.gov (United States)

Raghuvanshi, Nikunj

The realization of interactive, immersive virtual worlds requires the ability to present a realistic audio experience that convincingly compliments their visual rendering. Physical simulation is a natural way to achieve such realism, enabling deeply immersive virtual worlds. However, physically-based sound simulation is very computationally expensive owing to the high-frequency, transient oscillations underlying audible sounds. The increasing computational power of desktop computers has served to reduce the gap between required and available computation, and it has become possible to bridge this gap further by using a combination of algorithmic improvements that exploit the physical, as well as perceptual properties of audible sounds. My thesis is a step in this direction. My dissertation concentrates on developing real-time techniques for both sub-problems of sound simulation: synthesis and propagation. Sound synthesis is concerned with generating the sounds produced by objects due to elastic surface vibrations upon interaction with the environment, such as collisions. I present novel techniques that exploit human auditory perception to simulate scenes with hundreds of sounding objects undergoing impact and rolling in real time. Sound propagation is the complementary problem of modeling the high-order scattering and diffraction of sound in an environment as it travels from source to listener. I discuss my work on a novel numerical acoustic simulator (ARD) that is hundred times faster and consumes ten times less memory than a high-accuracy finite-difference technique, allowing acoustic simulations on previously-intractable spaces, such as a cathedral, on a desktop computer. Lastly, I present my work on interactive sound propagation that leverages my ARD simulator to render the acoustics of arbitrary static scenes for multiple moving sources and listener in real time, while accounting for scene-dependent effects such as low-pass filtering and smooth attenuation

Teachers' Beliefs and Their Intention to Use Interactive Simulations in Their Classrooms

Science.gov (United States)

Kriek, Jeanne; Stols, Gerrit

2010-01-01

In this pilot study, we sought to examine the influence of the beliefs of Grade 10 to 12 physical science teachers on their intended and actual usage of interactive simulations (Physics Education Technology, or PhET) in their classrooms. A combination of the Theory of Planned Behaviour, the Technology Acceptance Model and the Innovation Diffusion…

Salesperson Ethics: An Interactive Computer Simulation

Science.gov (United States)

Castleberry, Stephen

2014-01-01

A new interactive computer simulation designed to teach sales ethics is described. Simulation learner objectives include gaining a better understanding of legal issues in selling; realizing that ethical dilemmas do arise in selling; realizing the need to be honest when selling; seeing that there are conflicting demands from a salesperson's…

The simulation approach to lipid-protein interactions.

Science.gov (United States)

Paramo, Teresa; Garzón, Diana; Holdbrook, Daniel A; Khalid, Syma; Bond, Peter J

2013-01-01

The interactions between lipids and proteins are crucial for a range of biological processes, from the folding and stability of membrane proteins to signaling and metabolism facilitated by lipid-binding proteins. However, high-resolution structural details concerning functional lipid/protein interactions are scarce due to barriers in both experimental isolation of native lipid-bound complexes and subsequent biophysical characterization. The molecular dynamics (MD) simulation approach provides a means to complement available structural data, yielding dynamic, structural, and thermodynamic data for a protein embedded within a physiologically realistic, modelled lipid environment. In this chapter, we provide a guide to current methods for setting up and running simulations of membrane proteins and soluble, lipid-binding proteins, using standard atomistically detailed representations, as well as simplified, coarse-grained models. In addition, we outline recent studies that illustrate the power of the simulation approach in the context of biologically relevant lipid/protein interactions.

Simulations of ultrasonic examination using focused beams properties

International Nuclear Information System (INIS)

Calmon, P.; Gondard, C.; Lobjois, D.

1992-01-01

A simulation software based on a simplified model has been developed by the C.E.A. in order to predict the results of ultrasonic examinations. The algorithm account for the response of a crack close to the outer surface of a block examined with a focusing probe. It is based on a model described in this paper. This model allows to explain the main features observed on the echodynamic curves. Comparisons between experimental and simulated results show a quite good agreement

INTERACTIVE MOTION PLATFORMS AND VIRTUAL REALITY FOR VEHICLE SIMULATORS

Directory of Open Access Journals (Sweden)

Evžen Thöndel

2017-12-01

Full Text Available Interactive motion platforms are intended for vehicle simulators, where the direct interaction of the human body is used for controlling the simulated vehicle (e.g. bicycle, motorbike or other sports vehicles. The second use of interactive motion platforms is for entertainment purposes or fitness. The development of interactive motion platforms reacts to recent calls in the simulation industry to provide a device, which further enhances the virtual reality experience, especially with connection to the new and very fast growing business in virtual reality glasses. The paper looks at the design and control of an interactive motion platform with two degrees of freedom to be used in virtual reality applications. The paper provides the description of the control methods and new problems related to the virtual reality sickness are discussed here.

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.

Science.gov (United States)

Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till

2018-02-06

Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing along with increasing computing power and improved algorithms. This growth has led to the production of a large amount of simulation data that need to be filtered for relevant information to address specific biomedical and biochemical questions. One of the most relevant molecular properties that can be investigated by all-atom MD simulations is the time-dependent evolution of the complex noncovalent interaction networks governing such fundamental aspects as molecular recognition, binding strength, and mechanical and structural stability. Extracting, evaluating, and visualizing noncovalent interactions is a key task in the daily work of structural biologists. We have developed PyContact, an easy-to-use, highly flexible, and intuitive graphical user interface-based application, designed to provide a toolkit to investigate biomolecular interactions in MD trajectories. PyContact is designed to facilitate this task by enabling identification of relevant noncovalent interactions in a comprehensible manner. The implementation of PyContact as a standalone application enables rapid analysis and data visualization without any additional programming requirements, and also preserves full in-program customization and extension capabilities for advanced users. The statistical analysis representation is interactively combined with full mapping of the results on the molecular system through the synergistic connection between PyContact and VMD. We showcase the capabilities and scientific significance of PyContact by analyzing and visualizing in great detail the noncovalent interactions underlying the ion permeation pathway of the human P2X 3 receptor. As a second application, we examine the protein-protein interaction network of the mechanically ultrastable cohesin-dockering complex. Copyright © 2017 Biophysical Society

Building Interactive Simulations in Web Pages without Programming.

Science.gov (United States)

Mailen Kootsey, J; McAuley, Grant; Bernal, Julie

2005-01-01

A software system is described for building interactive simulations and other numerical calculations in Web pages. The system is based on a new Java-based software architecture named NumberLinX (NLX) that isolates each function required to build the simulation so that a library of reusable objects could be assembled. The NLX objects are integrated into a commercial Web design program for coding-free page construction. The model description is entered through a wizard-like utility program that also functions as a model editor. The complete system permits very rapid construction of interactive simulations without coding. A wide range of applications are possible with the system beyond interactive calculations, including remote data collection and processing and collaboration over a network.

Interactive methods for exploring particle simulation data

Energy Technology Data Exchange (ETDEWEB)

Co, Christopher S.; Friedman, Alex; Grote, David P.; Vay, Jean-Luc; Bethel, E. Wes; Joy, Kenneth I.

2004-05-01

In this work, we visualize high-dimensional particle simulation data using a suite of scatter plot-based visualizations coupled with interactive selection tools. We use traditional 2D and 3D projection scatter plots as well as a novel oriented disk rendering style to convey various information about the data. Interactive selection tools allow physicists to manually classify ''interesting'' sets of particles that are highlighted across multiple, linked views of the data. The power of our application is the ability to correspond new visual representations of the simulation data with traditional, well understood visualizations. This approach supports the interactive exploration of the high-dimensional space while promoting discovery of new particle behavior.

Interactive Media and Simulation Tools for Technical Training

Science.gov (United States)

Gramoll, Kurt

1997-01-01

Over the last several years, integration of multiple media sources into a single information system has been rapidly developing. It has been found that when sound, graphics, text, animations, and simulations are skillfully integrated, the sum of the parts exceeds the individual parts for effective learning. In addition, simulations can be used to design and understand complex engineering processes. With the recent introduction of many high-level authoring, animation, modeling, and rendering programs for personal computers, significant multimedia programs can be developed by practicing engineers, scientists and even managers for both training and education. However, even with these new tools, a considerable amount of time is required to produce an interactive multimedia program. The development of both CD-ROM and Web-based programs are discussed in addition to the use of technically oriented animations. Also examined are various multimedia development tools and how they are used to develop effective engineering education courseware. Demonstrations of actual programs in engineering mechanics are shown.

Combining Interactive Thermodynamics Simulations with Screencasts and Conceptests

Science.gov (United States)

Falconer, John L.

2016-01-01

More than 40 interactive "Mathematica" simulations were prepared for chemical engineering thermodynamics, screencasts were prepared that explain how to use each simulation, and more than 100 ConcepTests were prepared that utilize the simulations. They are located on www.LearnChemE.com. The purposes of these simulations are to clarify…

Capstone Renaissance = Simulation + Interaction + DSS.

Science.gov (United States)

Jauch, Lawrence R.; And Others

1989-01-01

Reviews the development of integrated business policy and strategic management courses, or capstone courses, in business school curricula. A simulation game is described that incorporates the need for computer literacy, decision support systems (DSS), and interaction to effectively meet the needs for a capstone course. (14 references) (LRW)

Interactive simulations for promoting transdisciplinary understanding: a case study of the Western Cape fisheries, South Africa

Directory of Open Access Journals (Sweden)

Cecile Proches

2012-07-01

Full Text Available Simulations have proven beneficial in enabling participants from various backgrounds to meaningfully engage in learning from experience. The aim of this paper is to investigate how interactive simulations can play a role in navigating the changes faced in a multi- stakeholder setting, characterised by users dependent on marine resources and an authorising institution. Relevant literature in the areas of simulation and gaming, change management, systems thinking, and complexity theory was examined. A qualitative research approach and purposive sampling were employed. Interviews were first conducted with diverse stakeholders in the Western Cape fisheries of South Africa to determine the issues. A simulation was thereafter designed. The main findings from this study indicate that simulation use illustrates how the various stakeholders in a system interact, and how their actions and decisions influence each other. The simulation may be used in other areas of natural resource management, as well as in other kinds of multi- stakeholder scenarios. Keywords: Simulation and gaming, Change management, Fisheries, Multi-stakeholder scenarios, Systems thinking, Complexity theory Disciplines: Conflict Resolution, Leadership Studies, Management Studies, Natural Resource Management

Hybrid Simulation in Teaching Clinical Breast Examination to Medical Students.

Science.gov (United States)

Nassif, Joseph; Sleiman, Abdul-Karim; Nassar, Anwar H; Naamani, Sima; Sharara-Chami, Rana

2017-10-10

Clinical breast examination (CBE) is traditionally taught to third-year medical students using a lecture and a tabletop breast model. The opportunity to clinically practice CBE depends on patient availability and willingness to be examined by students, especially in culturally sensitive environments. We propose the use of a hybrid simulation model consisting of a standardized patient (SP) wearing a silicone breast simulator jacket and hypothesize that this, compared to traditional teaching methods, would result in improved learning. Consenting third-year medical students (N = 82) at a university-affiliated tertiary care center were cluster-randomized into two groups: hybrid simulation (breast jacket + SP) and control (tabletop breast model). Students received the standard lecture by instructors blinded to the randomization, followed by randomization group-based learning and practice sessions. Two weeks later, participants were assessed in an Objective Structured Clinical Examination (OSCE), which included three stations with SPs blinded to the intervention. The SPs graded the students on CBE completeness, and students completed a self-assessment of their performance and confidence during the examination. CBE completeness scores did not differ between the two groups (p = 0.889). Hybrid simulation improved lesion identification grades (p simulation relieved the fear of missing a lesion on CBE (p = 0.043) and increased satisfaction with the teaching method among students (p = 0.002). As a novel educational tool, hybrid simulation improves the sensitivity of CBE performed by medical students without affecting its specificity. Hybrid simulation may play a role in increasing the confidence of medical students during CBE.

i3Drive, a 3D interactive driving simulator.

Science.gov (United States)

Ambroz, Miha; Prebil, Ivan

2010-01-01

i3Drive, a wheeled-vehicle simulator, can accurately simulate vehicles of various configurations with up to eight wheels in real time on a desktop PC. It presents the vehicle dynamics as an interactive animation in a virtual 3D environment. The application is fully GUI-controlled, giving users an easy overview of the simulation parameters and letting them adjust those parameters interactively. It models all relevant vehicle systems, including the mechanical models of the suspension, power train, and braking and steering systems. The simulation results generally correspond well with actual measurements, making the system useful for studying vehicle performance in various driving scenarios. i3Drive is thus a worthy complement to other, more complex tools for vehicle-dynamics simulation and analysis.

Mathematical simulation of point defect interaction with grain boundaries

International Nuclear Information System (INIS)

Bojko, V.S.

1987-01-01

Published works, where the interaction of point defects and grain boundaries was studied by mathematical simulation methods, have been analysed. Energetics of the vacancy formation both in nuclei of large-angle special grain boundaries and in lattice regions adjoining them has been considered. The data obtained permit to explain specific features of grain-boundary diffusion processes. Results of mathematical simulation of the interaction of impurity atoms and boundaries have been considered. Specific features of the helium atom interaction with large-angle grain boundaries are analysed as well

Systematic examination of polymorphism in amyloid fibrils by molecular-dynamics simulation.

Science.gov (United States)

Berryman, Joshua T; Radford, Sheena E; Harris, Sarah A

2011-05-04

Amyloid fibrils often exhibit polymorphism. Polymorphs are formed when proteins or peptides with identical sequences self-assemble into fibrils containing substantially different arrangements of the β-strands. We used atomistic molecular-dynamics simulation to examine the thermodynamic stability of a amyloid fibrils in different polymorphic forms by performing a systematic investigation of sequence and symmetry space for a series of peptides with a range of physicochemical properties. We show that the stability of fibrils depends on both sequence and the symmetry because these factors determine the availability of favorable interactions between the peptide strands within a sheet and in intersheet packing. By performing a detailed analysis of these interactions as a function of symmetry, we obtained a series of simple design rules that can be used to determine which polymorphs of a given sequence are most likely to form thermodynamically stable fibrils. These rules can potentially be employed to design peptide sequences that aggregate into a preferred polymorphic form for nanotechnological purposes. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

A Graphical Interactive Simulation Environment for Production Planning in Bacon Factories

DEFF Research Database (Denmark)

Nielsen, Kirsten Mølgaard; Nielsen, Jens Frederik Dalsgaard

1994-01-01

The paper describes a graphical interactive simulation tool for production planning in bacon factories........The paper describes a graphical interactive simulation tool for production planning in bacon factories.....

Shock wave interaction with turbulence: Pseudospectral simulations

International Nuclear Information System (INIS)

Buckingham, A.C.

1986-01-01

Shock waves amplify pre-existing turbulence. Shock tube and shock wave boundary layer interaction experiments provide qualitative confirmation. However, shock pressure, temperature, and rapid transit complicate direct measurement. Computational simulations supplement the experimental data base and help isolate the mechanisms responsible. Simulations and experiments, particularly under reflected shock wave conditions, significantly influence material mixing. In these pseudospectral Navier-Stokes simulations the shock wave is treated as either a moving (tracked or fitted) domain boundary. The simulations assist development of code mix models. Shock Mach number and pre-existing turbulence intensity initially emerge as key parameters. 20 refs., 8 figs

A novel approach to simulate gene-environment interactions in complex diseases

Directory of Open Access Journals (Sweden)

Nicodemi Mario

2010-01-01

Full Text Available Abstract Background Complex diseases are multifactorial traits caused by both genetic and environmental factors. They represent the major part of human diseases and include those with largest prevalence and mortality (cancer, heart disease, obesity, etc.. Despite a large amount of information that has been collected about both genetic and environmental risk factors, there are few examples of studies on their interactions in epidemiological literature. One reason can be the incomplete knowledge of the power of statistical methods designed to search for risk factors and their interactions in these data sets. An improvement in this direction would lead to a better understanding and description of gene-environment interactions. To this aim, a possible strategy is to challenge the different statistical methods against data sets where the underlying phenomenon is completely known and fully controllable, for example simulated ones. Results We present a mathematical approach that models gene-environment interactions. By this method it is possible to generate simulated populations having gene-environment interactions of any form, involving any number of genetic and environmental factors and also allowing non-linear interactions as epistasis. In particular, we implemented a simple version of this model in a Gene-Environment iNteraction Simulator (GENS, a tool designed to simulate case-control data sets where a one gene-one environment interaction influences the disease risk. The main aim has been to allow the input of population characteristics by using standard epidemiological measures and to implement constraints to make the simulator behaviour biologically meaningful. Conclusions By the multi-logistic model implemented in GENS it is possible to simulate case-control samples of complex disease where gene-environment interactions influence the disease risk. The user has full control of the main characteristics of the simulated population and a Monte

EVALUATING AUSTRALIAN FOOTBALL LEAGUE PLAYER CONTRIBUTIONS USING INTERACTIVE NETWORK SIMULATION

Directory of Open Access Journals (Sweden)

Jonathan Sargent

2013-03-01

Full Text Available This paper focuses on the contribution of Australian Football League (AFL players to their team's on-field network by simulating player interactions within a chosen team list and estimating the net effect on final score margin. A Visual Basic computer program was written, firstly, to isolate the effective interactions between players from a particular team in all 2011 season matches and, secondly, to generate a symmetric interaction matrix for each match. Negative binomial distributions were fitted to each player pairing in the Geelong Football Club for the 2011 season, enabling an interactive match simulation model given the 22 chosen players. Dynamic player ratings were calculated from the simulated network using eigenvector centrality, a method that recognises and rewards interactions with more prominent players in the team network. The centrality ratings were recorded after every network simulation and then applied in final score margin predictions so that each player's match contribution-and, hence, an optimal team-could be estimated. The paper ultimately demonstrates that the presence of highly rated players, such as Geelong's Jimmy Bartel, provides the most utility within a simulated team network. It is anticipated that these findings will facilitate optimal AFL team selection and player substitutions, which are key areas of interest to coaches. Network simulations are also attractive for use within betting markets, specifically to provide information on the likelihood of a chosen AFL team list "covering the line".

Simulation of thermal phenomena expected in fuel coolant interactions in LMFBRs

International Nuclear Information System (INIS)

Yasin, J.

1976-12-01

High pressures and mechanical work may result when thermal energy is transferred from molten fuel to the coolant in a Liquid Metal Fast Breeder Reactor core meltdown accident. Two aspects of the interaction are examined in the thesis. First, the formation of high pressure pulses termed ''Vapor Explosions,'' and second, the distribution of the molten material into smaller particles, termed ''Fragmentation'', are studied. To understand the nature of the interaction simulant materials were used. Molten bismuth, molten tin and molten glass were dropped into water under various conditions. The interactions were recorded using multiflash and high speed photographing techniques. The pressure pulses were measured using transducers and the debris was examined by photographing them with an electron microscope. It was observed that vapor explosions have thresholds which depend on the material being dropped, its temperature and the bath conditions. The vapor explosions were enhanced by stratifying the bath. It was also noticed that the intensity of the vapor explosion depends on the way the molten drop fragmented in the initial stages of the interaction. The experiments with glass showed that the mode of fragmentation is important in determining when and if a vapor explosion is to be expected. The glass fragmented extensively but without any accompanying vapor explosion. The electron microscope photographs of the glass debris showed that thermal stress and surface tension phenomenon are apparently the cause of the fragmentation

Simulations of light antinucleus-nucleus interactions

Energy Technology Data Exchange (ETDEWEB)

Galoyan, A., E-mail: galoyan@lxmx00.jinr.ru [JINR, LHEP (Russian Federation); Uzhinsky, V. [JINR, LIT (Russian Federation)

2013-03-15

Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-{sup 3}He and anti-{sup 4}He) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

Simulation of Light Antinucleus-Nucleus Interactions

CERN Document Server

Galoyan, A.

2013-01-01

Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-He3 and anti-He4) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of the anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

Software Design for Interactive Graphic Radiation Treatment Simulation Systems*

Science.gov (United States)

Kalet, Ira J.; Sweeney, Christine; Jacky, Jonathan

1990-01-01

We examine issues in the design of interactive computer graphic simulation programs for radiation treatment planning (RTP), as well as expert system programs that automate parts of the RTP process, in light of ten years of experience at designing, building and using such programs. An experiment in object-oriented design using standard Pascal shows that while some advantage is gained from the design, it is still difficult to achieve modularity and to integrate expert system components. A new design based on the Common LISP Object System (CLOS) is described. This series of designs for RTP software shows that this application benefits in specific ways from object-oriented design methods and appropriate languages and tools.

Thermodynamical analyses of molecular simulations of dislocation-defect interactions: simulations at 0 K

International Nuclear Information System (INIS)

Monnet, G.

2008-01-01

Full text of publication follows. Static molecular (SM) simulations of dislocation-defect interaction are analysed through a framework of different interaction regimes, in which the applied work has different roles. In most regimes, the applied work is transformed into elastic energy, a dissipative energy resulting from the lattice friction and a large quantity of energy needed to enable the dislocation to bow out when it is pinned by the defect. While the dissipative work is entirely evacuated in SM simulations, the elastic and curvature energies contribute to a large increase of the internal energy of the system. A method is presented in this work to evaluate the curvature energy and the result is compared to prediction of the line tension model. These analyses allow the determination of the dislocation-defect interaction energy. (author)

Interactive Heat Transfer Simulations for Everyone

Science.gov (United States)

Xie, Charles

2012-01-01

Heat transfer is widely taught in secondary Earth science and physics. Researchers have identified many misconceptions related to heat and temperature. These misconceptions primarily stem from hunches developed in everyday life (though the confusions in terminology often worsen them). Interactive computer simulations that visualize thermal energy,…

Simulation of AntiMatter–Matter Interactions in Geant4

Directory of Open Access Journals (Sweden)

Galoyan Aida

2018-01-01

Full Text Available Cross sections of antiproton and antinucleus interactions with nuclei are calculated using stochastic averaging method. A new implementation of the Quark-Gluon-String Model (QGSM is proposed for simulation of multi-particle production in antinucleus-nucleus collisions. A combination of the cross sections and the new implementation of QGSM allows experimental data on antiproton and antinucleus interactions with nuclei to be described. The combination is included in the well-known Geant4 simulation toolkit.

An interactive beam position monitor system simulator

International Nuclear Information System (INIS)

Ryan, W.A.; Shea, T.J.

1993-03-01

A system simulator has been implemented to aid the development of the RHIC position monitor system. Based on the LabVIEW software package by National Instruments, this simulator allows engineers and technicians to interactively explore the parameter space of a system during the design phase. Adjustable parameters are divided into three categories: beam, pickup, and electronics. The simulator uses these parameters in simple formulas to produce results in both time-domain and frequencydomain. During the prototyping phase, these simulated results can be compared to test data acquired with the same software package. The RHIC position monitor system is presented as an example, but the software is applicable to several other systems as well

Local simulation algorithms for Coulombic interactions

Indian Academy of Sciences (India)

We consider a problem in dynamically constrained Monte Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever having to evaluate pair potentials or solve the Poisson equation.

Towards Real Time Simulation of Ship-Ship Interaction

DEFF Research Database (Denmark)

Lindberg, Ole; Bingham, Harry B.; Engsig-Karup, Allan Peter

2012-01-01

We present recent and preliminary work directed towards the development of a simplified, physics-based model for improved simulation of ship-ship interaction that can be used for both analysis and real-time computing (i.e. with real-time constraints due to visualization). The goal is to implement...... accurate (realistic) and much faster ship-wave and ship-ship simulations than are currently possible. The coupling of simulation with visualization should improve the visual experience such that it can be perceived as more realistic in training. Today the state-of-art in real-time ship-ship interaction...... is for efficiency reasons and time-constraints in visualization based on model experiments in towing tanks and precomputed force tables. We anticipate that the fast, and highly parallel, algorithm described by Engsig-Karup et al. [2011] for execution on affordable modern high-throughput Graphics Processing Units...

Simulation training for breast and pelvic physical examination: a systematic review and meta-analysis.

Science.gov (United States)

Dilaveri, C A; Szostek, J H; Wang, A T; Cook, D A

2013-09-01

Breast and pelvic examinations are challenging intimate examinations. Technology-based simulation may help to overcome these challenges. To synthesise the evidence regarding the effectiveness of technology-based simulation training for breast and pelvic examination. Our systematic search included MEDLINE, EMBASE, CINAHL, PsychINFO, Scopus, and key journals and review articles; the date of the last search was January 2012. Original research studies evaluating technology-enhanced simulation of breast and pelvic examination to teach learners, compared with no intervention or with other educational activities. The reviewers evaluated study eligibility and abstracted data on methodological quality, learners, instructional design, and outcomes, and used random-effects models to pool weighted effect sizes. In total, 11 272 articles were identified for screening, and 22 studies were eligible, enrolling 2036 trainees. In eight studies comparing simulation for breast examination training with no intervention, simulation was associated with a significant improvement in skill, with a pooled effect size of 0.86 (95% CI 0.52-1.19; P < 0.001). Four studies comparing simulation training for pelvic examination with no intervention had a large and significant benefit, with a pooled effect size of 1.18 (95% CI 0.40-1.96; P = 0.003). Among breast examination simulation studies, dynamic models providing feedback were associated with improved outcomes. In pelvic examination simulation studies, the addition of a standardised patient to the simulation model and the use of an electronic model with enhanced feedback improved outcomes. In comparison with no intervention, breast and pelvic examination simulation training is associated with moderate to large effects for skills outcomes. Enhanced feedback appears to improve learning. © 2013 RCOG.

Testing advanced driver assistance systems with the interactive driving simulator; Erprobung von Fahrerassistenzsystemen mit dem Interactive Driving Simulator

Energy Technology Data Exchange (ETDEWEB)

Friedrichs, A.; Grosse-Kappenberg, S.; Happe, J. [Zentrum fuer Lern- und Wissensmanagement und Lehrstuhl Informatik im Maschinenbau ZLW/IMA der RWTH Aachen (Germany)

2005-07-01

The Centre for Learning and Knowledge Management and Department of Computer Science in Engineering of the Technical University Aachen has developed a truck driving simulator which combines a driving simulation as well as traffic flow calculations to the interactive Driving Simulator (InDriveS). In real-time the effects of the driver's behaviour on the surrounding traffic are considered and vice versa. The integrative part of InDriveS is a software-in-the-loop and hardware-in-the-loop development environment. By means of this tool, all phases of development (Analysis, Design, Modelling, Simulation, Implementation as well as Testing and Evaluation) of new vehicle technologies, e.g. Information and Assistance Systems, can be realised in consideration of the road traffic and the driver's behaviour. (orig.)

Multiscale Molecular Dynamics Simulations of Beta-Amyloid Interactions with Neurons

Science.gov (United States)

Qiu, Liming; Vaughn, Mark; Cheng, Kelvin

2012-10-01

Early events of human beta-amyloid protein interactions with cholesterol-containing membranes are critical to understanding the pathogenesis of Alzheimer's disease (AD) and to exploring new therapeutic interventions of AD. Atomistic molecular dynamics (AMD) simulations have been extensively used to study the protein-lipid interaction at high atomic resolutions. However, traditional MD simulations are not efficient in sampling the phase space of complex lipid/protein systems with rugged free energy landscapes. Meanwhile, coarse-grained MD (CGD) simulations are efficient in the phase space sampling but suffered from low spatial resolutions and from the fact that the energy landscapes are not identical to those of the AMD. Here, a multiscale approach was employed to simulate the protein-lipid interactions of beta-amyloid upon its release from proteolysis residing in the neuronal membranes. We utilized a forward (AMD to CGD) and reverse (CGD-AMD) strategy to explore new transmembrane and surface protein configuration and evaluate the stabilization mechanisms by measuring the residue-specific protein-lipid or protein conformations. The detailed molecular interactions revealed in this multiscale MD approach will provide new insights into understanding the early molecular events leading to the pathogenesis of AD.

Assessment of pharmacy students' communication competence using the Roter Interaction Analysis System during objective structured clinical examinations.

Science.gov (United States)

Kubota, Yoshie; Yano, Yoshitaka; Seki, Susumu; Takada, Kaori; Sakuma, Mio; Morimoto, Takeshi; Akaike, Akinori; Hiraide, Atsushi

2011-04-11

To determine the value of using the Roter Interaction Analysis System during objective structured clinical examinations (OSCEs) to assess pharmacy students' communication competence. As pharmacy students completed a clinical OSCE involving an interview with a simulated patient, 3 experts used a global rating scale to assess students' overall performance in the interview, and both the student's and patient's languages were coded using the Roter Interaction Analysis System (RIAS). The coders recorded the number of utterances (ie, units of spoken language) in each RIAS category. Correlations between the raters' scores and the number and types of utterances were examined. There was a significant correlation between students' global rating scores on the OSCE and the number of utterances in the RIAS socio-emotional category but not the RIAS business category. The RIAS proved to be a useful tool for assessing the socio-emotional aspect of students' interview skills.

[The interactive neuroanatomical simulation and practical application of frontotemporal transsylvian exposure in neurosurgery].

Science.gov (United States)

Balogh, Attila; Czigléczki, Gábor; Papal, Zsolt; Preul, Mark C; Banczerowski, Péter

2014-11-30

There is an increased need for new digital education tools in neurosurgical training. Illustrated textbooks offer anatomic and technical reference but do not substitute hands-on experience provided by surgery or cadaver dissection. Due to limited availability of cadaver dissections the need for development of simulation tools has been augmented. We explored simulation technology for producing virtual reality-like reconstructions of simulated surgical approaches on cadaver. Practical application of the simulation tool has been presented through frontotemporal transsylvian exposure. The dissections were performed on two cadaveric heads. Arteries and veins were prepared and injected with colorful silicon rubber. The heads were rigidly fixed in Mayfield headholder. A robotic microscope with two digital cameras in inverted cone method of image acquisition was used to capture images around a pivot point in several phases of dissections. Multilayered, high-resolution images have been built into interactive 4D environment by custom developed software. We have developed the simulation module of the frontotemporal transsylvian approach. The virtual specimens can be rotated or tilted to any selected angles and examined from different surgical perspectives at any stage of dissections. Important surgical issues such as appropriate head positioning or surgical maneuvers to expose deep situated neuroanatomic structures can be simulated and studied by using the module. The simulation module of the frontotemporal transsylvian exposure helps to examine effect of head positioning on the visibility of deep situated neuroanatomic structures and study surgical maneuvers required to achieve optimal exposure of deep situated anatomic structures. The simulation program is a powerful tool to study issues of preoperative planning and well suited for neurosurgical training.

Fluid, solid and fluid-structure interaction simulations on patient-based abdominal aortic aneurysm models.

Science.gov (United States)

Kelly, Sinead; O'Rourke, Malachy

2012-04-01

This article describes the use of fluid, solid and fluid-structure interaction simulations on three patient-based abdominal aortic aneurysm geometries. All simulations were carried out using OpenFOAM, which uses the finite volume method to solve both fluid and solid equations. Initially a fluid-only simulation was carried out on a single patient-based geometry and results from this simulation were compared with experimental results. There was good qualitative and quantitative agreement between the experimental and numerical results, suggesting that OpenFOAM is capable of predicting the main features of unsteady flow through a complex patient-based abdominal aortic aneurysm geometry. The intraluminal thrombus and arterial wall were then included, and solid stress and fluid-structure interaction simulations were performed on this, and two other patient-based abdominal aortic aneurysm geometries. It was found that the solid stress simulations resulted in an under-estimation of the maximum stress by up to 5.9% when compared with the fluid-structure interaction simulations. In the fluid-structure interaction simulations, flow induced pressure within the aneurysm was found to be up to 4.8% higher than the value of peak systolic pressure imposed in the solid stress simulations, which is likely to be the cause of the variation in the stress results. In comparing the results from the initial fluid-only simulation with results from the fluid-structure interaction simulation on the same patient, it was found that wall shear stress values varied by up to 35% between the two simulation methods. It was concluded that solid stress simulations are adequate to predict the maximum stress in an aneurysm wall, while fluid-structure interaction simulations should be performed if accurate prediction of the fluid wall shear stress is necessary. Therefore, the decision to perform fluid-structure interaction simulations should be based on the particular variables of interest in a given

An Interactive Simulation Tool for Production Planning in Bacon Factories

DEFF Research Database (Denmark)

Nielsen, Jens Frederik Dalsgaard; Nielsen, Kirsten Mølgaard

1994-01-01

The paper describes an interactive simulation tool for production planning in bacon factories. The main aim of the tool is to make it possible to combine the production plans of all parts of the factory......The paper describes an interactive simulation tool for production planning in bacon factories. The main aim of the tool is to make it possible to combine the production plans of all parts of the factory...

RadSim: a program to simulate individual particle interactions for educational purposes

International Nuclear Information System (INIS)

Verhaegen, Frank; Palefsky, Steven; DeBlois, Francois

2006-01-01

A program was developed, RadSim, which can be used to simulate certain individual interactions of photons, electrons, positrons and alpha particles with a single atom for educational purposes. The program can be run in two modes: manual and simulated. In the manual mode, an individual particle undergoing a specified interaction with a target atom can be simulated, which essentially comes down to a graphical evaluation of kinematic equations. In the simulated mode, a preset number of identical particles are allowed to undergo a specified interaction type with a target atom. The exit channel of the interaction is sampled from probability distributions using Monte Carlo methods. The incoming and outgoing particles are visualized and the frequency distribution of the kinematic variables of the exit channel is displayed graphically. It has to be emphasized that RadSim was mainly developed for educational purposes. (note)

Kinetic Simulations of Plasma Energization and Particle Acceleration in Interacting Magnetic Flux Ropes

Science.gov (United States)

Du, S.; Guo, F.; Zank, G. P.; Li, X.; Stanier, A.

2017-12-01

The interaction between magnetic flux ropes has been suggested as a process that leads to efficient plasma energization and particle acceleration (e.g., Drake et al. 2013; Zank et al. 2014). However, the underlying plasma dynamics and acceleration mechanisms are subject to examination of numerical simulations. As a first step of this effort, we carry out 2D fully kinetic simulations using the VPIC code to study the plasma energization and particle acceleration during coalescence of two magnetic flux ropes. Our analysis shows that the reconnection electric field and compression effect are important in plasma energization. The results may help understand the energization process associated with magnetic flux ropes frequently observed in the solar wind near the heliospheric current sheet.

Dynamics simulations for engineering macromolecular interactions

Science.gov (United States)

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

2013-01-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could

Simulation experiences of paramedic students: a cross-cultural examination

Directory of Open Access Journals (Sweden)

Williams B

2016-03-01

Full Text Available Brett Williams,1 Chloe Abel,1 Eihab Khasawneh,2 Linda Ross,1 Tracy Levett-Jones31Department of Community Emergency Health & Paramedic Practice, Monash University, Frankston, Victoria, Australia; 2Faculty of Applied Medical Sciences, Jordan University of Science and Technology, Irbid, Jordan; 3School of Nursing and Midwifery, The University of Newcastle, Callaghan, New South Wales, AustraliaBackground: Simulation-based education is an important part of paramedic education and ­training. While accessing clinical placements that are adequate in quality and quantity continues to be challenging, simulation is being recognized by paramedic academics as a potential alternative. Examining students’ satisfaction of simulation, particularly cross-culturally is therefore important in providing feedback to academic teaching staff and the international paramedic community.Objective: This study aimed to compare simulation satisfaction among paramedic students from universities in Australia and Jordan.Methods: A cross-sectional study using a paper-based English version of the Satisfaction with Simulation Experience Scale was administered to paramedic students from all year levels.Results: A total of 511 students participated in this study; 306 students (60% from Australia (Monash University and 205 students (40% from Jordan (Jordan University of Science and Technology. There were statistically significant differences with large effect size noted in all three original factors between Australian and Jordanian students: debrief and feedback (mean =38.66 vs mean =34.15; P<0.001; d=0.86, clinical reasoning (mean =21.32 vs mean =18.28; P<0.001; d=0.90, and clinical learning (mean =17.59 vs mean =15.47; P<0.001; d=1.12.Conclusion: This study has demonstrated that simulation education is generally well received by students in Australia and Jordan although Australian students reported having higher satisfaction levels then their Jordanian counterparts. These results

Euler-Lagrange Simulations of Shock Wave-Particle Cloud Interaction

Science.gov (United States)

Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Park, Chanyoung; Balachandar, S.

2017-11-01

Numerical experiments of shock interacting with an evolving and fixed cloud of particles are performed. In these simulations we use Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. As validation, we use Sandia Multiphase Shock Tube experiments and particle-resolved simulations. The particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In the simulations evolving the particle cloud, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. Measurements of particle dispersion are made at different initial volume fractions. A detailed analysis of the influence of initial conditions on the evolution of the particle cloudis presented. The early time behavior of the models is studied in the fixed bed simulations at varying volume fractions and shock Mach numbers.The mean gas quantities are measured in the context of 1-way and 2-way coupled simulations. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

Using interactive model simulations in co-design : An experiment in urban design

NARCIS (Netherlands)

Steen, M.G.D.; Arendsen, J.; Cremers, A.H.M.; Vries, A. de; Jong, J.M.G. de; Koning, N.M. de

2013-01-01

This paper presents an experiment in which people performed a co-design task in urban design, using a multi-user touch table application with or without interactive model simulations. We hypothesised that using the interactive model simulations would improve communication and co-operation between

Simulating Complex, Cold-region Process Interactions Using a Multi-scale, Variable-complexity Hydrological Model

Science.gov (United States)

Marsh, C.; Pomeroy, J. W.; Wheater, H. S.

2017-12-01

Accurate management of water resources is necessary for social, economic, and environmental sustainability worldwide. In locations with seasonal snowcovers, the accurate prediction of these water resources is further complicated due to frozen soils, solid-phase precipitation, blowing snow transport, and snowcover-vegetation-atmosphere interactions. Complex process interactions and feedbacks are a key feature of hydrological systems and may result in emergent phenomena, i.e., the arising of novel and unexpected properties within a complex system. One example is the feedback associated with blowing snow redistribution, which can lead to drifts that cause locally-increased soil moisture, thus increasing plant growth that in turn subsequently impacts snow redistribution, creating larger drifts. Attempting to simulate these emergent behaviours is a significant challenge, however, and there is concern that process conceptualizations within current models are too incomplete to represent the needed interactions. An improved understanding of the role of emergence in hydrological systems often requires high resolution distributed numerical hydrological models that incorporate the relevant process dynamics. The Canadian Hydrological Model (CHM) provides a novel tool for examining cold region hydrological systems. Key features include efficient terrain representation, allowing simulations at various spatial scales, reduced computational overhead, and a modular process representation allowing for an alternative-hypothesis framework. Using both physics-based and conceptual process representations sourced from long term process studies and the current cold regions literature allows for comparison of process representations and importantly, their ability to produce emergent behaviours. Examining the system in a holistic, process-based manner can hopefully derive important insights and aid in development of improved process representations.

Dynamic Interactions for Network Visualization and Simulation

Science.gov (United States)

2009-03-01

projects.htm, Site accessed January 5, 2009. 12. John S. Weir, Major, USAF, Mediated User-Simulator Interactive Command with Visualization ( MUSIC -V). Master’s...Computing Sciences in Colleges, December 2005). 14. Enrique Campos -Nanez, “nscript user manual,” Department of System Engineer- ing University of

Neurosurgical simulation by interactive computer graphics on iPad.

Science.gov (United States)

Maruyama, Keisuke; Kin, Taichi; Saito, Toki; Suematsu, Shinya; Gomyo, Miho; Noguchi, Akio; Nagane, Motoo; Shiokawa, Yoshiaki

2014-11-01

Presurgical simulation before complicated neurosurgery is a state-of-the-art technique, and its usefulness has recently become well known. However, simulation requires complex image processing, which hinders its widespread application. We explored handling the results of interactive computer graphics on the iPad tablet, which can easily be controlled anywhere. Data from preneurosurgical simulations from 12 patients (4 men, 8 women) who underwent complex brain surgery were loaded onto an iPad. First, DICOM data were loaded using Amira visualization software to create interactive computer graphics, and ParaView, another free visualization software package, was used to convert the results of the simulation to be loaded using the free iPad software KiwiViewer. The interactive computer graphics created prior to neurosurgery were successfully displayed and smoothly controlled on the iPad in all patients. The number of elements ranged from 3 to 13 (mean 7). The mean original data size was 233 MB, which was reduced to 10.4 MB (4.4% of original size) after image processing by ParaView. This was increased to 46.6 MB (19.9%) after decompression in KiwiViewer. Controlling the magnification, transfer, rotation, and selection of translucence in 10 levels of each element were smoothly and easily performed using one or two fingers. The requisite skill to smoothly control the iPad software was acquired within 1.8 trials on average in 12 medical students and 6 neurosurgical residents. Using an iPad to handle the result of preneurosurgical simulation was extremely useful because it could easily be handled anywhere.

An Initial Examination for Verifying Separation Algorithms by Simulation

Science.gov (United States)

White, Allan L.; Neogi, Natasha; Herencia-Zapana, Heber

2012-01-01

An open question in algorithms for aircraft is what can be validated by simulation where the simulation shows that the probability of undesirable events is below some given level at some confidence level. The problem is including enough realism to be convincing while retaining enough efficiency to run the large number of trials needed for high confidence. The paper first proposes a goal based on the number of flights per year in several regions. The paper examines the probabilistic interpretation of this goal and computes the number of trials needed to establish it at an equivalent confidence level. Since any simulation is likely to consider the algorithms for only one type of event and there are several types of events, the paper examines under what conditions this separate consideration is valid. This paper is an initial effort, and as such, it considers separation maneuvers, which are elementary but include numerous aspects of aircraft behavior. The scenario includes decisions under uncertainty since the position of each aircraft is only known to the other by broadcasting where GPS believes each aircraft to be (ADS-B). Each aircraft operates under feedback control with perturbations. It is shown that a scenario three or four orders of magnitude more complex is feasible. The question of what can be validated by simulation remains open, but there is reason to be optimistic.

Interactive monitoring portal for fusion simulations

International Nuclear Information System (INIS)

Abla, G.; Schissel, D.P.; Kim, E.N.; Flanagan, S.M.; Lee, X.

2012-01-01

Highlights: ► We designed a web-based monitoring system that tracks the status of fusion simulations. ► Our system is scalable to monitor the simulations running on distributed supercomputers and clusters located at multiple geographical locations. ► The monitoring portal provides a web-based interface for post-run analysis, such as visualizing the results, logging the user comments, and rating the simulation quality. ► Our system utilizes the open source software, such as Python, Django, MySQL, Apache, and MDSplus. - Abstract: The Center for Simulation of RF Wave Interactions with Magnetohydrodynamics (SWIM) Project is a proto-Fusion Simulation Program (FSP) whose goal is to study high-performance fusion plasmas and perform comprehensive simulations that are essential to the development of fusion. SWIM team members are geographically distributed and utilize distributed supercomputers for computational simulations. Due to the highly distributed computational work environment, the SWIM team has the difficulty of monitoring code runs and discovering historical runs. To alleviate this difficulty a web-based monitoring portal has been developed and deployed. The monitoring portal tracks the progress of simulations and automatically collects metadata in real-time. This capability helps scientists to effectively utilize precious computer resources. Furthermore, the portal provides a web-based interface for post-run analysis, such as visualizing the results, logging the user comments, and rating the simulation quality. The user interface provides rapid discovery capability via multi-field searching and sorting. The development of the monitoring portal used open source software, such as Python, Django, MySQL, and Apache. It uses MDSplus for data management, Memcached for data caches, and OpenID for single sign-on security. This paper describes the software architecture, related technologies and deployment experiences of the monitoring portal.

Interactive Mathematica Simulations in Chemical Engineering Courses

Science.gov (United States)

Falconer, John L.; Nicodemus, Garret D.

2014-01-01

Interactive Mathematica simulations with graphical displays of system behavior are an excellent addition to chemical engineering courses. The Manipulate command in Mathematica creates on-screen controls that allow users to change system variables and see the graphical output almost instantaneously. They can be used both in and outside class. More…

Methodology for the interactive graphic simulator construction

International Nuclear Information System (INIS)

Milian S, Idalmis; Rodriguez M, Lazaro; Lopez V, Miguel A.

1997-01-01

The PC-supported Interactive Graphic Simulators (IGS) have successfully been used for industrial training programs in many countries. This paper is intended to illustrate the general methodology applied by our research team for the construction of this kind of conceptual or small scale simulators. The information and tools available to achieve this goal are also described. The applicability of the present methodology was confirmed with the construction of a set of IGS for nuclear power plants operators training programs in Cuba. One of them, relating reactor kinetics, is shown and briefly described in this paper. (author). 11 refs., 3 figs

Molecular dynamics simulations of lipid bilayers : major artifacts due to truncating electrostatic interactions

NARCIS (Netherlands)

Patra, M.; Karttunen, M.E.J.; Hyvönen, M.T.; Falck, E.; Lindqvist, P.; Vattulainen, I.

2003-01-01

We study the influence of truncating the electrostatic interactions in a fully hydrated pure dipalmitoylphosphatidylcholine (DPPC) bilayer through 20 ns molecular dynamics simulations. The computations in which the electrostatic interactions were truncated are compared to similar simulations using

Interactive simulations for quantum key distribution

Science.gov (United States)

Kohnle, Antje; Rizzoli, Aluna

2017-05-01

Secure communication protocols are becoming increasingly important, e.g. for internet-based communication. Quantum key distribution (QKD) allows two parties, commonly called Alice and Bob, to generate a secret sequence of 0s and 1s called a key that is only known to themselves. Classically, Alice and Bob could never be certain that their communication was not compromised by a malicious eavesdropper. Quantum mechanics however makes secure communication possible. The fundamental principle of quantum mechanics that taking a measurement perturbs the system (unless the measurement is compatible with the quantum state) also applies to an eavesdropper. Using appropriate protocols to create the key, Alice and Bob can detect the presence of an eavesdropper by errors in their measurements. As part of the QuVis Quantum Mechanics Visualisation Project, we have developed a suite of four interactive simulations that demonstrate the basic principles of three different QKD protocols. The simulations use either polarised photons or spin 1/2 particles as physical realisations. The simulations and accompanying activities are freely available for use online or download, and run on a wide range of devices including tablets and PCs. Evaluation with students over three years was used to refine the simulations and activities. Preliminary studies show that the refined simulations and activities help students learn the basic principles of QKD at both the introductory and advanced undergraduate levels.

Interactive simulations for quantum key distribution

International Nuclear Information System (INIS)

Kohnle, Antje; Rizzoli, Aluna

2017-01-01

Secure communication protocols are becoming increasingly important, e.g. for internet-based communication. Quantum key distribution (QKD) allows two parties, commonly called Alice and Bob, to generate a secret sequence of 0s and 1s called a key that is only known to themselves. Classically, Alice and Bob could never be certain that their communication was not compromised by a malicious eavesdropper. Quantum mechanics however makes secure communication possible. The fundamental principle of quantum mechanics that taking a measurement perturbs the system (unless the measurement is compatible with the quantum state) also applies to an eavesdropper. Using appropriate protocols to create the key, Alice and Bob can detect the presence of an eavesdropper by errors in their measurements. As part of the QuVis Quantum Mechanics Visualisation Project, we have developed a suite of four interactive simulations that demonstrate the basic principles of three different QKD protocols. The simulations use either polarised photons or spin 1/2 particles as physical realisations. The simulations and accompanying activities are freely available for use online or download, and run on a wide range of devices including tablets and PCs. Evaluation with students over three years was used to refine the simulations and activities. Preliminary studies show that the refined simulations and activities help students learn the basic principles of QKD at both the introductory and advanced undergraduate levels. (paper)

Simulation Architecture for Modelling Interaction Between User and Elbow-articulated Exoskeleton

NARCIS (Netherlands)

Kruif, B.J. de; Schmidhauser, E.; Stadler, K.S.; O'Sullivan, L.W.

2017-01-01

The aim of our work is to improve the existing user-exoskeleton models by introducing a simulation architecture that can simulate its dynamic interaction, thereby altering the initial motion of the user. A simulation architecture is developed that uses the musculoskeletal models from OpenSim, and

Interactive exploration of tokamak turbulence simulations in virtual reality

International Nuclear Information System (INIS)

Kerbel, G.D.; Pierce, T.; Milovich, J.L.; Shumaker, D.E.

1996-01-01

We have developed an immersive visualization system designed for interactive data exploration as an integral part of our computing environment for studying tokamak turbulence. This system of codes can reproduce the results of simulations visually for scrutiny in real time, interactively and with more realism than ever before. At peak performance, the VR system can present for view some 400 coordinated images per second. The long term vision this approach targets is a open-quote holodeck-like close-quote virtual-reality environment in which one can explore gyrofluid or gyrokinetic plasma simulations interactively and in real time, visually, with concurrent simulations of experimental diagnostic devices. In principle, such a open-quote virtual tokamak close-quote computed environment could be as all encompassing or as focussed as one likes, in terms of the physics involved. The computing framework in one within which a group of researchers can work together to produce a real and identifiable product with easy access to all contributions. This could be our version of NASA's next generation Numerical Wind Tunnel. The principal purpose of this VR capability for Numerical Tokamak simulation is to provide interactive visual experience to help create new ways of understanding aspects of the convective transport processes operating in tokamak fusion experiments. The effectiveness of the visualization method is strongly dependent on the density of frame-to-frame correlation. Below a threshold of this quantity, short term visual memory does not bridge the gap between frames well enough for there to exist a strong visual connection. Above the threshold, evolving structures appear clearly. The visualizations show the 3D structure of vortex evolution and the gyrofluid motion associated with it. We discovered that it was very helpful for visualizing the cross field flows to compress the virtual world in the toroidal angle

DataSpaces: An Interaction and Coordination Framework for Coupled Simulation Workflows

International Nuclear Information System (INIS)

Docan, Ciprian; Klasky, Scott A.; Parashar, Manish

2010-01-01

Emerging high-performance distributed computing environments are enabling new end-to-end formulations in science and engineering that involve multiple interacting processes and data-intensive application workflows. For example, current fusion simulation efforts are exploring coupled models and codes that simultaneously simulate separate application processes, such as the core and the edge turbulence, and run on different high performance computing resources. These components need to interact, at runtime, with each other and with services for data monitoring, data analysis and visualization, and data archiving. As a result, they require efficient support for dynamic and flexible couplings and interactions, which remains a challenge. This paper presents Data-Spaces, a flexible interaction and coordination substrate that addresses this challenge. DataSpaces essentially implements a semantically specialized virtual shared space abstraction that can be associatively accessed by all components and services in the application workflow. It enables live data to be extracted from running simulation components, indexes this data online, and then allows it to be monitored, queried and accessed by other components and services via the space using semantically meaningful operators. The underlying data transport is asynchronous, low-overhead and largely memory-to-memory. The design, implementation, and experimental evaluation of DataSpaces using a coupled fusion simulation workflow is presented.

Progress of laser-plasma interaction simulations with the particle-in-cell code

International Nuclear Information System (INIS)

Sakagami, Hitoshi; Kishimoto, Yasuaki; Sentoku, Yasuhiko; Taguchi, Toshihiro

2005-01-01

As the laser-plasma interaction is a non-equilibrium, non-linear and relativistic phenomenon, we must introduce a microscopic method, namely, the relativistic electromagnetic PIC (Particle-In-Cell) simulation code. The PIC code requires a huge number of particles to validate simulation results, and its task is very computation-intensive. Thus simulation researches by the PIC code have been progressing along with advances in computer technology. Recently, parallel computers with tremendous computational power have become available, and thus we can perform three-dimensional PIC simulations for the laser-plasma interaction to investigate laser fusion. Some simulation results are shown with figures. We discuss a recent trend of large-scale PIC simulations that enable direct comparison between experimental facts and computational results. We also discharge/lightning simulations by the extended PIC code, which include various atomic and relaxation processes. (author)

Optimization Model for Web Based Multimodal Interactive Simulations.

Science.gov (United States)

Halic, Tansel; Ahn, Woojin; De, Suvranu

2015-07-15

This paper presents a technique for optimizing the performance of web based multimodal interactive simulations. For such applications where visual quality and the performance of simulations directly influence user experience, overloading of hardware resources may result in unsatisfactory reduction in the quality of the simulation and user satisfaction. However, optimization of simulation performance on individual hardware platforms is not practical. Hence, we present a mixed integer programming model to optimize the performance of graphical rendering and simulation performance while satisfying application specific constraints. Our approach includes three distinct phases: identification, optimization and update . In the identification phase, the computing and rendering capabilities of the client device are evaluated using an exploratory proxy code. This data is utilized in conjunction with user specified design requirements in the optimization phase to ensure best possible computational resource allocation. The optimum solution is used for rendering (e.g. texture size, canvas resolution) and simulation parameters (e.g. simulation domain) in the update phase. Test results are presented on multiple hardware platforms with diverse computing and graphics capabilities to demonstrate the effectiveness of our approach.

Monitoring peptide-surface interaction by means of molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Nonella, Marco, E-mail: mnonella@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland); Seeger, Stefan, E-mail: sseeger@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)

2010-12-09

Graphical abstract: Protein-surface interactions play a crucial role in a wide field of research areas like biology, biotechnology, or pharmacology. Only recently, it has been shown that not only peptide adsorption represents an important process but also spreading and clustering of adsorbed proteins. By means of classical molecular dynamics, peptide adsorption as well as the dynamics of adsorbed peptides have been investigated in order to gain deeper insight into such processes. The picture shows a snapshot of an adsorbed peptide on a silica surface showing strong direct hydrogen bonding. Research highlights: {yields} Simulation of peptide surface interaction. {yields} Dynamics of hydrogen bond formation and destruction. {yields} Internal flexibility of adsorbed peptides. - Abstract: Protein adsorption and protein surface interactions have become an important research topic in recent years. Very recently, for example, it has been shown that protein clusters can undergo a surface-induced spreading after adsorption. Such phenomena emphasize the need of a more detailed insight into protein-silica interaction at an atomic level. Therefore, we have studied a model system consisting of a short peptide, a silica slab, and water molecules by means of classical molecular dynamics simulations. The study reveals that, besides of electrostatic interactions caused by the chosen charge distribution, the peptide interacts with the silica surface through formation of direct peptide-surface hydrogen bonds as well as indirect peptide-water-surface hydrogen bonds. The number of created hydrogen bonds varies considerably among the simulated structures. The strength of hydrogen bonding determines the mobility of the peptide on the surface and the internal flexibility of the adsorbed peptide.

Stochastic simulation of ecohydrological interactions between vegetation and groundwater

Science.gov (United States)

Dwelle, M. C.; Ivanov, V. Y.; Sargsyan, K.

2017-12-01

The complex interactions between groundwater and vegetation in the Amazon rainforest may yield vital ecophysiological interactions in specific landscape niches such as buffering plant water stress during dry season or suppression of water uptake due to anoxic conditions. Representation of such processes is greatly impacted by both external and internal sources of uncertainty: inaccurate data and subjective choice of model representation. The models that can simulate these processes are complex and computationally expensive, and therefore make it difficult to address uncertainty using traditional methods. We use the ecohydrologic model tRIBS+VEGGIE and a novel uncertainty quantification framework applied to the ZF2 watershed near Manaus, Brazil. We showcase the capability of this framework for stochastic simulation of vegetation-hydrology dynamics. This framework is useful for simulation with internal and external stochasticity, but this work will focus on internal variability of groundwater depth distribution and model parameterizations. We demonstrate the capability of this framework to make inferences on uncertain states of groundwater depth from limited in situ data, and how the realizations of these inferences affect the ecohydrological interactions between groundwater dynamics and vegetation function. We place an emphasis on the probabilistic representation of quantities of interest and how this impacts the understanding and interpretation of the dynamics at the groundwater-vegetation interface.

Inclusive Education: An Examination of School Relationships and Student Interactions

Science.gov (United States)

Sanchez-Marti, Angelina; Ramirez-Iniguez, Alma A.

2012-01-01

The aim of this paper is to examine inclusive education in multicultural contexts from an interaction networks perspective. The paper is based on the idea that inclusive education can be better understood by studying how native and non-native students interact, and what kinds of networks they establish in school. To do so, we assume two premises:…

Depletion interactions in two-dimensional colloid-polymer mixtures: molecular dynamics simulations

International Nuclear Information System (INIS)

Kim, Soon-Chul; Seong, Baek-Seok; Suh, Soong-Hyuck

2009-01-01

The depletion interactions acting between two hard colloids immersed in a bath of polymers, in which the interaction potentials include the soft repulsion/attraction, are extensively studied by using the molecular dynamics simulations. The collision frequencies and collision angle distributions for both incidental and reflection conditions are computed to study the dynamic properties of the colloidal mixtures. The depletion effect induced by the polymer-polymer and colloid-polymer interactions are investigated as well as the size ratio of the colloid and polymer. The simulated results show that the strong depletion interaction between two hard colloids appears for the highly asymmetric hard-disc mixtures. The attractive depletion force at contact becomes deeper and the repulsive barrier becomes wider as the asymmetry in size ratio increases. The strong polymer-polymer attraction leads to the purely attractive depletion interaction between two hard colloids, whereas the purely repulsive depletion interaction is induced by the strong colloid-polymer attraction.

Modeling and Simulation for Exploring Human-Robot Team Interaction Requirements

Energy Technology Data Exchange (ETDEWEB)

Dudenhoeffer, Donald Dean; Bruemmer, David Jonathon; Davis, Midge Lee

2001-12-01

Small-sized and micro-robots will soon be available for deployment in large-scale forces. Consequently, the ability of a human operator to coordinate and interact with largescale robotic forces is of great interest. This paper describes the ways in which modeling and simulation have been used to explore new possibilities for human-robot interaction. The paper also discusses how these explorations have fed implementation of a unified set of command and control concepts for robotic force deployment. Modeling and simulation can play a major role in fielding robot teams in actual missions. While live testing is preferred, limitations in terms of technology, cost, and time often prohibit extensive experimentation with physical multi-robot systems. Simulation provides insight, focuses efforts, eliminates large areas of the possible solution space, and increases the quality of actual testing.

Uncertainty quantification in ion–solid interaction simulations

Energy Technology Data Exchange (ETDEWEB)

Preuss, R., E-mail: preuss@ipp.mpg.de; Toussaint, U. von

2017-02-15

Within the framework of Bayesian uncertainty quantification we propose a non-intrusive reduced-order spectral approach (polynomial chaos expansion) to the simulation of ion–solid interactions. The method not only reduces the number of function evaluations but provides simultaneously a quantitative measure for which combinations of inputs have the most important impact on the result. It is applied to SDTRIM-simulations (Möller et al., 1988) with several uncertain and Gaussian distributed input parameters (i.e. angle, projectile energy, surface binding energy, target composition) and the results are compared to full-grid based approaches and sampling based methods with respect to reliability, efficiency and scalability.

Simulator training and licensing examination for nuclear power station operator

International Nuclear Information System (INIS)

Xu Pingsheng

2007-01-01

For the recruitment, training and position qualification of the simulator instructors and feedback of training effect, the management approaches are formulated in 'The System for Simulator Training and Licensing Examination of Daya Bay Nuclear Power Station Operators'. The concrete requirements on the professional knowledge, work experience and foreign language ability of a simulator instructor are put forward. The process of instructor training is designed. The training items include the trainer training, pedagogy training, time management training, operation activities training during outage of unit, 'shadow' training and on-the-jot training on simulator courses. Job rotation is realized between simulator instructor and licensing personnel on site. New simulator instructor must pass the qualification identification. After a duration of 2 years, re-qualification has to be carried out. On the basis of the operator training method introduced from EDF (electricite De France), some new courses are developed and the improvement on the initial training, retaining courses, the technical support and the experience feedback by using the simulator is done also. (authors)

Simulation of flame-vortex interaction using detailed and reduced

Energy Technology Data Exchange (ETDEWEB)

Hilka, M. [Gaz de France (GDF), 75 - Paris (France); Veynante, D. [Ecole Centrale de Paris, Laboratoire EM2C. CNRS, 92 - Chatenay-Malabry (France); Baum, M. [CERFACS (France); Poinsot, T.J. [Centre National de la Recherche Scientifique (CNRS), 45 - Orleans-la-Source (France). Institut de Mecanique des Fluides de Toulouse

1996-12-31

The interaction between a pair of counter-rotating vortices and a lean premixed CH{sub 4}/O{sub 2}/N{sub 2} flame ({Phi} = + 0.55) has been studied by direct numerical simulations using detailed and reduced chemical reaction schemes. Results from the complex chemistry simulation are discussed with respect to earlier experiments and differences in the simulations using detailed and reduces chemistry are investigated. Transient evolutions of the flame surface and the total heat release rate are compared and modifications in the evolution of the local flame structure are displayed. (authors) 22 refs.

Simulator: A Pilot Interactive Simulation Program for Use in Teaching Public Relations.

Science.gov (United States)

Pavlik, John V.

An interactive simulation program was developed for use in teaching students how to handle public relations problems. The program user is placed in the role of assistant newsletter editor, facing a series of decision-making situations. Each choice the user makes affects the subsequent reality created by the program, which is designed to provide…

Evaluation of an interactive case simulation system in dermatology and venereology for medical students

Directory of Open Access Journals (Sweden)

Hindbeck Hans

2006-08-01

Full Text Available Abstract Background Most of the many computer resources used in clinical teaching of dermatology and venereology for medical undergraduates are information-oriented and focus mostly on finding a "correct" multiple-choice alternative or free-text answer. We wanted to create an interactive computer program, which facilitates not only factual recall but also clinical reasoning. Methods Through continuous interaction with students, a new computerised interactive case simulation system, NUDOV, was developed. It is based on authentic cases and contains images of real patients, actors and healthcare providers. The student selects a patient and proposes questions for medical history, examines the skin, and suggests investigations, diagnosis, differential diagnoses and further management. Feedback is given by comparing the user's own suggestions with those of a specialist. In addition, a log file of the student's actions is recorded. The program includes a large number of images, video clips and Internet links. It was evaluated with a student questionnaire and by randomising medical students to conventional teaching (n = 85 or conventional teaching plus NUDOV (n = 31 and comparing the results of the two groups in a final written examination. Results The questionnaire showed that 90% of the NUDOV students stated that the program facilitated their learning to a large/very large extent, and 71% reported that extensive working with authentic computerised cases made it easier to understand and learn about diseases and their management. The layout, user-friendliness and feedback concept were judged as good/very good by 87%, 97%, and 100%, respectively. Log files revealed that the students, in general, worked with each case for 60–90 min. However, the intervention group did not score significantly better than the control group in the written examination. Conclusion We created a computerised case simulation program allowing students to manage patients in a non

Simulation study of the beam-beam interaction at SPEAR

International Nuclear Information System (INIS)

Tennyson, J.

1980-01-01

A two dimensional simulation study of the beam-beam interaction at SPEAR indicates that quantum fluctuations affecting the horizontal betatron oscillation play a critical role in the vertical beam blowup

Interactive Simulations to Support Quantum Mechanics Instruction for Chemistry Students

Science.gov (United States)

Kohnle, Antje; Benfield, Cory; Hahner, Georg; Paetkau, Mark

2017-01-01

The QuVis Quantum Mechanics Visualization Project provides freely available research-based interactive simulations with accompanying activities for the teaching and learning of quantum mechanics across a wide range of topics and levels. This article gives an overview of some of the simulations and describes their use in an introductory physical…

VASA: Interactive Computational Steering of Large Asynchronous Simulation Pipelines for Societal Infrastructure.

Science.gov (United States)

Ko, Sungahn; Zhao, Jieqiong; Xia, Jing; Afzal, Shehzad; Wang, Xiaoyu; Abram, Greg; Elmqvist, Niklas; Kne, Len; Van Riper, David; Gaither, Kelly; Kennedy, Shaun; Tolone, William; Ribarsky, William; Ebert, David S

2014-12-01

We present VASA, a visual analytics platform consisting of a desktop application, a component model, and a suite of distributed simulation components for modeling the impact of societal threats such as weather, food contamination, and traffic on critical infrastructure such as supply chains, road networks, and power grids. Each component encapsulates a high-fidelity simulation model that together form an asynchronous simulation pipeline: a system of systems of individual simulations with a common data and parameter exchange format. At the heart of VASA is the Workbench, a visual analytics application providing three distinct features: (1) low-fidelity approximations of the distributed simulation components using local simulation proxies to enable analysts to interactively configure a simulation run; (2) computational steering mechanisms to manage the execution of individual simulation components; and (3) spatiotemporal and interactive methods to explore the combined results of a simulation run. We showcase the utility of the platform using examples involving supply chains during a hurricane as well as food contamination in a fast food restaurant chain.

Interactive real-time nuclear plant simulations on a UNIX based supercomputer

International Nuclear Information System (INIS)

Behling, S.R.

1990-01-01

Interactive real-time nuclear plant simulations are critically important to train nuclear power plant engineers and operators. In addition, real-time simulations can be used to test the validity and timing of plant technical specifications and operational procedures. To accurately and confidently simulate a nuclear power plant transient in real-time, sufficient computer resources must be available. Since some important transients cannot be simulated using preprogrammed responses or non-physical models, commonly used simulation techniques may not be adequate. However, the power of a supercomputer allows one to accurately calculate the behavior of nuclear power plants even during very complex transients. Many of these transients can be calculated in real-time or quicker on the fastest supercomputers. The concept of running interactive real-time nuclear power plant transients on a supercomputer has been tested. This paper describes the architecture of the simulation program, the techniques used to establish real-time synchronization, and other issues related to the use of supercomputers in a new and potentially very important area. (author)

Optimal learning in a virtual patient simulation of cranial nerve palsies: the interaction between social learning context and student aptitude.

Science.gov (United States)

Johnson, Teresa R; Lyons, Rebecca; Chuah, Joon Hao; Kopper, Regis; Lok, Benjamin C; Cendan, Juan C

2013-01-01

Simulation in medical education provides students with opportunities to practice interviews, examinations, and diagnosis formulation related to complex conditions without risks to patients. To examine differences between individual and team participation on learning outcomes and student perspectives through use of virtual patients (VPs) for teaching cranial nerve (CN) evaluation. Fifty-seven medical students were randomly assigned to complete simulation exercises either as individuals or as members of three-person teams. Students interviewed, examined, and diagnosed VPs with possible CN damage in the neurological exam rehearsal virtual environment (NERVE). Knowledge of CN abnormalities was assessed pre- and post-simulation. Student perspectives of system usability were evaluated post-simulation. An aptitude-treatment interaction (ATI) effect was detected; at pre-test scores ≤ 50%, students in teams scored higher (83%) at post-test than did students as individuals (62%, p = 0.02). Post-simulation, students in teams reported greater confidence in their ability to diagnose CN abnormalities than did students as individuals (p = 0.02; mean rating = 4.0/5.0 and 3.4/5.0, respectively). The ATI effect allows us to begin defining best practices for the integration of VP simulators into the medical curriculum. We are persuaded to implement future NERVE exercises with small teams of medical students.

Optimal learning in a virtual patient simulation of cranial nerve palsies: The interaction between social learning context and student aptitude

Science.gov (United States)

JOHNSON, TERESA R.; LYONS, REBECCA; CHUAH, JOON HAO; KOPPER, REGIS; LOK, BENJAMIN C.; CENDAN, JUAN C.

2013-01-01

Background Simulation in medical education provides students with opportunities to practice interviews, examinations, and diagnosis formulation related to complex conditions without risks to patients. Aim To examine differences between individual and team participation on learning outcomes and student perspectives through use of virtual patients (VPs) for teaching cranial nerve (CN) evaluation. Methods Fifty-seven medical students were randomly assigned to complete simulation exercises either as individuals or as members of three-person teams. Students interviewed, examined, and diagnosed VPs with possible CN damage in the Neurological Exam Rehearsal Virtual Environment (NERVE). Knowledge of CN abnormalities was assessed pre- and post-simulation. Student perspectives of system usability were evaluated post-simulation. Results An aptitude-treatment interaction (ATI) effect was detected; at pre-test scores ≤50%, students in teams scored higher (83%) at post-test than did students as individuals (62%, p = 0.02). Post-simulation, students in teams reported greater confidence in their ability to diagnose CN abnormalities than did students as individuals (p = 0.02; mean rating = 4.0/5.0 and 3.4/5.0, respectively). Conclusion The ATI effect allows us to begin defining best practices for the integration of VP simulators into the medical curriculum. We are persuaded to implement future NERVE exercises with small teams of medical students. PMID:22938679

SLiM 2: Flexible, Interactive Forward Genetic Simulations.

Science.gov (United States)

Haller, Benjamin C; Messer, Philipp W

2017-01-01

Modern population genomic datasets hold immense promise for revealing the evolutionary processes operating in natural populations, but a crucial prerequisite for this goal is the ability to model realistic evolutionary scenarios and predict their expected patterns in genomic data. To that end, we present SLiM 2: an evolutionary simulation framework that combines a powerful, fast engine for forward population genetic simulations with the capability of modeling a wide variety of complex evolutionary scenarios. SLiM achieves this flexibility through scriptability, which provides control over most aspects of the simulated evolutionary scenarios with a simple R-like scripting language called Eidos. An example SLiM simulation is presented to illustrate the power of this approach. SLiM 2 also includes a graphical user interface for simulation construction, interactive runtime control, and dynamic visualization of simulation output, facilitating easy and fast model development with quick prototyping and visual debugging. We conclude with a performance comparison between SLiM and two other popular forward genetic simulation packages. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A treecode to simulate dust-plasma interactions

Science.gov (United States)

Thomas, D. M.; Holgate, J. T.

2017-02-01

The interaction of a small object with surrounding plasma is an area of plasma-physics research with a multitude of applications. This paper introduces the plasma octree code pot, a microscopic simulator of a spheroidal dust grain in a plasma. pot uses the Barnes-Hut treecode algorithm to perform N-body simulations of electrons and ions in the vicinity of a chargeable spheroid, employing also the Boris particle-motion integrator and Hutchinson’s reinjection algorithm from SCEPTIC; a description of the implementation of all three algorithms is provided. We present results from pot simulations of the charging of spheres in magnetised plasmas, and of spheroids in unmagnetized plasmas. The results call into question the validity of using the Boltzmann relation in hybrid PIC codes. Substantial portions of this paper are adapted from chapters 4 and 5 of the first author’s recent PhD dissertation.

Interactive simulations as teaching tools for engineering mechanics courses

Science.gov (United States)

Carbonell, Victoria; Romero, Carlos; Martínez, Elvira; Flórez, Mercedes

2013-07-01

This study aimed to gauge the effect of interactive simulations in class as an active teaching strategy for a mechanics course. Engineering analysis and design often use the properties of planar sections in calculations. In the stress analysis of a beam under bending and torsional loads, cross-sectional properties are used to determine stress and displacement distributions in the beam cross section. The centroid, moments and products of inertia of an area made up of several common shapes (rectangles usually) may thus be obtained by adding the moments of inertia of the component areas (U-shape, L-shape, C-shape, etc). This procedure is used to calculate the second moments of structural shapes in engineering practice because the determination of their moments of inertia is necessary for the design of structural components. This paper presents examples of interactive simulations developed for teaching the ‘Mechanics and mechanisms’ course at the Universidad Politecnica de Madrid, Spain. The simulations focus on fundamental topics such as centroids, the properties of the moment of inertia, second moments of inertia with respect to two axes, principal moments of inertia and Mohr's Circle for plane stress, and were composed using Geogebra software. These learning tools feature animations, graphics and interactivity and were designed to encourage student participation and engagement in active learning activities, to effectively explain and illustrate course topics, and to build student problem-solving skills.

QuVis interactive simulations: tools to support quantum mechanics instruction

Science.gov (United States)

Kohnle, Antje

2015-04-01

Quantum mechanics holds a fascination for many students, but its mathematical complexity and counterintuitive results can present major barriers. The QuVis Quantum Mechanics Visualization Project (www.st-andrews.ac.uk/physics/quvis) aims to overcome these issues through the development and evaluation of interactive simulations with accompanying activities for the learning and teaching of quantum mechanics. Over 90 simulations are now available on the QuVis website. One collection of simulations is embedded in the Institute of Physics Quantum Physics website (quantumphysics.iop.org), which consists of freely available resources for an introductory course in quantum mechanics starting from two-level systems. Simulations support model-building by reducing complexity, focusing on fundamental ideas and making the invisible visible. They promote engaged exploration, sense-making and linking of multiple representations, and include high levels of interactivity and direct feedback. Simulations are research-based and evaluation with students informs all stages of the development process. Simulations are iteratively refined using student feedback in individual observation sessions and in-class trials. Evaluation has shown that the simulations can help students learn quantum mechanics concepts at both the introductory and advanced undergraduate level and that students perceive simulations to be beneficial to their learning. Recent activity includes the launch of a new collection of HTML5 simulations that run on both desktop and tablet-based devices and the introduction of a goal and reward structure in simulations through the inclusion of challenges. This presentation will give an overview of the QuVis resources, highlight recent work and outline future plans. QuVis is supported by the UK Institute of Physics, the UK Higher Education Academy and the University of St Andrews.

SIMUL - a program for the simulation of interactions in the streamer chamber RISK

International Nuclear Information System (INIS)

Friebel, W.; Gajewski, J.; Halm, I.

1976-08-01

A program for the simulation of interactions in the streamer chamber RISK is described. This program allows first investigations and tests for planning and preparing experiments. In the program the trajectories of all particles taking part in the interaction are computed. Selected points are projected onto film planes serving as measurement points for the use in the geometrical reconstruction. The program is used for testing a geometry program. But it also seems to be very helpful in investigating counter and trigger constellations and in the calculation of counting rates and trigger effectivities. (author)

Simulation of Guided Wave Interaction with In-Plane Fiber Waviness

Science.gov (United States)

Leckey, Cara A. C.; Juarez, Peter D.

2016-01-01

Reducing the timeline for certification of composite materials and enabling the expanded use of advanced composite materials for aerospace applications are two primary goals of NASA's Advanced Composites Project (ACP). A key a technical challenge area for accomplishing these goals is the development of rapid composite inspection methods with improved defect characterization capabilities. Ongoing work at NASA Langley is focused on expanding ultrasonic simulation capabilities for composite materials. Simulation tools can be used to guide the development of optimal inspection methods. Custom code based on elastodynamic finite integration technique is currently being developed and implemented to study ultrasonic wave interaction with manufacturing defects, such as in-plane fiber waviness (marcelling). This paper describes details of validation comparisons performed to enable simulation of guided wave propagation in composites containing fiber waviness. Simulation results for guided wave interaction with in-plane fiber waviness are also discussed. The results show that the wavefield is affected by the presence of waviness on both the surface containing fiber waviness, as well as the opposite surface to the location of waviness.

A Framework for the Interactive Handling of High-Dimensional Simulation Data in Complex Geometries

KAUST Repository

Benzina, Amal; Buse, Gerrit; Butnaru, Daniel; Murarasu, Alin; Treib, Marc; Varduhn, Vasco; Mundani, Ralf-Peter

2013-01-01

Flow simulations around building infrastructure models involve large scale complex geometries, which when discretized in adequate detail entail high computational cost. Moreover, tasks such as simulation insight by steering or optimization require many such costly simulations. In this paper, we illustrate the whole pipeline of an integrated solution for interactive computational steering, developed for complex flow simulation scenarios that depend on a moderate number of both geometric and physical parameters. A mesh generator takes building information model input data and outputs a valid cartesian discretization. A sparse-grids-based surrogate model—a less costly substitute for the parameterized simulation—uses precomputed data to deliver approximated simulation results at interactive rates. Furthermore, a distributed multi-display visualization environment shows building infrastructure together with flow data. The focus is set on scalability and intuitive user interaction.

Simulation of the interaction of positively charged beams and electron clouds

International Nuclear Information System (INIS)

Markovik, Aleksandar

2013-01-01

The incoherent (head-tail) effect on the bunch due to the interaction with electron clouds (e-clouds) leads to a blow up of the transverse beam size in storage rings operating with positively charged beams. Even more the e-cloud effects are considered to be the main limiting factor for high current, high-brightness or high-luminosity operation of future machines. Therefore the simulation of e-cloud phenomena is a highly active field of research. The main focus in this work was set to a development of a tool for simulation of the interaction of relativistic bunches with non-relativistic parasitic charged particles. The result is the Particle-In-Cell Program MOEVE PIC Tracking which can track a 3D bunch under the influence of its own and external electromagnetic fields but first and foremost it simulates the interaction of relativistic positively charged bunches and initially static electrons. In MOEVE PIC Tracking the conducting beam pipe can be modeled with an arbitrary elliptical cross-section to achieve more accurate space charge field computations for both the bunch and the e-cloud. The simulation of the interaction between positron bunches and electron clouds in this work gave a detailed insight of the behavior of both particle species during and after the interaction. Further and ultimate goal of this work was a fast estimation of the beam stability under the influence of e-clouds in the storage ring. The standard approach to simulate the stability of a single bunch is to track the bunch particles through the linear optics of the machine by multiplying the 6D vector of each particle with the transformation matrices describing the lattice. Thereby the action of the e-cloud on the bunch is approximated by a pre-computed wake kick which is applied on one or more points in the lattice. Following the idea of K.Ohmi the wake kick was pre-computed as a two variable function of the bunch part exiting the e-cloud and the subsequent parts of a bunch which receive a

Simulation of Fuzzy Adaptive PI Controlled Grid Interactive Inverter

Directory of Open Access Journals (Sweden)

Necmi ALTIN

2009-03-01

Full Text Available In this study, a voltage source grid interactive inverter is modeled and simulated in MATLAB/Simulink. Inverter is designed as current controlled and a fuzzy-PI current controller used for the generation of switching pattern to shape the inverter output current. The grid interactive inverter consists of a line frequency transformer and a LC type filter. Galvanic isolation between the grid and renewable energy source is obtained by the line frequency transformer and LC filter is employed to filter the high frequency harmonic components in current waveform due to PWM switching and to reduce the output current THD. Results of the MATLAB/Simulink simulation show that inverter output current is in sinusoidal waveform and in phase with line voltage, and current harmonics are in the limits of international standards (

Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

Science.gov (United States)

Ashbaugh, Henry S.; Liu, Lixin; Surampudi, Lalitanand N.

2011-08-01

Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.

Interactive Learning Environment: Web-based Virtual Hydrological Simulation System using Augmented and Immersive Reality

Science.gov (United States)

Demir, I.

2014-12-01

Recent developments in internet technologies make it possible to manage and visualize large data on the web. Novel visualization techniques and interactive user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The hydrological simulation system is a web-based 3D interactive learning environment for teaching hydrological processes and concepts. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create or load predefined scenarios, control environmental parameters, and evaluate environmental mitigation alternatives. The web-based simulation system provides an environment for students to learn about the hydrological processes (e.g. flooding and flood damage), and effects of development and human activity in the floodplain. The system utilizes latest web technologies and graphics processing unit (GPU) for water simulation and object collisions on the terrain. Users can access the system in three visualization modes including virtual reality, augmented reality, and immersive reality using heads-up display. The system provides various scenarios customized to fit the age and education level of various users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various visualization and interaction modes.

Interactive virtual simulation using a 3D computer graphics model for microvascular decompression surgery.

Science.gov (United States)

Oishi, Makoto; Fukuda, Masafumi; Hiraishi, Tetsuya; Yajima, Naoki; Sato, Yosuke; Fujii, Yukihiko

2012-09-01

The purpose of this paper is to report on the authors' advanced presurgical interactive virtual simulation technique using a 3D computer graphics model for microvascular decompression (MVD) surgery. The authors performed interactive virtual simulation prior to surgery in 26 patients with trigeminal neuralgia or hemifacial spasm. The 3D computer graphics models for interactive virtual simulation were composed of the brainstem, cerebellum, cranial nerves, vessels, and skull individually created by the image analysis, including segmentation, surface rendering, and data fusion for data collected by 3-T MRI and 64-row multidetector CT systems. Interactive virtual simulation was performed by employing novel computer-aided design software with manipulation of a haptic device to imitate the surgical procedures of bone drilling and retraction of the cerebellum. The findings were compared with intraoperative findings. In all patients, interactive virtual simulation provided detailed and realistic surgical perspectives, of sufficient quality, representing the lateral suboccipital route. The causes of trigeminal neuralgia or hemifacial spasm determined by observing 3D computer graphics models were concordant with those identified intraoperatively in 25 (96%) of 26 patients, which was a significantly higher rate than the 73% concordance rate (concordance in 19 of 26 patients) obtained by review of 2D images only (p computer graphics model provided a realistic environment for performing virtual simulations prior to MVD surgery and enabled us to ascertain complex microsurgical anatomy.

Introduction of Simulator-Based Examinations and its effects on the Nuclear Industry

International Nuclear Information System (INIS)

Gagne, Dan

1998-01-01

The Operator Certification Division of the Atomic Energy Control Board authorizes Control Room Operators and Shift Supervisors at nuclear power stations in Canada. In the past, this has been accomplished primarily by setting and grading written examinations and, from time to time, by administering ad hoc simulator based examinations. Since 1993, the AECB has implemented simulator based examinations as a key component of its authorization process. Prior to introducing this new regulatory examination, a great deal of work was done to develop a method where an objective marking scheme, based on generic performance expectations, could be used to determine whether the performance of a candidate is satisfactory. A working group of staff from Canadian nuclear stations and from the AECB worked for nearly two years to develop this examination method. The method was refined during a two year introductory period. The validity of the method was assessed independently by a consultant. This assessment contributed to the credibility of the method developed by the working group. What was not anticipated, however, was the impact that the implementation of such a systematic examination method would have on the stations. The assessments of candidates on the simulators has forced the stations to revise many aspects of their operation and training. This revision has resulted in the clarification of station performance expectations for Control Room Operators and Shift Supervisors and in improvements in many areas of station operation such as teamwork, operating procedures and communications. (author)

DSMC simulation and experimental validation of shock interaction in hypersonic low density flow.

Science.gov (United States)

Xiao, Hong; Shang, Yuhe; Wu, Di

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%.

Interactive simulations as teaching tools for engineering mechanics courses

International Nuclear Information System (INIS)

Carbonell, Victoria; Martínez, Elvira; Flórez, Mercedes; Romero, Carlos

2013-01-01

This study aimed to gauge the effect of interactive simulations in class as an active teaching strategy for a mechanics course. Engineering analysis and design often use the properties of planar sections in calculations. In the stress analysis of a beam under bending and torsional loads, cross-sectional properties are used to determine stress and displacement distributions in the beam cross section. The centroid, moments and products of inertia of an area made up of several common shapes (rectangles usually) may thus be obtained by adding the moments of inertia of the component areas (U-shape, L-shape, C-shape, etc). This procedure is used to calculate the second moments of structural shapes in engineering practice because the determination of their moments of inertia is necessary for the design of structural components. This paper presents examples of interactive simulations developed for teaching the ‘Mechanics and mechanisms’ course at the Universidad Politecnica de Madrid, Spain. The simulations focus on fundamental topics such as centroids, the properties of the moment of inertia, second moments of inertia with respect to two axes, principal moments of inertia and Mohr's Circle for plane stress, and were composed using Geogebra software. These learning tools feature animations, graphics and interactivity and were designed to encourage student participation and engagement in active learning activities, to effectively explain and illustrate course topics, and to build student problem-solving skills. (paper)

Interaction of Tenebrio Molitor Antifreeze Protein with Ice Crystal: Insights from Molecular Dynamics Simulations.

Science.gov (United States)

Ramya, L; Ramakrishnan, Vigneshwar

2016-07-01

Antifreeze proteins (AFP) observed in cold-adapting organisms bind to ice crystals and prevent further ice growth. However, the molecular mechanism of AFP-ice binding and AFP-inhibited ice growth remains unclear. Here we report the interaction of the insect antifreeze protein (Tenebrio molitor, TmAFP) with ice crystal by molecular dynamics simulation studies. Two sets of simulations were carried out at 263 K by placing the protein near the primary prism plane (PP) and basal plane (BL) of the ice crystal. To delineate the effect of temperatures, both the PP and BL simulations were carried out at 253 K as well. The analyses revealed that the protein interacts strongly with the ice crystal in BL simulation than in PP simulation both at 263 K and 253 K. Further, it was observed that the interactions are primarily mediated through the interface waters. We also observed that as the temperature decreases, the interaction between the protein and the ice increases which can be attributed to the decreased flexibility and the increased structuring of the protein at low temperature. In essence, our study has shed light on the interaction mechanism between the TmAFP antifreeze protein and the ice crystal. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Interactive Teaching System for Bond Graph Modeling and Simulation in Bioengineering

Science.gov (United States)

Roman, Monica; Popescu, Dorin; Selisteanu, Dan

2013-01-01

The objective of the present work was to implement a teaching system useful in modeling and simulation of biotechnological processes. The interactive system is based on applications developed using 20-sim modeling and simulation software environment. A procedure for the simulation of bioprocesses modeled by bond graphs is proposed and simulators…

Two dimensional simulation of high power laser-surface interaction

International Nuclear Information System (INIS)

Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P.; Busch, G.E.

1998-01-01

For laser intensities in the range of 10 8 --10 9 W/cm 2 , and pulse lengths of order 10 microsec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing

Statistical analysis of simulation calculation of sputtering for two interaction potentials

International Nuclear Information System (INIS)

Shao Qiyun

1992-01-01

The effects of the interaction potentials (Moliere potential and Universal potential) are presented on computer simulation results of sputtering via Monte Carlo simulation based on the binary collision approximation. By means of Wilcoxon two-Sample paired sign rank test, the statistically significant difference for the above results is obtained

Long-range interactions and parallel scalability in molecular simulations

NARCIS (Netherlands)

Patra, M.; Hyvönen, M.T.; Falck, E.; Sabouri-Ghomi, M.; Vattulainen, I.; Karttunen, M.E.J.

2007-01-01

Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modeling of such systems. We have employed the GROMACS simulation package to perform

Simulations of Shock Wave Interaction with a Particle Cloud

Science.gov (United States)

Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Annamalai, Subramanian; Balachandar, S.'Bala'

2016-11-01

Simulations of a shock wave interacting with a cloud of particles are performed in an attempt to understand similar phenomena observed in dispersal of solid particles under such extreme environment as an explosion. We conduct numerical experiments in which a particle curtain fills only 87% of the shock tube from bottom to top. As such, the particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In this study, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. In these simulations we use a Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. Measurements of particle dispersion are made at different initial volume fractions of the particle cloud. A detailed analysis of the evolution of the particle curtain with respect to the initial conditions is presented. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

Computer Networks E-learning Based on Interactive Simulations and SCORM

Directory of Open Access Journals (Sweden)

Francisco Andrés Candelas

2011-05-01

Full Text Available This paper introduces a new set of compact interactive simulations developed for the constructive learning of computer networks concepts. These simulations, which compose a virtual laboratory implemented as portable Java applets, have been created by combining EJS (Easy Java Simulations with the KivaNS API. Furthermore, in this work, the skills and motivation level acquired by the students are evaluated and measured when these simulations are combined with Moodle and SCORM (Sharable Content Object Reference Model documents. This study has been developed to improve and stimulate the autonomous constructive learning in addition to provide timetable flexibility for a Computer Networks subject.

Simulation of semi-artificial interaction events of cosmic radiation in the atmosphere

International Nuclear Information System (INIS)

Ferreira, L.C.A.

1986-01-01

A simulation of artifitial A-jets was performed, using the data of observed C-jets, aiming to study the atmospheric interactions. A comparative study on artifitial A-jets with observed A-jets, considering initially, only one interaction and then, introducing the possibility of successive interactions, is presented. A process denominated ''descascatizacao'' for one interaction stage is evaluated. (M.C.K.) [pt

Parallel Beam-Beam Simulation Incorporating Multiple Bunches and Multiple Interaction Regions

CERN Document Server

Jones, F W; Pieloni, T

2007-01-01

The simulation code COMBI has been developed to enable the study of coherent beam-beam effects in the full collision scenario of the LHC, with multiple bunches interacting at multiple crossing points over many turns. The program structure and input are conceived in a general way which allows arbitrary numbers and placements of bunches and interaction points (IP's), together with procedural options for head-on and parasitic collisions (in the strong-strong sense), beam transport, statistics gathering, harmonic analysis, and periodic output of simulation data. The scale of this problem, once we go beyond the simplest case of a pair of bunches interacting once per turn, quickly escalates into the parallel computing arena, and herein we will describe the construction of an MPI-based version of COMBI able to utilize arbitrary numbers of processors to support efficient calculation of multi-bunch multi-IP interactions and transport. Implementing the parallel version did not require extensive disruption of the basic ...

Computational simulations of the interaction of water waves with pitching flap-type ocean wave energy converters

Science.gov (United States)

Pathak, Ashish; Raessi, Mehdi

2016-11-01

Using an in-house computational framework, we have studied the interaction of water waves with pitching flap-type ocean wave energy converters (WECs). The computational framework solves the full 3D Navier-Stokes equations and captures important effects, including the fluid-solid interaction, the nonlinear and viscous effects. The results of the computational tool, is first compared against the experimental data on the response of a flap-type WEC in a wave tank, and excellent agreement is demonstrated. Further simulations at the model and prototype scales are presented to assess the validity of the Froude scaling. The simulations are used to address some important questions, such as the validity range of common WEC modeling approaches that rely heavily on the Froude scaling and the inviscid potential flow theory. Additionally, the simulations examine the role of the Keulegan-Carpenter (KC) number, which is often used as a measure of relative importance of viscous drag on bodies exposed to oscillating flows. The performance of the flap-type WECs is investigated at various KC numbers to establish the relationship between the viscous drag and KC number for such geometry. That is of significant importance because such relationship only exists for simple geometries, e.g., a cylinder. Support from the National Science Foundation is gratefully acknowledged.

An interactive beam line simulator module for RHIC

International Nuclear Information System (INIS)

MacKay, W.W.

1997-01-01

This paper describes the interactive simulation engine, bl, designed for the RHIC project. The program tracks as output to shared memory the central orbit, Twiss and dispersion functions, as well as the 6 x 6 beam hyperellipsoid. Transfer matrices between elements are available via interactive requests. Using a 6-d model, optical elements are modeled with a linear transfer matrix and a vector. The vector allows simulation of misalignments, shifts in field strengths, and beam rigidity. Currently only a linear model is used for elements. In addition to the usual magnets, a foil element is included which can shift the beam's rigidity (resulting from a change of charge and energy loss), as well as increase the momentum spread and emittance. Running as a Glish client, bl can be interfaced to other programs, such as an orbit plotter and a power supply application to give a quick prediction of the beam orbit from actual operating currents in the accelerator. Various strengths and offsets may be changed by sending Glish events to bl

The method research of the simulator training and examination of the nuclear electricity staff

International Nuclear Information System (INIS)

Huang Fangzhi; Zhang Yuanfang

1994-01-01

The simulator training and examination of nuclear power plant operator are of an important guarantee for the nuclear power plant operation safety. The authors introduce various training courses which have been held in the Nuclear Power Plant Simulation Training Center of Tsinghua University since 1988, and analyze the different requirements and features for different classes such as operator candidate training course, operator retraining course and nuclear and electricity staff course. The lesson arrangement, examination method and mark standard are presented, which is carried out in the Nuclear Power Plant Simulation Training Center of Tsinghua University

Modeling of fatigue crack induced nonlinear ultrasonics using a highly parallelized explicit local interaction simulation approach

Science.gov (United States)

Shen, Yanfeng; Cesnik, Carlos E. S.

2016-04-01

This paper presents a parallelized modeling technique for the efficient simulation of nonlinear ultrasonics introduced by the wave interaction with fatigue cracks. The elastodynamic wave equations with contact effects are formulated using an explicit Local Interaction Simulation Approach (LISA). The LISA formulation is extended to capture the contact-impact phenomena during the wave damage interaction based on the penalty method. A Coulomb friction model is integrated into the computation procedure to capture the stick-slip contact shear motion. The LISA procedure is coded using the Compute Unified Device Architecture (CUDA), which enables the highly parallelized supercomputing on powerful graphic cards. Both the explicit contact formulation and the parallel feature facilitates LISA's superb computational efficiency over the conventional finite element method (FEM). The theoretical formulations based on the penalty method is introduced and a guideline for the proper choice of the contact stiffness is given. The convergence behavior of the solution under various contact stiffness values is examined. A numerical benchmark problem is used to investigate the new LISA formulation and results are compared with a conventional contact finite element solution. Various nonlinear ultrasonic phenomena are successfully captured using this contact LISA formulation, including the generation of nonlinear higher harmonic responses. Nonlinear mode conversion of guided waves at fatigue cracks is also studied.

Interactive use of simulation models for collaborative knowledge construction: the case of flood policy decision-making

NARCIS (Netherlands)

Leskens, Anne

2015-01-01

There is an increasing use of interactive flood simulation models in work sessions with practitioners, which is supposed to be more effective than feeding static model results from conventional simulation models into the decision-making process. These interactive simulation models rely on fast and

Multi-scale simulation of droplet-droplet interactions and coalescence

CSIR Research Space (South Africa)

Musehane, Ndivhuwo M

2016-10-01

Full Text Available Conference on Computational and Applied Mechanics Potchefstroom 3–5 October 2016 Multi-scale simulation of droplet-droplet interactions and coalescence 1,2Ndivhuwo M. Musehane?, 1Oliver F. Oxtoby and 2Daya B. Reddy 1. Aeronautic Systems, Council... topology changes that result when droplets interact. This work endeavours to eliminate the need to use empirical correlations based on phenomenological models by developing a multi-scale model that predicts the outcome of a collision between droplets from...

Monte Carlo simulations of interacting particle mixtures in ratchet potentials

International Nuclear Information System (INIS)

Fendrik, A J; Romanelli, L

2012-01-01

There are different models of devices for achieving a separation of mixtures of particles by using the ratchet effect. On the other hand, it has been proposed that one could also control the separation by means of appropriate interactions. Through Monte Carlo simulations, we show that inclusion of simple interactions leads to a decrease of the ratchet effect and therefore also a separation of the mixtures.

Asymptotic analysis, direct numerical simulation and modeling of premixed turbulent flame-wall interaction; Etude asymptotique, simulation numerique directe et modelisation de l`interaction flamme turbulente premelangee-paroi

Energy Technology Data Exchange (ETDEWEB)

Bruneaux, G.

1996-05-20

Premixed turbulent flame-wall interaction is studied using theoretical and numerical analysis. Laminar interactions are first investigated through a literature review. This gives a characterization of the different configurations of interaction and justifies the use of simplified kinetic schemes to study the interaction. Calculations are then performed using Direct Numerical Simulation with a one-step chemistry model, and are compared with good agreements to asymptotic analysis. Flame-wall distances and wall heat fluxes obtained are compared successfully with those of the literature. Heat losses decrease the consumption rate, leading to extinction at the maximum of wall heat flux. It is followed by a flame retreat, when the fuel diffuses into the reaction zone, resulting in low unburnt hydrocarbon levels. Then, turbulent regime is investigated, using two types of Direct Numerical Simulations: 2D variable density and 3D constant density. Similar results are obtained: the local turbulent flame behavior is identical to a laminar interaction, and tongues of fresh gases are expelled from the wall region, near zones of quenching. In the 2D simulations, minimal flame-wall distances and maximum wall heat fluxes are similar to laminar values. However, the structure of the turbulence in the 3D calculations induces smaller flame-wall distances and higher wall heat fluxes. Finally, a flame-wall interaction model is built and validated. It uses the flamelet approach, where the flame is described in terms of consumption speed and flame surface density. This model is simplified to produce a law of the wall, which is then included in a averaged CFD code (Kiva2-MB). It is validated in an engine calculation. (author) 36 refs.

Methods for simulation-based analysis of fluid-structure interaction.

Energy Technology Data Exchange (ETDEWEB)

Barone, Matthew Franklin; Payne, Jeffrey L.

2005-10-01

Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonal decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.

A limited assessment of the ASEP human reliability analysis procedure using simulator examination results

International Nuclear Information System (INIS)

Gore, B.R.; Dukelow, J.S. Jr.; Mitts, T.M.; Nicholson, W.L.

1995-10-01

This report presents a limited assessment of the conservatism of the Accident Sequence Evaluation Program (ASEP) human reliability analysis (HRA) procedure described in NUREG/CR-4772. In particular, the, ASEP post-accident, post-diagnosis, nominal HRA procedure is assessed within the context of an individual's performance of critical tasks on the simulator portion of requalification examinations administered to nuclear power plant operators. An assessment of the degree to which operator perforn:Lance during simulator examinations is an accurate reflection of operator performance during actual accident conditions was outside the scope of work for this project; therefore, no direct inference can be made from this report about such performance. The data for this study are derived from simulator examination reports from the NRC requalification examination cycle. A total of 4071 critical tasks were identified, of which 45 had been failed. The ASEP procedure was used to estimate human error probability (HEP) values for critical tasks, and the HEP results were compared with the failure rates observed in the examinations. The ASEP procedure was applied by PNL operator license examiners who supplemented the limited information in the examination reports with expert judgment based upon their extensive simulator examination experience. ASEP analyses were performed for a sample of 162 critical tasks selected randomly from the 4071, and the results were used to characterize the entire population. ASEP analyses were also performed for all of the 45 failed critical tasks. Two tests were performed to assess the bias of the ASEP HEPs compared with the data from the requalification examinations. The first compared the average of the ASEP HEP values with the fraction of the population actually failed and it found a statistically significant factor of two bias on the average

WinGraphics: An optimized windowing environment for interactive real-time simulations

International Nuclear Information System (INIS)

Verboncoeur, J.P.; Vahedi, V.

1989-01-01

We have developed a customized windowing environment, Win Graphics, which provides particle simulation codes with an interactive user interface. The environment supports real-time animation of the simulation, displaying multiple diagnostics as they evolve in time. In addition, keyboard and printer (PostScript and dot matrix) support is provided. This paper describes this environment

Simulation of isothermal multi-phase fuel-coolant interaction using MPS method with GPU acceleration

Energy Technology Data Exchange (ETDEWEB)

Gou, W.; Zhang, S.; Zheng, Y. [Zhejiang Univ., Hangzhou (China). Center for Engineering and Scientific Computation

2016-07-15

The energetic fuel-coolant interaction (FCI) has been one of the primary safety concerns in nuclear power plants. Graphical processing unit (GPU) implementation of the moving particle semi-implicit (MPS) method is presented and used to simulate the fuel coolant interaction problem. The governing equations are discretized with the particle interaction model of MPS. Detailed implementation on single-GPU is introduced. The three-dimensional broken dam is simulated to verify the developed GPU acceleration MPS method. The proposed GPU acceleration algorithm and developed code are then used to simulate the FCI problem. As a summary of results, the developed GPU-MPS method showed a good agreement with the experimental observation and theoretical prediction.

Do Interracial Interactions Matter? An Examination of Student-Faculty Contact and Intellectual Self-Concept

Science.gov (United States)

Cole, Darnell

2007-01-01

The purpose of this longitudinal, multi-institution study was to examine through multilevel analyses the influence of: (1) interracial interactions on student-faculty interactions; and (2) interracial interactions and student-faculty interactions on intellectual self-concept. Social participation and involvement theory, as they are constructed…

Simulation of intense short-pulse laser-plasma interaction

International Nuclear Information System (INIS)

Yamagiwa, Mitsuru

2000-01-01

We have completed the massive parallelization of a 2-dimensional giga-particle code and have achieved a 530-fold acceleration rate with 512 processing elements (PE's). Using this we have implemented a simulation of the interaction of a solid thin film and a high intensity laser and have discovered a phenomenon in which high quality short pulses from the far ultraviolet to soft X-rays are generated at the back surface of the thin layer. We have also introduced the atomic process database code (Hullac) and have the possibility for high precision simulations of X-ray laser radiation. With respect to laser acceleration we have the possibility to quantitatively evaluate relativistic self-focusing assumed to occur in higher intensity fields. Ion acceleration from a solid target and an underdense plasma irradiated by an intense and an ultra intense laser, respectively, has also been studied by particle-in-cell (PIC) simulations. (author)

Building interactive simulations in a Web page design program.

Science.gov (United States)

Kootsey, J Mailen; Siriphongs, Daniel; McAuley, Grant

2004-01-01

A new Web software architecture, NumberLinX (NLX), has been integrated into a commercial Web design program to produce a drag-and-drop environment for building interactive simulations. NLX is a library of reusable objects written in Java, including input, output, calculation, and control objects. The NLX objects were added to the palette of available objects in the Web design program to be selected and dropped on a page. Inserting an object in a Web page is accomplished by adding a template block of HTML code to the page file. HTML parameters in the block must be set to user-supplied values, so the HTML code is generated dynamically, based on user entries in a popup form. Implementing the object inspector for each object permits the user to edit object attributes in a form window. Except for model definition, the combination of the NLX architecture and the Web design program permits construction of interactive simulation pages without writing or inspecting code.

Simulating the Interactions Among Land Use, Transportation ...

Science.gov (United States)

In most transportation studies, computer models that forecast travel behavior statistics for a future year use static projections of the spatial distribution of future population and employment growth as inputs. As a result, they are unable to account for the temporally dynamic and non-linear interactions among transportation, land use, and socioeconomic systems. System dynamics (SD) provides a common framework for modeling the complex interactions among transportation and other related systems. This study uses a SD model to simulate the cascading impacts of a proposed light rail transit (LRT) system in central North Carolina, USA. The Durham-Orange Light Rail Project (D-O LRP) SD model incorporates relationships among the land use, transportation, and economy sectors to simulate the complex feedbacks that give rise to the travel behavior changes forecasted by the region’s transportation model. This paper demonstrates the sensitivity of changes in travel behavior to the proposed LRT system and the assumptions that went into the transportation modeling, and compares those results to the impacts of an alternative fare-free transit system. SD models such as the D-O LRP SD model can complement transportation studies by providing valuable insight into the interdependent community systems that collectively contribute to travel behavior changes. Presented at the 35th International Conference of the System Dynamics Society in Cambridge, MA, July 18th, 2017

Neurosurgery simulation using non-linear finite element modeling and haptic interaction

Science.gov (United States)

Lee, Huai-Ping; Audette, Michel; Joldes, Grand R.; Enquobahrie, Andinet

2012-02-01

Real-time surgical simulation is becoming an important component of surgical training. To meet the realtime requirement, however, the accuracy of the biomechancial modeling of soft tissue is often compromised due to computing resource constraints. Furthermore, haptic integration presents an additional challenge with its requirement for a high update rate. As a result, most real-time surgical simulation systems employ a linear elasticity model, simplified numerical methods such as the boundary element method or spring-particle systems, and coarse volumetric meshes. However, these systems are not clinically realistic. We present here an ongoing work aimed at developing an efficient and physically realistic neurosurgery simulator using a non-linear finite element method (FEM) with haptic interaction. Real-time finite element analysis is achieved by utilizing the total Lagrangian explicit dynamic (TLED) formulation and GPU acceleration of per-node and per-element operations. We employ a virtual coupling method for separating deformable body simulation and collision detection from haptic rendering, which needs to be updated at a much higher rate than the visual simulation. The system provides accurate biomechancial modeling of soft tissue while retaining a real-time performance with haptic interaction. However, our experiments showed that the stability of the simulator depends heavily on the material property of the tissue and the speed of colliding objects. Hence, additional efforts including dynamic relaxation are required to improve the stability of the system.

Modelling phosphorus (P), sulphur (S) and iron (Fe) interactions during the simulation of anaerobic digestion processes

DEFF Research Database (Denmark)

Flores-Alsina, Xavier; Solon, Kimberly; Kazadi-Mbamba, Christian

2015-01-01

This paper examines the effects of different model formulations when describing sludge stabilization processes in wastewater treatment plants by the Anaerobic Digestion Model No. 1 (ADM1). The proposed model extensions describe the interactions amongst phosphorus (P), sulfur (S), iron (Fe......) and their potential effect on total biogas production (CO2, CH4, H2 and H2S). The ADM1 version, implemented in the plant-wide context provided by the Benchmark Simulation Model No. 2 (BSM2), is used as the basic platform (A0). Four (A1 – A4) different model extensions are implemented, simulated and evaluated......2) as the electron donor. Finally, the last evaluated approach (A4) is based on accounting for Multiple Mineral Precipitation. The ADM1 thereby switches from a 2-phase (aqueous-gas) to a 3-phase (aqueous-gas-solid) system. Simulation results show that the implementations of A1 and A2 lead...

Developing Models for Embodied Learning with Live Interactive Simulations

DEFF Research Database (Denmark)

Gjedde, Lisa

2014-01-01

Live simulations may offer a natural form of multimodal learning through embodied action, which can be engaging to a variety of learners and provide a platform for inclusion of special needs learners across the classroom. In this approach to interactive learning, the subject matter is embedded...... learning design is available that provides for interactive and embodied learning, which appeals to the segment of boys that are often difficult to motivate with ordinary uni-modal teaching methods. The paper will present preliminary results from an action research project carried out in collaboration...

Simulating Social Networks of Online Communities: Simulation as a Method for Sociability Design

Science.gov (United States)

Ang, Chee Siang; Zaphiris, Panayiotis

We propose the use of social simulations to study and support the design of online communities. In this paper, we developed an Agent-Based Model (ABM) to simulate and study the formation of social networks in a Massively Multiplayer Online Role Playing Game (MMORPG) guild community. We first analyzed the activities and the social network (who-interacts-with-whom) of an existing guild community to identify its interaction patterns and characteristics. Then, based on the empirical results, we derived and formalized the interaction rules, which were implemented in our simulation. Using the simulation, we reproduced the observed social network of the guild community as a means of validation. The simulation was then used to examine how various parameters of the community (e.g. the level of activity, the number of neighbors of each agent, etc) could potentially influence the characteristic of the social networks.

PPC - an interactive preprocessor/compiler for the DSNP simulation language

International Nuclear Information System (INIS)

Mahannah, J.A.; Schor, A.L.

1986-01-01

The PPC preprocessor/compiler was developed for the dynamic simulator for nuclear power plant DSNP simulation language. The goal of PPC is to provide an easy-to-use, interactive programming environment that will aid both the beginner and well-seasoned DSNP programmer. PPC simplifies the steps of the simulation development process for any user. All will benefit from the on-line help facilities, easy manipulation of modules, the elimination of syntax errors, and the general systematic approach. PPC is a very structured and modular program that allows for easy expansion and modification. Written entirely in C, it is fast, compact, and portable. Used as a front end, it greatly enhances the DSNP desirability as a simulation tool for education and research

Fluid-structure interaction modeling of wind turbines: simulating the full machine

Science.gov (United States)

Hsu, Ming-Chen; Bazilevs, Yuri

2012-12-01

In this paper we present our aerodynamics and fluid-structure interaction (FSI) computational techniques that enable dynamic, fully coupled, 3D FSI simulation of wind turbines at full scale, and in the presence of the nacelle and tower (i.e., simulation of the "full machine"). For the interaction of wind and flexible blades we employ a nonmatching interface discretization approach, where the aerodynamics is computed using a low-order finite-element-based ALE-VMS technique, while the rotor blades are modeled as thin composite shells discretized using NURBS-based isogeometric analysis (IGA). We find that coupling FEM and IGA in this manner gives a good combination of efficiency, accuracy, and flexibility of the computational procedures for wind turbine FSI. The interaction between the rotor and tower is handled using a non-overlapping sliding-interface approach, where both moving- and stationary-domain formulations of aerodynamics are employed. At the fluid-structure and sliding interfaces, the kinematic and traction continuity is enforced weakly, which is a key ingredient of the proposed numerical methodology. We present several simulations of a three-blade 5~MW wind turbine, with and without the tower. We find that, in the case of no tower, the presence of the sliding interface has no effect on the prediction of aerodynamic loads on the rotor. From this we conclude that weak enforcement of the kinematics gives just as accurate results as the strong enforcement, and thus enables the simulation of rotor-tower interaction (as well as other applications involving mechanical components in relative motion). We also find that the blade passing the tower produces a 10-12 % drop (per blade) in the aerodynamic torque. We feel this finding may be important when it comes to the fatigue-life analysis and prediction for wind turbine blades.

Student Engagement with a Science Simulation: Aspects that Matter

Directory of Open Access Journals (Sweden)

Susan Rodrigues

2011-01-01

Full Text Available It is argued that multimedia technology affords an opportunity to better visualise complex relationships often seen in chemistry. This paper describes the influence of chemistry simulation design facets on user progress through a simulation. Three versions of an acid-base titration simulation were randomly allocated to 36 volunteers to examine their interactions with the simulation. The impact of design alterations on the total number of interactions and their patterns was analysed for the following factors: (a the place of a feature on the screen, (b alignment of the sequence of instructions, (c additional instruction before the simulation, (d interactivity of a feature. Additionally, interactions between individual factors, such as age, prior experience with science simulations and computer games, perception of the difficulty of science simulations, and general subject knowledge, on one hand, and the efficiency of using the simulation, on the other hand, were examined. The findings suggestthat: (a centrality of the position of an element significantly affects the number of interactions with the element, (b re-arranging the sequence of instructions on the screen in left-to-right order improves the following of instructions, (c providing users with additional written advice to follow numbered instructions does not have a significant impact on student behaviour, (d interactivity of a feature was found to have a strong positive correlation with the number of interactions with that feature, which warrants a caution about unnecessary interactivity that may hinder simulation efficiency. Surprisingly, neither prior knowledge of chemistry nor theage of the participants had a significant effect on either the number of interactions or the ability to follow on-screen instructions.

Design and simulation of a sub-terahertz folded-waveguide extended interaction oscillator

Science.gov (United States)

Liu, Wenxin; Zhang, Zhaochuan; Zhao, Chao; Guo, Xin; Liao, Suying

2017-06-01

In this paper, an interesting type of a two-section folded wave-guide (TSFW) slow wave structure (SWS) for the development of sub-Terahertz (sub-THz) extended interaction oscillator (EIO) is proposed. In this sub-THz device, the prebunching electron beam is produced by the TSFW SWS, which results in the enhancement of the output power. To verify this concept, the TSFW for sub-THz EIO is developed, which includes the design, simulation, and some fabrications. A small size of electron optics system (EOS), the TSFW SWS for beam-wave interactions, and the output structure are studied with simulations. Through the codes Egun and Superfish, the EOS is designed and optimized. With a help of CST studio and 3D particle-in-cell (PIC) simulation CHIPIC, the characteristics of beam-wave interaction generated by the TSFW are studied. The results of PIC simulation show that the output power is remarkably enhanced by a factor of 3, which exceeds 200 W at the frequency of 108 GHz. Based on the optimum parameters, the TSFW is manufactured with a high speed numerical mill, and the test transmission characteristic |S21| is 13 dB. At last, the output structure with a pill-box window is optimized, fabricated, integrated, and tested, and the result shows that the voltage standing-wave ratio of the window is about 2.2 at an operating frequency of 108 GHz. This design and simulation can provide an effective method to develop high power THz sources.

An interactive simulation-based education system for BWR emergency, procedure guidelines

Energy Technology Data Exchange (ETDEWEB)

Tanikawa, Naoshi; Shida, Touichi [Hitachi Ltd (Japan). Hitachi Works; Ujita, Hiroshi; Yokota, Takeshi; Kato, Kanji [Hitachi Ltd, (Japan). Energy Research Lab.

1994-12-31

When applying EPGs (Emergency Procedure Guidelines), an operator decides the operational procedure by predicting the change of parameters from the plant status, because EPGs are described in a symptom style for emergency conditions. Technical knowledge of the plant behavior and its operation are necessary for operator to understand the EPGs. An interactive simulation-based education system, EPG-ICAI (Intelligent Computer Assisted Instruction), has been developed for BWR plant operators to acquire the knowledge of EPGs. EPG-ICAI is designed to realize an effective education by the step-by-step study by using an interactive real time simulator and an individual education by applying an intelligent tutoring function. (orig.) (2 refs., 7 figs., 1 tab.).

An interactive simulation-based education system for BWR emergency, procedure guidelines

International Nuclear Information System (INIS)

Tanikawa, Naoshi; Shida, Touichi; Ujita, Hiroshi; Yokota, Takeshi; Kato, Kanji

1994-01-01

When applying EPGs (Emergency Procedure Guidelines), an operator decides the operational procedure by predicting the change of parameters from the plant status, because EPGs are described in a symptom style for emergency conditions. Technical knowledge of the plant behavior and its operation are necessary for operator to understand the EPGs. An interactive simulation-based education system, EPG-ICAI (Intelligent Computer Assisted Instruction), has been developed for BWR plant operators to acquire the knowledge of EPGs. EPG-ICAI is designed to realize an effective education by the step-by-step study by using an interactive real time simulator and an individual education by applying an intelligent tutoring function. (orig.) (2 refs., 7 figs., 1 tab.)

Simulation of the interaction between uranium dioxide and zircaloy

International Nuclear Information System (INIS)

Denis, A.; Garcia, E.A.

1984-01-01

The code solves the oxygen diffusion equations of the five phases formed during the UO 2 /Zircaloy interaction, using an implicit finite difference method with parabolic interpolation at the interfaces. Uranium and Zirconium mass conservation are considered. The code gives a good simulation of the experimental results for isothermal conditions. (orig.)

Two dimensional simulation of ion beam-plasm interaction | Echi ...

African Journals Online (AJOL)

Hybrid plasma simulation is a model in which different components of the plasma are treated differently. In this work the ions are treated as particles while the electrons are treated as a neutralizing background fluid through which electric signals may propagate. Deuterium ion beams incident on the tritium plasma interact ...

Simulation Performance and National Council Licensure Examination for Registered Nurses Outcomes: Field Research Perspectives.

Science.gov (United States)

Brackney, Dana E; Lane, Susan Hayes; Dawson, Tyia; Koontz, Angie

2017-11-01

This descriptive field study examines processes used to evaluate simulation for senior-level Bachelor of Science in Nursing (BSN) students in a capstone course, discusses challenges related to simulation evaluation, and reports the relationship between faculty evaluation of student performance and National Council Licensure Examination for Registered Nurses (NCLEX-RN) first-time passing rates. Researchers applied seven terms used to rank BSN student performance (n = 41, female, ages 22-24 years) in a senior-level capstone simulation. Faculty evaluation was correlated with students' NCLEX-RN outcomes. Students evaluated as "lacking confidence" and "flawed" were less likely to pass the NCLEX-RN on the first attempt. Faculty evaluation of capstone simulation performance provided additional evidence of student preparedness for practice in the RN role, as evidenced by the relationship between the faculty assessment and NCLEX-RN success. Simulation has been broadly accepted as a powerful educational tool that may also contribute to verification of student achievement of program outcomes and readiness for the RN role.

DYNECHARM++: a toolkit to simulate coherent interactions of high-energy charged particles in complex structures

Science.gov (United States)

Bagli, Enrico; Guidi, Vincenzo

2013-08-01

A toolkit for the simulation of coherent interactions between high-energy charged particles and complex crystal structures, called DYNECHARM++ has been developed. The code has been written in C++ language taking advantage of this object-oriented programing method. The code is capable to evaluating the electrical characteristics of complex atomic structures and to simulate and track the particle trajectory within them. Calculation method of electrical characteristics based on their expansion in Fourier series has been adopted. Two different approaches to simulate the interaction have been adopted, relying on the full integration of particle trajectories under the continuum potential approximation and on the definition of cross-sections of coherent processes. Finally, the code has proved to reproduce experimental results and to simulate interaction of charged particles with complex structures.

Molecular dynamics simulations revealed structural differences among WRKY domain-DNA interaction in barley (Hordeum vulgare).

Science.gov (United States)

Pandey, Bharati; Grover, Abhinav; Sharma, Pradeep

2018-02-12

The WRKY transcription factors are a class of DNA-binding proteins involved in diverse plant processes play critical roles in response to abiotic and biotic stresses. Genome-wide divergence analysis of WRKY gene family in Hordeum vulgare provided a framework for molecular evolution and functional roles. So far, the crystal structure of WRKY from barley has not been resolved; moreover, knowledge of the three-dimensional structure of WRKY domain is pre-requisites for exploring the protein-DNA recognition mechanisms. Homology modelling based approach was used to generate structures for WRKY DNA binding domain (DBD) and its variants using AtWRKY1 as a template. Finally, the stability and conformational changes of the generated model in unbound and bound form was examined through atomistic molecular dynamics (MD) simulations for 100 ns time period. In this study, we investigated the comparative binding pattern of WRKY domain and its variants with W-box cis-regulatory element using molecular docking and dynamics (MD) simulations assays. The atomic insight into WRKY domain exhibited significant variation in the intermolecular hydrogen bonding pattern, leading to the structural anomalies in the variant type and differences in the DNA-binding specificities. Based on the MD analysis, residual contribution and interaction contour, wild-type WRKY (HvWRKY46) were found to interact with DNA through highly conserved heptapeptide in the pre- and post-MD simulated complexes, whereas heptapeptide interaction with DNA was missing in variants (I and II) in post-MD complexes. Consequently, through principal component analysis, wild-type WRKY was also found to be more stable by obscuring a reduced conformational space than the variant I (HvWRKY34). Lastly, high binding free energy for wild-type and variant II allowed us to conclude that wild-type WRKY-DNA complex was more stable relative to variants I. The results of our study revealed complete dynamic and structural information

Interactive Web-based Floodplain Simulation System for Realistic Experiments of Flooding and Flood Damage

Science.gov (United States)

Demir, I.

2013-12-01

Recent developments in web technologies make it easy to manage and visualize large data sets with general public. Novel visualization techniques and dynamic user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The floodplain simulation system is a web-based 3D interactive flood simulation environment to create real world flooding scenarios. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create and modify predefined scenarios, control environmental parameters, and evaluate flood mitigation techniques. The web-based simulation system provides an environment to children and adults learn about the flooding, flood damage, and effects of development and human activity in the floodplain. The system provides various scenarios customized to fit the age and education level of the users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various flooding and land use scenarios.

Monte Carlo simulation of the interaction of X-ray spectrum with human tissue, in the energies range of diagnostic radiology

International Nuclear Information System (INIS)

Cayllahua Q, L. F.; Apaza V, G.; Vega R, J. L.

2015-10-01

Full text: This paper is an approach to an increasingly complete knowledge about the nature of the processes that occur during a simple examination of radiological diagnosis; know as X-rays are produced and how they will put their energy into the tissue of patients when they are subjected to an examination of radiological diagnosis. First, using the MCNP code an X-rays tube was simulated, where electrons are emitted from a filament (cathode) which travel a certain distance with a certain kinetic energy and then be stopped suddenly in the tungsten target. The X-rays emitted as a result of this interaction, are previously filtered through the inherent filter of Pyrex glass and then by a thin aluminum foil before quantification as an X-rays spectrum. 6 spectra (for 60, 80, 100, 120 and 140 KeV) were obtained. Second, using the Penelope code was simulated the interaction of the X-rays spectrum, obtained in the first part with human tissue, putting as simile of human tissue water phantoms of different thicknesses. As final result: dose of energy deposited (in 2 and 3-dimensional) and reflected, absorbed and transmitted photons spectra. (Author)

Molecular dynamics simulations of matrix assisted laser desorption ionization: Matrix-analyte interactions

International Nuclear Information System (INIS)

Nangia, Shivangi; Garrison, Barbara J.

2011-01-01

There is synergy between matrix assisted laser desorption ionization (MALDI) experiments and molecular dynamics (MD) simulations. To understand analyte ejection from the matrix, MD simulations have been employed. Prior calculations show that the ejected analyte molecules remain solvated by the matrix molecules in the ablated plume. In contrast, the experimental data show free analyte ions. The main idea of this work is that analyte molecule ejection may depend on the microscopic details of analyte interaction with the matrix. Intermolecular matrix-analyte interactions have been studied by focusing on 2,5-dihydroxybenzoic acid (DHB; matrix) and amino acids (AA; analyte) using Chemistry at HARvard Molecular Mechanics (CHARMM) force field. A series of AA molecules have been studied to analyze the DHB-AA interaction. A relative scale of AA molecule affinity towards DHB has been developed.

Simbuca, using a graphics card to simulate Coulomb interactions in a penning trap

CERN Document Server

Van Gorp, S; Friedag, P; De Leebeeck, V; Tandecki, M; Weinheimer, C; Breitenfeldt, M; Traykov, E; Severijn, N; Mader, J; Soti, G; Iitaka, T; Herlert, A; Wauters, F; Zakoucky, D; Kozlov, V; Roccia, S

2011-01-01

In almost all cases, N-body simulations are limited by the computation time available. Coulomb interaction calculations scale with O(N(2)) with N the number of particles. Approximation methods exist already to reduce the computation time to O(NlogN) although calculating the interaction still dominates the total simulation time. We present Simbuca, a simulation package for thousands of ions moving in a Penning trap which will be applied for the WITCH experiment. Simbuca uses the output of the Cunbody-1 library, which calculates the gravitational interaction between entities on a graphics card, and adapts it for Coulomb calculations. Furthermore the program incorporates three realistic buffer gas models, the possibility of importing realistic electric and magnetic fieldmaps and different order integrators with adaptive step size and error control. The software is released under the GNU General Public License and free for use. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

Getting the ion-protein interactions right in molecular dynamics simulations

Czech Academy of Sciences Publication Activity Database

Duboué-Dijon, Elise; Mason, Philip E.; Jungwirth, Pavel

2017-01-01

Roč. 46, Suppl 1 (2017), S66 ISSN 0175-7571. [IUPAB congress /19./ and EBSA congress /11./. 16.07.2017-20.07.2017, Edinburgh] Institutional support: RVO:61388963 Keywords : ion-protein interaction * molecular dynamics simulations * neutron scattering * insulin Subject RIV: BO - Biophysics

Exploring Biomolecular Interactions Through Single-Molecule Force Spectroscopy and Computational Simulation

OpenAIRE

Yang, Darren

2016-01-01

Molecular interactions between cellular components such as proteins and nucleic acids govern the fundamental processes of living systems. Technological advancements in the past decade have allowed the characterization of these molecular interactions at the single-molecule level with high temporal and spatial resolution. Simultaneously, progress in computer simulation has enabled theoretical research at the atomistic level, assisting in the interpretation of experimental results. This thesi...

Prediction of drug-packaging interactions via molecular dynamics (MD) simulations.

Science.gov (United States)

Feenstra, Peter; Brunsteiner, Michael; Khinast, Johannes

2012-07-15

The interaction between packaging materials and drug products is an important issue for the pharmaceutical industry, since during manufacturing, processing and storage a drug product is continuously exposed to various packaging materials. The experimental investigation of a great variety of different packaging material-drug product combinations in terms of efficacy and safety can be a costly and time-consuming task. In our work we used molecular dynamics (MD) simulations in order to evaluate the applicability of such methods to pre-screening of the packaging material-solute compatibility. The solvation free energy and the free energy of adsorption of diverse solute/solvent/solid systems were estimated. The results of our simulations agree with experimental values previously published in the literature, which indicates that the methods in question can be used to semi-quantitatively reproduce the solid-liquid interactions of the investigated systems. Copyright © 2012 Elsevier B.V. All rights reserved.

Prospective randomized study of contrast reaction management curricula: Computer-based interactive simulation versus high-fidelity hands-on simulation

Energy Technology Data Exchange (ETDEWEB)

Wang, Carolyn L., E-mail: wangcl@uw.edu [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States); Schopp, Jennifer G.; Kani, Kimia [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States); Petscavage-Thomas, Jonelle M. [Penn State Hershey Medical Center, Department of Radiology, 500 University Drive, Hershey, PA 17033 (United States); Zaidi, Sadaf; Hippe, Dan S.; Paladin, Angelisa M.; Bush, William H. [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States)

2013-12-01

Purpose: We developed a computer-based interactive simulation program for teaching contrast reaction management to radiology trainees and compared its effectiveness to high-fidelity hands-on simulation training. Materials and methods: IRB approved HIPAA compliant prospective study of 44 radiology residents, fellows and faculty who were randomized into either the high-fidelity hands-on simulation group or computer-based simulation group. All participants took separate written tests prior to and immediately after their intervention. Four months later participants took a delayed written test and a hands-on high-fidelity severe contrast reaction scenario performance test graded on predefined critical actions. Results: There was no statistically significant difference between the computer and hands-on groups’ written pretest, immediate post-test, or delayed post-test scores (p > 0.6 for all). Both groups’ scores improved immediately following the intervention (p < 0.001). The delayed test scores 4 months later were still significantly higher than the pre-test scores (p ≤ 0.02). The computer group's performance was similar to the hands-on group on the severe contrast reaction simulation scenario test (p = 0.7). There were also no significant differences between the computer and hands-on groups in performance on the individual core competencies of contrast reaction management during the contrast reaction scenario. Conclusion: It is feasible to develop a computer-based interactive simulation program to teach contrast reaction management. Trainees that underwent computer-based simulation training scored similarly on written tests and on a hands-on high-fidelity severe contrast reaction scenario performance test as those trained with hands-on high-fidelity simulation.

Prospective randomized study of contrast reaction management curricula: Computer-based interactive simulation versus high-fidelity hands-on simulation

International Nuclear Information System (INIS)

Wang, Carolyn L.; Schopp, Jennifer G.; Kani, Kimia; Petscavage-Thomas, Jonelle M.; Zaidi, Sadaf; Hippe, Dan S.; Paladin, Angelisa M.; Bush, William H.

2013-01-01

Purpose: We developed a computer-based interactive simulation program for teaching contrast reaction management to radiology trainees and compared its effectiveness to high-fidelity hands-on simulation training. Materials and methods: IRB approved HIPAA compliant prospective study of 44 radiology residents, fellows and faculty who were randomized into either the high-fidelity hands-on simulation group or computer-based simulation group. All participants took separate written tests prior to and immediately after their intervention. Four months later participants took a delayed written test and a hands-on high-fidelity severe contrast reaction scenario performance test graded on predefined critical actions. Results: There was no statistically significant difference between the computer and hands-on groups’ written pretest, immediate post-test, or delayed post-test scores (p > 0.6 for all). Both groups’ scores improved immediately following the intervention (p < 0.001). The delayed test scores 4 months later were still significantly higher than the pre-test scores (p ≤ 0.02). The computer group's performance was similar to the hands-on group on the severe contrast reaction simulation scenario test (p = 0.7). There were also no significant differences between the computer and hands-on groups in performance on the individual core competencies of contrast reaction management during the contrast reaction scenario. Conclusion: It is feasible to develop a computer-based interactive simulation program to teach contrast reaction management. Trainees that underwent computer-based simulation training scored similarly on written tests and on a hands-on high-fidelity severe contrast reaction scenario performance test as those trained with hands-on high-fidelity simulation

Computer simulation of spacecraft/environment interaction

International Nuclear Information System (INIS)

Krupnikov, K.K.; Makletsov, A.A.; Mileev, V.N.; Novikov, L.S.; Sinolits, V.V.

1999-01-01

This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language

Computer simulation of spacecraft/environment interaction

CERN Document Server

Krupnikov, K K; Mileev, V N; Novikov, L S; Sinolits, V V

1999-01-01

This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language.

PIC Simulation of Laser Plasma Interactions with Temporal Bandwidths

Science.gov (United States)

Tsung, Frank; Weaver, J.; Lehmberg, R.

2015-11-01

We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temperal bandwidths under conditions relevant to current and future shock ignition experiments on the NIKE laser. Our simulations show that, for sufficiently large bandwidth, the saturation level, and the distribution of hot electrons, can be effected by the addition of temporal bandwidths (which can be accomplished in experiments using smoothing techniques such as SSD or ISI). We will show that temporal bandwidth along play an important role in the control of LPI's in these lasers and discuss future directions. This work is conducted under the auspices of NRL.

77 FR 24537 - Draft Standards and Best Practices for Interaction Between Medical Examiner/Coroner and Organ and...

Science.gov (United States)

2012-04-24

... Best Practices for Interaction Between Medical Examiner/Coroner and Organ and Tissue Procurement... Committee Standards and Best Practices for Interaction Between Medical Examiner/Coroner Offices and Organ... coroner/medical examiner office representatives, law enforcement agencies, organizations, and all other...

Interactional synchrony in chimpanzees: Examination through a finger-tapping experiment.

Science.gov (United States)

Yu, Lira; Tomonaga, Masaki

2015-05-11

Humans often unconsciously coordinate behaviour with that of others in daily life. This interpersonal coordination, including mimicry and interactional synchrony, has been suggested to play a fundamental role in social interaction. If this coordinative behavior is socially adaptive, it may be shared with other highly social animal species. The current study targeted chimpanzees, which phylogenetically are the closest living relatives of humans and live in complex social groups, and examined whether interactional synchrony would emerge in pairs of chimpanzees when auditory information about a partner's movement was provided. A finger-tapping task was introduced via touch panels to elicit repetitive and rhythmic movement from each chimpanzee. We found that one of four chimpanzees produced significant changes in both tapping tempo and timing of the tapping relative to its partner's tap when auditory sounds were provided. Although the current results may have limitations in generalizing to chimpanzees as a species, we suggest that a finger-tapping task is one potential method to investigate interactional synchrony in chimpanzees under a laboratory setup.

Simulations of collisions between N-body classical systems in interaction; Simulations de collisions entre systemes classiques a n-corps en interaction

Energy Technology Data Exchange (ETDEWEB)

Morisseau, Francois [Laboratoire de Physique Corpusculaire de CAEN, ENSICAEN, Universite de Caen Basse-Normandie, UFR des Sciences, 6 bd Marechal Juin, 14050 Caen Cedex (France)

2006-05-15

The Classical N-body Dynamics (CNBD) is dedicated to the simulation of collisions between classical systems. The 2-body interaction used here has the properties of the Van der Waals potential and depends on just a few parameters. This work has two main goals. First, some theoretical approaches assume that the dynamical stage of the collisions plays an important role. Moreover, colliding nuclei are supposed to present a 1. order liquid-gas phase transition. Several signals have been introduced to show this transition. We have searched for two of them: the bimodality of the mass asymmetry and negative heat capacity. We have found them and we give an explanation of their presence in our calculations. Second, we have improved the interaction by adding a Coulomb like potential and by taking into account the stronger proton-neutron interaction in nuclei. Then we have figured out the relations that exist between the parameters of the 2-body interaction and the properties of the systems. These studies allow us to fit the properties of the classical systems to those of the nuclei. In this manuscript the first results of this fit are shown. (author)

Chemical interaction of tetravalent actinides simulators and the engineering barrier

International Nuclear Information System (INIS)

Chain, Pablo; Alba, Maria D.; Castro, Miguel A.; Pavon, Esperanza; Mar Orta, M.

2010-01-01

Document available in extended abstract form only. The Deep Geological Repository (DGR) is the most internationally accepted option for the storage of high radioactive wastes. This confinement is based on the Multi-barrier Concept where the engineered barrier is a crucial safety wise. Nowadays, bentonite is accepted as the best argillaceous material in the engineered barrier of DGR. Additionally to its well-known physical role, a chemical interaction between lutetium, as actinide simulator, and the smectite has been demonstrated. The existence of a reaction mechanism, which was not previously described, based on the chemical interaction between the lanthanide cations and the orthosilicate anions of the lamellar structure has been identified. This finding has aroused the interest of the scientific community because lanthanides are used as simulators of high activity radionuclide (HAR) in agreement with the guidelines established in the bibliography. It has been observed that in conditions of moderate temperature and pressure a chemical interaction exists between smectites and rare earth elements (RE) and phases of insoluble di-silicate, RE 2 Si 2 O 7 , which would immobilize RE, are generated. It is remarkable that the reaction extends to all the set of the smectites, although they do not display the same reactivity, the saponite being the most reactive. The main isotopes present in the HLW belong to the actinide elements Np, Pu, Am and Cm, in addition to uranium generated by neutron capture during the fuel combustion process. The study of the mobilization of actinide (IV) thorough the bentonite barrier is limited because of their radioactivity. However, U(IV), Np(IV), Pu(IV) and Th(IV) can be simulated by the stable isotopes of the Zr(IV) and Hf(IV), because they exhibit ionic radius and physicochemical properties very similar to those of the actinide elements. It is the main objective of this research to investigate the chemical interaction of Zr(IV) as actinide

Phantom-based interactive simulation system for dental treatment training.

Science.gov (United States)

Sae-Kee, Bundit; Riener, Robert; Frey, Martin; Pröll, Thomas; Burgkart, Rainer

2004-01-01

In this paper, we propose a new interactive simulation system for dental treatment training. The system comprises a virtual reality environment and a force-torque measuring device to enhance the capabilities of a passive phantom of tooth anatomy in dental treatment training processes. The measuring device is connected to the phantom, and provides essential input data for generating the graphic animations of physical behaviors such as drilling and bleeding. The animation methods of those physical behaviors are also presented. This system is not only able to enhance interactivity and accessibility of the training system compared to conventional methods but it also provides possibilities of recording, evaluating, and verifying the training results.

Los Alamos Nuclear Plant Analyzer: an interactive power-plant simulation program

International Nuclear Information System (INIS)

Steinke, R.; Booker, C.; Giguere, P.; Liles, D.R.; Mahaffy, J.H.; Turner, M.R.

1984-01-01

The Nuclear Plant Analyzer (NPA) is a computer-software interface for executing the TRAC or RELAP5 power-plant systems codes. The NPA is designed to use advanced supercomputers, long-distance data communications, and a remote workstation terminal with interactive computer graphics to analyze power-plant thermal-hydraulic behavior. The NPA interface simplifies the running of these codes through automated procedures and dialog interaction. User understanding of simulated-plant behavior is enhanced through graphics displays of calculational results. These results are displayed concurrently with the calculation. The user has the capability to override the plant's modeled control system with hardware-adjustment commands. This gives the NPA the utility of a simulator, and at the same time, the accuracy of an advanced, best-estimate, power-plant systems code for plant operation and safety analysis

Nuclear Plant Analyzer: an interactive TRAC/RELAP Power-Plant Simulation Program

International Nuclear Information System (INIS)

Steinke, R.; Booker, C.; Giguere, P.; Liles, D.; Mahaffy, J.; Turner, M.; Wiley, R.

1984-01-01

The Nuclear Plant Analyzer (NPA) is a computer-software interface for executing the TRAC or RELAP5 power-plant systems codes. The NPA is designed to use advanced supercomputers, long-distance data communications, and a remote workstation terminal with interactive computer graphics to analyze power-plant thermal-hydraulic behavior. The NPA interface simplifies the running of these codes through automated procedures and dialog interaction. User understanding of simulated-plant behavior is enhanced through graphics displays of calculational results. These results are displayed concurrently with the calculation. The user has the capability to override the plant's modeled control system with hardware adjustment commands. This gives the NPA the utility of a simulator, and at the same time, the accuracy of an advanced, best-estimate, power-plant systems code for plant operation and safety analysis

Advances in Computational Fluid-Structure Interaction and Flow Simulation Conference

CERN Document Server

Takizawa, Kenji

2016-01-01

This contributed volume celebrates the work of Tayfun E. Tezduyar on the occasion of his 60th birthday. The articles it contains were born out of the Advances in Computational Fluid-Structure Interaction and Flow Simulation (AFSI 2014) conference, also dedicated to Prof. Tezduyar and held at Waseda University in Tokyo, Japan on March 19-21, 2014. The contributing authors represent a group of international experts in the field who discuss recent trends and new directions in computational fluid dynamics (CFD) and fluid-structure interaction (FSI). Organized into seven distinct parts arranged by thematic topics, the papers included cover basic methods and applications of CFD, flows with moving boundaries and interfaces, phase-field modeling, computer science and high-performance computing (HPC) aspects of flow simulation, mathematical methods, biomedical applications, and FSI. Researchers, practitioners, and advanced graduate students working on CFD, FSI, and related topics will find this collection to be a defi...

Earthquake simulations with time-dependent nucleation and long-range interactions

Directory of Open Access Journals (Sweden)

J. H. Dieterich

1995-01-01

Full Text Available A model for rapid simulation of earthquake sequences is introduced which incorporates long-range elastic interactions among fault elements and time-dependent earthquake nucleation inferred from experimentally derived rate- and state-dependent fault constitutive properties. The model consists of a planar two-dimensional fault surface which is periodic in both the x- and y-directions. Elastic interactions among fault elements are represented by an array of elastic dislocations. Approximate solutions for earthquake nucleation and dynamics of earthquake slip are introduced which permit computations to proceed in steps that are determined by the transitions from one sliding state to the next. The transition-driven time stepping and avoidance of systems of simultaneous equations permit rapid simulation of large sequences of earthquake events on computers of modest capacity, while preserving characteristics of the nucleation and rupture propagation processes evident in more detailed models. Earthquakes simulated with this model reproduce many of the observed spatial and temporal characteristics of clustering phenomena including foreshock and aftershock sequences. Clustering arises because the time dependence of the nucleation process is highly sensitive to stress perturbations caused by nearby earthquakes. Rate of earthquake activity following a prior earthquake decays according to Omori's aftershock decay law and falls off with distance.

"That Truly Meant a Lot to Me": A Qualitative Examination of Meaningful Faculty-Student Interactions

Science.gov (United States)

Grantham, Ashley; Robinson, Emily Erin; Chapman, Diane

2015-01-01

The majority of research on faculty-student interaction has been primarily quantitative to date and has focused primarily on determining what kinds of interactions students have with faculty. This study furthers the literature on faculty-student interaction, taking a qualitative approach to examine what types of interactions with faculty students…

Fluid-structure interaction simulation of floating structures interacting with complex, large-scale ocean waves and atmospheric turbulence with application to floating offshore wind turbines

Science.gov (United States)

Calderer, Antoni; Guo, Xin; Shen, Lian; Sotiropoulos, Fotis

2018-02-01

We develop a numerical method for simulating coupled interactions of complex floating structures with large-scale ocean waves and atmospheric turbulence. We employ an efficient large-scale model to develop offshore wind and wave environmental conditions, which are then incorporated into a high resolution two-phase flow solver with fluid-structure interaction (FSI). The large-scale wind-wave interaction model is based on a two-fluid dynamically-coupled approach that employs a high-order spectral method for simulating the water motion and a viscous solver with undulatory boundaries for the air motion. The two-phase flow FSI solver is based on the level set method and is capable of simulating the coupled dynamic interaction of arbitrarily complex bodies with airflow and waves. The large-scale wave field solver is coupled with the near-field FSI solver with a one-way coupling approach by feeding into the latter waves via a pressure-forcing method combined with the level set method. We validate the model for both simple wave trains and three-dimensional directional waves and compare the results with experimental and theoretical solutions. Finally, we demonstrate the capabilities of the new computational framework by carrying out large-eddy simulation of a floating offshore wind turbine interacting with realistic ocean wind and waves.

Audio-haptic interaction in simulated walking experiences

DEFF Research Database (Denmark)

Serafin, Stefania

2011-01-01

and interchangeable use of the haptic and auditory modality in floor interfaces, and for the synergy of perception and action in capturing and guiding human walking. We describe the technology developed in the context of this project, together with some experiments performed to evaluate the role of auditory......In this paper an overview of the work conducted on audio-haptic physically based simulation and evaluation of walking is provided. This work has been performed in the context of the Natural Interactive Walking (NIW) project, whose goal is to investigate possibilities for the integrated...... and haptic feedback in walking tasks....

What counts as effective communication in nursing? Evidence from nurse educators' and clinicians' feedback on nurse interactions with simulated patients.

Science.gov (United States)

O'Hagan, Sally; Manias, Elizabeth; Elder, Catherine; Pill, John; Woodward-Kron, Robyn; McNamara, Tim; Webb, Gillian; McColl, Geoff

2014-06-01

To examine the feedback given by nurse educators and clinicians on the quality of communication skills of nurses in interactions with simulated patients. The quality of communication in interactions between nurses and patients has a major influence on patient outcomes. To support the development of effective nursing communication in clinical practice, a good understanding of what constitutes effective communication is helpful. An exploratory design was used involving individual interviews, focus groups and written notes from participants and field notes from researchers to investigate perspectives on nurse-patient communication. Focus groups and individual interviews were held between August 2010-September 2011 with a purposive sample of 15 nurse educators and clinicians who observed videos of interactions between nurses and simulated patients. These participants were asked to give oral feedback on the quality and content of these interactions. Verbatim transcriptions were undertaken of all data collected. All written notes and field notes were also transcribed. Thematic analysis of the data was undertaken. Four major themes related to nurse-patient communication were derived from the educators' and clinicians' feedback: approach to patients and patient care, manner towards patients, techniques used for interacting with patients and generic aspects of communication. This study has added to previous research by contributing grounded evidence from a group of nurse educators and clinicians on the aspects of communication that are relevant for effective nurse-patient interactions in clinical practice. © 2013 John Wiley & Sons Ltd.

Characterization of Hydrophobic Interactions of Polymers with Water and Phospholipid Membranes Using Molecular Dynamics Simulations

Science.gov (United States)

Drenscko, Mihaela

Polymers and lipid membranes are both essential soft materials. The structure and hydrophobicity/hydrophilicity of polymers, as well as the solvent they are embedded in, ultimately determines their size and shape. Understating the variation of shape of the polymer as well as its interactions with model biological membranes can assist in understanding the biocompatibility of the polymer itself. Computer simulations, in particular molecular dynamics, can aid in characterization of the interaction of polymers with solvent, as well as polymers with model membranes. In this thesis, molecular dynamics serve to describe polymer interactions with a solvent (water) and with a lipid membrane. To begin with, we characterize the hydrophobic collapse of single polystyrene chains in water using molecular dynamics simulations. Specifically, we calculate the potential of mean force for the collapse of a single polystyrene chain in water using metadynamics, comparing the results between all atomistic with coarse-grained molecular simulation. We next explore the scaling behavior of the collapsed globular shape at the minimum energy configuration, characterized by the radius of gyration, as a function of chain length. The exponent is close to one third, consistent with that predicted for a polymer chain in bad solvent. We also explore the scaling behavior of the Solvent Accessible Surface Area (SASA) as a function of chain length, finding a similar exponent for both all-atomistic and coarse-grained simulations. Furthermore, calculation of the local water density as a function of chain length near the minimum energy configuration suggests that intermediate chain lengths are more likely to form dewetted states, as compared to shorter or longer chain lengths. Next, in order to investigate the molecular interactions between single hydrophobic polymer chains and lipids in biological membranes and at lipid membrane/solvent interface, we perform a series of molecular dynamics simulations of

Simulation of Coulomb interaction effects in electron sources

International Nuclear Information System (INIS)

Rouse, John; Zhu Xieqing; Liu Haoning; Munro, Eric

2011-01-01

Over many years, we have developed electron source simulation software that has been used widely in the electron optics community to aid the development of rotationally symmetric electron and ion guns. The simulation includes the modelling of cathode emission and the effects of volumetric space charge. In the present paper we describe the existing software and explain how we have extended this software to include the effects of discrete Coulomb interactions between the electrons as they travel from the cathode surface to the exit of the gun. In the paper, we will describe the numerical models we have employed, the techniques we have used to maximize the speed of the Coulomb force computation and present several illustrative examples of cases analyzed using the new software, including thermal field emitters, LaB 6 guns and flat dispenser-type cathodes.

An iterative method for hydrodynamic interactions in Brownian dynamics simulations of polymer dynamics

Science.gov (United States)

Miao, Linling; Young, Charles D.; Sing, Charles E.

2017-07-01

Brownian Dynamics (BD) simulations are a standard tool for understanding the dynamics of polymers in and out of equilibrium. Quantitative comparison can be made to rheological measurements of dilute polymer solutions, as well as direct visual observations of fluorescently labeled DNA. The primary computational challenge with BD is the expensive calculation of hydrodynamic interactions (HI), which are necessary to capture physically realistic dynamics. The full HI calculation, performed via a Cholesky decomposition every time step, scales with the length of the polymer as O(N3). This limits the calculation to a few hundred simulated particles. A number of approximations in the literature can lower this scaling to O(N2 - N2.25), and explicit solvent methods scale as O(N); however both incur a significant constant per-time step computational cost. Despite this progress, there remains a need for new or alternative methods of calculating hydrodynamic interactions; large polymer chains or semidilute polymer solutions remain computationally expensive. In this paper, we introduce an alternative method for calculating approximate hydrodynamic interactions. Our method relies on an iterative scheme to establish self-consistency between a hydrodynamic matrix that is averaged over simulation and the hydrodynamic matrix used to run the simulation. Comparison to standard BD simulation and polymer theory results demonstrates that this method quantitatively captures both equilibrium and steady-state dynamics after only a few iterations. The use of an averaged hydrodynamic matrix allows the computationally expensive Brownian noise calculation to be performed infrequently, so that it is no longer the bottleneck of the simulation calculations. We also investigate limitations of this conformational averaging approach in ring polymers.

Simulation of mode converted ion Bernstein wave - beam deuteron interactions on TFTR

Science.gov (United States)

Herrmann, Mark; Fisch, Nathaniel

1998-11-01

Experiments on TFTR have documented strong interactions between mode converted ion Bernstein waves (MCIBW) and beam deuterons(D. S. Darrow et al.), Nucl. Fusion 36, 509 (1996).^,(N. J. Fisch et al.), IAEA, Vol. 1, p. 271 (1996). This is of particular interest in the study of α channelling, since the most promising scenarios(M. C. Herrmann and N. J. Fisch, Phys. Rev. Lett. 79), 1495 (1997). rely on a suitable combination of MCIBW and Alfvén eigenmodes to achieve the cooling of the α particles. Collisional effects, realistic wave fields, and a detailed model of the wave-particle interaction have been added to the Monte Carlo simulations which are used to simulate α channelling in order to model TFTR experiments(M. C. Herrmann, Ph.D. thesis, Princeton University, 1998.). The results are found to be in qualitative agreement with the data. In addition, the simulation is used, in conjunction with the data, to demonstrate the existence of the k_\\|-flip of the MCIBW, and to infer a diffusion coefficient for the beam deuterons interacting with the wave. This diffusion coefficient significantly exceeds what would be expected on the basis of quasilinear theory with the fields specified by 1 D ray tracing of the MCIBW.

A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

Science.gov (United States)

Yang, Sheng-Chun; Lu, Zhong-Yuan; Qian, Hu-Jun; Wang, Yong-Lei; Han, Jie-Ping

2017-11-01

In this work, we upgraded the electrostatic interaction method of CU-ENUF (Yang, et al., 2016) which first applied CUNFFT (nonequispaced Fourier transforms based on CUDA) to the reciprocal-space electrostatic computation and made the computation of electrostatic interaction done thoroughly in GPU. The upgraded edition of CU-ENUF runs concurrently in a hybrid parallel way that enables the computation parallelizing on multiple computer nodes firstly, then further on the installed GPU in each computer. By this parallel strategy, the size of simulation system will be never restricted to the throughput of a single CPU or GPU. The most critical technical problem is how to parallelize a CUNFFT in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Furthermore, the upgraded method is capable of computing electrostatic interactions for both the atomistic molecular dynamics (MD) and the dissipative particle dynamics (DPD). Finally, the benchmarks conducted for validation and performance indicate that the upgraded method is able to not only present a good precision when setting suitable parameters, but also give an efficient way to compute electrostatic interactions for huge simulation systems. Program Files doi:http://dx.doi.org/10.17632/zncf24fhpv.1 Licensing provisions: GNU General Public License 3 (GPL) Programming language: C, C++, and CUDA C Supplementary material: The program is designed for effective electrostatic interactions of large-scale simulation systems, which runs on particular computers equipped with NVIDIA GPUs. It has been tested on (a) single computer node with Intel(R) Core(TM) i7-3770@ 3.40 GHz (CPU) and GTX 980 Ti (GPU), and (b) MPI parallel computer nodes with the same configurations. Nature of problem: For molecular dynamics simulation, the electrostatic interaction is the most time-consuming computation because of its long-range feature and slow convergence in simulation space

Driving engineering of novel antimicrobial peptides from simulations of peptide-micelle interactions

DEFF Research Database (Denmark)

Khandelia, Himanshu; Langham, Allison A; Kaznessis, Yiannis N

2006-01-01

Simulations of antimicrobial peptides in membrane mimics can provide the high resolution, atomistic picture that is necessary to decipher which sequence and structure components are responsible for activity and toxicity. With such detailed insight, engineering new sequences that are active but non...... peptides and their interaction with membrane mimics. In this article, we discuss the promise and the challenges of widely used models and detail our recent work on peptide-micelle simulations as an attractive alternative to peptide-bilayer simulations. We detail our results with two large structural...... classes of peptides, helical and beta-sheet and demonstrate how simulations can assist in engineering of novel antimicrobials with therapeutic potential....

Computer simulation of biomolecule–biomaterial interactions at surfaces and interfaces

International Nuclear Information System (INIS)

Wang, Qun; Wang, Meng-hao; Lu, Xiong; Wang, Ke-feng; Zhang, Xing-dong; Liu, Yaling; Zhang, Hong-ping

2015-01-01

Biomaterial surfaces and interfaces are intrinsically complicated systems because they involve biomolecules, implanted biomaterials, and complex biological environments. It is difficult to understand the interaction mechanism between biomaterials and biomolecules through conventional experimental methods. Computer simulation is an effective way to study the interaction mechanism at the atomic and molecular levels. In this review, we summarized the recent studies on the interaction behaviors of biomolecules with three types of the most widely used biomaterials: hydroxyapatite (HA), titanium oxide (TiO 2 ), and graphene(G)/graphene oxide(GO). The effects of crystal forms, crystallographic planes, surface defects, doping atoms, and water environments on biomolecules adsorption are discussed in detail. This review provides valuable theoretical guidance for biomaterial designing and surface modification. (topical review)

A study of the use of simulated work task situations in interactive information retrieval evaluations

DEFF Research Database (Denmark)

Borlund, Pia

2016-01-01

Purpose – The purpose of this paper is to report a study of how the test instrument of a simulated work task situation is used in empirical evaluations of interactive information retrieval (IIR) and reported in the research literature. In particular, the author is interested to learn whether....... The paper addresses the need to carefully design and tailor simulated work task situations to suit the test participants in order to obtain the intended authentic and realistic IIR under study. Keywords Interactive information retrieval study, IIR study, Test design, Simulated work task situations, Meta-evaluation...... situations in IIR evaluations. In particular, with respect to the design and creation of realistic simulated work task situations. There is a lack of tailoring of the simulated work task situations to the test participants. Likewise, the requirement to include the test participants’ personal information...

Interactive knowledge discovery from marketing questionnarie using simulated breeding and inductive learning methods

Energy Technology Data Exchange (ETDEWEB)

Terano, Takao [Univ. of Tsukuba, Tokyo (Japan); Ishino, Yoko [Univ. of Tokyo (Japan)

1996-12-31

This paper describes a novel method to acquire efficient decision rules from questionnaire data using both simulated breeding and inductive learning techniques. The basic ideas of the method are that simulated breeding is used to get the effective features from the questionnaire data and that inductive learning is used to acquire simple decision rules from the data. The simulated breeding is one of the Genetic Algorithm (GA) based techniques to subjectively or interactively evaluate the qualities of offspring generated by genetic operations. In this paper, we show a basic interactive version of the method and two variations: the one with semi-automated GA phases and the one with the relatively evaluation phase via the Analytic Hierarchy Process (AHP). The proposed method has been qualitatively and quantitatively validated by a case study on consumer product questionnaire data.

Ion-surface interaction: simulation of plasma-wall interaction (ITER)

International Nuclear Information System (INIS)

Salou, Pierre

2013-01-01

The wall materials of magnetic confinement in fusion machines are exposed to an aggressive environment; the reactor blanket is bombarded with a high flux of particles extracted from the plasma, leading to the sputtering of surface material. This sputtering causes wall erosion as well as plasma contamination problems. In order to control fusion reactions in complex reactors, it is thus imperative to well understand the plasma-wall interactions. This work proposes the study of the sputtering of fusion relevant materials. We propose to simulate the charged particles influx by few keV single-charged ion beams. This study is based on the catcher method; to avoid any problem of pollution (especially in the case of carbon) we designed a new setup allowing an in situ Auger electron spectroscopy analysis. The results provide the evolution of the angular distribution of the sputtering yield as a function of the ion mass (from helium to xenon) and its energy (from 3 keV to 9 keV). (author) [fr

Embedding a Virtual Patient Simulator in an Interactive Surgical lecture.

Science.gov (United States)

Kleinert, Robert; Plum, Patrick; Heiermann, Nadine; Wahba, Roger; Chang, De-Huan; Hölscher, Arnulf H; Stippel, Dirk L

2016-01-01

Lectures are traditionally used for teaching declarative knowledge. One established tool for clinical education is the demonstration of a real patient. The use of real patients in the daily clinical environment is increasingly difficult. The use of a virtual patient simulator (VPS) can potentially circumvent these problems. Unlimited availability and the opportunity of an electronic feedback system could possibly enrich traditional lectures by enabling more interactivity that meets the expectations of the current student generation. As students face the consequences of their own decisions they take a more active role in the lecture. VPS links declarative knowledge with visual perception that is known to influence students' motivation. Until now, there have been no reports covering the usage and validation of interactive VPS for supporting traditional lectures. In this study, we (1) described the development of a custom-made three-dimensional (3D) VPS for supporting the traditional lecture and (2) performed a feasibility study including an initial assessment of this novel educational concept. Conceptualization included definition of curricular content, technical realization and validation. A custom-made simulator was validated with 68 students. The degree of student acceptance was evaluated. Furthermore, the effect on knowledge gain was determined by testing prelecture and postlecture performance. A custom-made simulator prototype that displays a 3D virtual clinic environment was developed and linked to a PowerPoint presentation. Students were able to connect to the simulator via electronic devices (smartphones and tablets) and to control the simulator via majority vote. The simulator was used in 6 lectures and validated in 2 lectures with 68 students each. Student acceptance and their opinion about effectiveness and applicability were determined. Students showed a high level of motivation when using the simulator as most of them had fun using it. Effect on

Experimental simulation of lightning, interacting explosions and astrophysical jets with pulsed lasers

International Nuclear Information System (INIS)

Villagran-Muniz, M; Sobral, H; Navarro-Gonzalez, R; Velazquez, P F; Raga, A C

2003-01-01

Tabletop laboratory experiments have been used to simulate natural lightning, interacting explosions and astrophysical jets. When a high-energy laser pulse is focused in air, a laser-induced plasma (LIP) is produced, that generates a shock wave and an adiabatic expansion of the gas. In our work we have used LIPs in order to simulate lightning, for the study of chemical reactions relevant to atmospheric science. Several diagnostics have been applied to our LIPs, such as deflectometry, shadowgraphy and interferometry, which yield full spatial information of the process (electron density and temperature, the position of the shock wave fronts and the expansion of the hot gas), with a time resolution that ranges from nanoseconds to milliseconds. A new diagnostic alternative was implemented for shadowgraphy, which uses either continuous lasers or conventional light sources. The experimental results have been reproduced by hydrodynamic codes that we have developed. With astrophysical applications in mind, we have simulated and diagnosed the interaction of two explosions, with the aforementioned techniques. For this purpose, two LIPs are synchronized and diagnosed spatially and temporarily. Also, by producing the LIP in a glass sphere with a nozzle that ejects a shock wave and hot gas, we are able to simulate astrophysical jets. With such experiments, astrophysical models developed by us have been validated, showing excellent agreement between experiments and numerical simulations

Behavioral and physiological reactions in dogs to a veterinary examination: Owner-dog interactions improve canine well-being.

Science.gov (United States)

Csoltova, Erika; Martineau, Michaël; Boissy, Alain; Gilbert, Caroline

2017-08-01

In order to improve well-being of dogs during veterinary visits, we aimed to investigate the effect of human social interactions on behavior and physiology during routine examination. Firstly, we assessed the impact of a standardized veterinary examination on behavioral and physiological indicators of stress in dogs. Secondly, we examined whether the owner's tactile and verbal interactions with the dog influenced behavioral and physiological stress-associated parameters. A randomized within-subjects crossover design was used to examine behavior (n=33), rectal temperature (n=33), heart rate (HR) (n=18), maximal ocular surface temperature (max OST) (n=13) and salivary cortisol concentrations (n=10) in healthy privately owned pet dogs. The study consisted of two experimental conditions: a) "contact" - owner petting and talking to the dog during the examination; b) "non-contact" - owner present during the examination but not allowed to interact with the dog. Our findings showed that the veterinary examinations produced acute stress responses in dogs during both "contact" and "non-contact" conditions, with significant increases in lip licking, HR, and max OST. A significant decrease in attempts to jump off the examination table (p=0.002) was observed during the examination in the "contact" compared to the "non-contact" condition. In addition, interactions of owners showed an attenuating effect on HR (p=0.018) and max OST (p=0.011) in their dogs. The testing order (first vs. second visit) had no impact on behavioral and physiological parameters, suggesting that dogs did not habituate or sensitize to the examination procedure. Moreover, the duration of the owner-dog interactions had no significant impact on the behavioral and physiological responses of their dogs. This study demonstrates that owner-dog interactions improve the well-being of dogs during a veterinary examination. Future research may assist in further understanding the mechanisms associated with reducing

Numerical simulation of bosonic-superconducting-string interactions

International Nuclear Information System (INIS)

Laguna, P.; Matzner, R.A.

1990-01-01

Numerical simulations show that bosonic superconducting U(1) gauge cosmic strings interact by reconnecting and chopping off in a fashion similar to nonconducting strings. Cancellation of the electromagnetic current occurs when, in one of the strings, the direction of the U(1) gauge magnetic field is opposite to the electromagnetic current flow. Electric charge accumulates on the segments of the reconnected strings where the current is discontinuous or vanishes. A virtual photon appears after the collision and intercommutation, and a bubble of electromagnetic radiation emerges as the currents in the reconnected strings equalize. These phenomena suggest new possible mechanisms for void production in the large-scale distribution of galaxies

Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

Science.gov (United States)

Alam, Manjurul; Golozar, Matin; Darabi, Jeff

2018-04-01

A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

Unsupportive social interactions and affective states: examining associations of two oxytocin-related polymorphisms.

Science.gov (United States)

McInnis, Opal A; McQuaid, Robyn J; Matheson, Kimberly; Anisman, Hymie

2017-01-01

Two single-nucleotide polymorphisms (SNPs) on oxytocin-related genes, specifically the oxytocin receptor (OXTR) rs53576 and the CD38 rs3796863 variants, have been associated with alterations in prosocial behaviors. A cross-sectional study was conducted among undergraduate students (N = 476) to examine associations between the OXTR and CD38 polymorphisms and unsupportive social interactions and mood states. Results revealed no association between perceived levels of unsupportive social interactions and the OXTR polymorphism. However, A carriers of the CD38 polymorphism, a variant previously associated with elevated oxytocin, reported greater perceived peer unsupportive interactions compared to CC carriers. As expected, perceived unsupportive interactions from peers was associated with greater negative affect, which was moderated by the CD38 polymorphism. Specifically, this relation was stronger among CC carriers of the CD38 polymorphism (a variant thought to be linked to lower oxytocin). When examining whether the OXTR polymorphism moderated the relation between unsupportive social interactions from peers and negative affect there was a trend toward significance, however, this did not withstand multiple testing corrections. These findings are consistent with the perspective that a variant on an oxytocin polymorphism that may be tied to lower oxytocin is related to poor mood outcomes in association with negative social interactions. At the same time, having a genetic constitution presumed to be associated with higher oxytocin was related to increased perceptions of unsupportive social interactions. These seemingly paradoxical findings could be related to previous reports in which variants associated with prosocial behaviors were also tied to relatively more effective coping styles to deal with challenges.

Brownian dynamics simulations of a flexible polymer chain which includes continuous resistance and multibody hydrodynamic interactions

Science.gov (United States)

Butler, Jason E.; Shaqfeh, Eric S. G.

2005-01-01

Using methods adapted from the simulation of suspension dynamics, we have developed a Brownian dynamics algorithm with multibody hydrodynamic interactions for simulating the dynamics of polymer molecules. The polymer molecule is modeled as a chain composed of a series of inextensible, rigid rods with constraints at each joint to ensure continuity of the chain. The linear and rotational velocities of each segment of the polymer chain are described by the slender-body theory of Batchelor [J. Fluid Mech. 44, 419 (1970)]. To include hydrodynamic interactions between the segments of the chain, the line distribution of forces on each segment is approximated by making a Legendre polynomial expansion of the disturbance velocity on the segment, where the first two terms of the expansion are retained in the calculation. Thus, the resulting linear force distribution is specified by a center of mass force, couple, and stresslet on each segment. This method for calculating the hydrodynamic interactions has been successfully used to simulate the dynamics of noncolloidal suspensions of rigid fibers [O. G. Harlen, R. R. Sundararajakumar, and D. L. Koch, J. Fluid Mech. 388, 355 (1999); J. E. Butler and E. S. G. Shaqfeh, J. Fluid Mech. 468, 204 (2002)]. The longest relaxation time and center of mass diffusivity are among the quantities calculated with the simulation technique. Comparisons are made for different levels of approximation of the hydrodynamic interactions, including multibody interactions, two-body interactions, and the "freely draining" case with no interactions. For the short polymer chains studied in this paper, the results indicate a difference in the apparent scaling of diffusivity with polymer length for the multibody versus two-body level of approximation for the hydrodynamic interactions.

Collaborative Encoding and Memory Accuracy: Examining the Effects of Interactive Components of Co-Construction Processes

Science.gov (United States)

Foley, Mary Ann; Fried, Adina Rachel; Cowan, Emily; Bays, Rebecca Brooke

2014-01-01

In 2 experiments, the effect of collaborative encoding on memory was examined by testing 2 interactive components of co-construction processes. One component focused on the nature of the interactive exchange between collaborators: As the partners worked together to create descriptions about ways to interact with familiar objects, constraints were…

77 FR 31041 - Draft Standards and Best Practices for Interaction Between Medical Examiner/Coroner and Organ and...

Science.gov (United States)

2012-05-24

... Best Practices for Interaction Between Medical Examiner/Coroner and Organ and Tissue Procurement... titled ``Organ and Tissue Procurement Committee Standards and Best Practices for Interaction Between Medical Examiner/Coroner Offices and Organ Tissue Procurement Organizations'' from May 12, 2012, to June...

Molecular Dynamics Simulation of Barnase: Contribution of Noncovalent Intramolecular Interaction to Thermostability

Directory of Open Access Journals (Sweden)

Zhiguo Chen

2013-01-01

Full Text Available Bacillus amyloliquefaciens ribonuclease Barnase (RNase Ba is a 12 kD (kilodalton small extracellular ribonuclease. It has broad application prospects in agriculture, clinical medicine, pharmaceutical, and so forth. In this work, the thermal stability of Barnase has been studied using molecular dynamics simulation at different temperatures. The present study focuses on the contribution of noncovalent intramolecular interaction to protein stability and how they affect the thermal stability of the enzyme. Profiles of root mean square deviation and root mean square fluctuation identify thermostable and thermosensitive regions of Barnase. Analyses of trajectories in terms of secondary structure content, intramolecular hydrogen bonds and salt bridge interactions indicate distinct differences in different temperature simulations. In the simulations, Four three-member salt bridge networks (Asp8-Arg110-Asp12, Arg83-Asp75-Arg87, Lys66-Asp93-Arg69, and Asp54-Lys27-Glu73 have been identified as critical salt bridges for thermostability which are maintained stably at higher temperature enhancing stability of three hydrophobic cores. The study may help enlighten our knowledge of protein structural properties, noncovalent interactions which can stabilize secondary peptide structures or promote folding, and also help understand their actions better. Such an understanding is required for designing efficient enzymes with characteristics for particular applications at desired working temperatures.

Remote Numerical Simulations of the Interaction of High Velocity Clouds with Random Magnetic Fields

Science.gov (United States)

Santillan, Alfredo; Hernandez--Cervantes, Liliana; Gonzalez--Ponce, Alejandro; Kim, Jongsoo

The numerical simulations associated with the interaction of High Velocity Clouds (HVC) with the Magnetized Galactic Interstellar Medium (ISM) are a powerful tool to describe the evolution of the interaction of these objects in our Galaxy. In this work we present a new project referred to as Theoretical Virtual i Observatories. It is oriented toward to perform numerical simulations in real time through a Web page. This is a powerful astrophysical computational tool that consists of an intuitive graphical user interface (GUI) and a database produced by numerical calculations. In this Website the user can make use of the existing numerical simulations from the database or run a new simulation introducing initial conditions such as temperatures, densities, velocities, and magnetic field intensities for both the ISM and HVC. The prototype is programmed using Linux, Apache, MySQL, and PHP (LAMP), based on the open source philosophy. All simulations were performed with the MHD code ZEUS-3D, which solves the ideal MHD equations by finite differences on a fixed Eulerian mesh. Finally, we present typical results that can be obtained with this tool.

Simulation of laser-target interactions in a vacuum

International Nuclear Information System (INIS)

Goldman, S.R.; Gitomer, S.L.; Kopp, R.A.; Saltzman, J.S.; Dingus, R.S.

1985-01-01

This paper presents numerical simulations for two problem classes. First we study (and compare against one-dimensional analogues) the two dimensional azimuthally symmetric interaction appropriate to a laser pulse energy of order 100 joules, flat-top pulse of width 50 nanoseconds, and wavelength of 0.25 μm, with intensities ranging from 2 x 10 9 W/cm 2 to 2 x 10 12 W/cm 2 . These conditions correspond to an experimental series shot on the Sprite laser at the Rutherford-Appleton Laboratory during the summer of 1985. Next we study the interaction, especially as concerns momentum coupling, for one-dimensional nondiverging geometry, at laser wavelengths of 0.25 μm and 10.6 μm and flat-topped pulsewidths of 1 μsec, with intensities ranging from 10 9 to 10 12 W/cm 2 . In all cases, calculations are for aluminum targets in vacuum

An interactive visualisation tool applied to the simulation of glass pressing

NARCIS (Netherlands)

Laevsky, K.; Telea, A.; Mattheij, R.M.M.

2001-01-01

An interactive numerical simulation approach to the process of glass pressing is presented. Glass is modelled as a strongly viscous Newtonian fluid whose deformation under pressure is described by a Stokes equation. Modelling the evolution of the glass free boundary in time poses a particular

gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

Science.gov (United States)

Serçinoglu, Onur; Ozbek, Pemra

2018-05-25

Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

Modelling and simulation of dynamic wheel-rail interaction using a roller rig

International Nuclear Information System (INIS)

Anyakwo, A; Pislaru, C; Ball, A; Gu, F

2012-01-01

The interaction between the wheel and rail greatly influences the dynamic response of railway vehicles on the track. A roller rig facility can be used to study and monitor real time parameters that influence wheel-rail interaction such as wear, adhesion, friction and corrugation without actual field tests being carried out. This paper presents the development of the mathematical models for full scale roller rig and 1/5 scale roller rig and the wear prediction model based on KTH wear function. The simulated critical speed for the 1/5 scale roller rig is about one-fifth of the critical speed for the full scale model so the simulated results compare well with the theory related to wheel-rail contact and dynamics. Also the differences between the simulated rolling radii for the full scale model with and without wear function are analysed. This paper presents the initial stage of a large scale research project where the influence of wear on the wheel-rail performance will be studied in more depth.

Design of an Agent-Based Model to Examine Population-Environment Interactions in Nang Rong District, Thailand.

Science.gov (United States)

Walsh, Stephen J; Malanson, George P; Entwisle, Barbara; Rindfuss, Ronald R; Mucha, Peter J; Heumann, Benjamin W; McDaniel, Philip M; Frizzelle, Brian G; Verdery, Ashton M; Williams, Nathalie; Xiaozheng, Yao; Ding, Deng

2013-05-01

The design of an Agent-Based Model (ABM) is described that integrates Social and Land Use Modules to examine population-environment interactions in a former agricultural frontier in Northeastern Thailand. The ABM is used to assess household income and wealth derived from agricultural production of lowland, rain-fed paddy rice and upland field crops in Nang Rong District as well as remittances returned to the household from family migrants who are engaged in off-farm employment in urban destinations. The ABM is supported by a longitudinal social survey of nearly 10,000 households, a deep satellite image time-series of land use change trajectories, multi-thematic social and ecological data organized within a GIS, and a suite of software modules that integrate data derived from an agricultural cropping system model (DSSAT - Decision Support for Agrotechnology Transfer) and a land suitability model (MAXENT - Maximum Entropy), in addition to multi-dimensional demographic survey data of individuals and households. The primary modules of the ABM are the Initialization Module, Migration Module, Assets Module, Land Suitability Module, Crop Yield Module, Fertilizer Module, and the Land Use Change Decision Module. The architecture of the ABM is described relative to module function and connectivity through uni-directional or bi-directional links. In general, the Social Modules simulate changes in human population and social networks, as well as changes in population migration and household assets, whereas the Land Use Modules simulate changes in land use types, land suitability, and crop yields. We emphasize the description of the Land Use Modules - the algorithms and interactions between the modules are described relative to the project goals of assessing household income and wealth relative to shifts in land use patterns, household demographics, population migration, social networks, and agricultural activities that collectively occur within a marginalized environment that

Towards Online Visualization and Interactive Monitoring of Real-Time CFD Simulations on Commodity Hardware

Directory of Open Access Journals (Sweden)

Nils Koliha

2015-09-01

Full Text Available Real-time rendering in the realm of computational fluid dynamics (CFD in particular and scientific high performance computing (HPC in general is a comparably young field of research, as the complexity of most problems with practical relevance is too high for a real-time numerical simulation. However, recent advances in HPC and the development of very efficient numerical techniques allow running first optimized numerical simulations in or near real-time, which in return requires integrated and optimized visualization techniques that do not affect performance. In this contribution, we present concepts, implementation details and several application examples of a minimally-invasive, efficient visualization tool for the interactive monitoring of 2D and 3D turbulent flow simulations on commodity hardware. The numerical simulations are conducted with ELBE, an efficient lattice Boltzmann environment based on NVIDIA CUDA (Compute Unified Device Architecture, which provides optimized numerical kernels for 2D and 3D computational fluid dynamics with fluid-structure interactions and turbulence.

Fission product vapour - aerosol interactions in the containment: simulant fuel studies

International Nuclear Information System (INIS)

Beard, A.M.; Benson, C.G.; Bowsher, B.R.

1988-12-01

Experiments have been conducted in the Falcon facility to study the interaction of fission product vapours released from simulant fuel samples with control rod aerosols. The aerosols generated from both the control rod and fuel sample were chemically distinct and had different deposition characteristics. Extensive interaction was observed between the fission product vapours and the control rod aerosol. The two dominant mechanisms were condensation of the vapours onto the aerosol, and chemical reactions between the two components; sorption phenomena were believed to be only of secondary importance. The interaction of fission product vapours and reactor materials aerosols could have a major impact on the transport characteristics of the radioactive emission from a degrading core. (author)

CFD simulation of two-sail interaction about a sailing yacht; Sailing Yacht no niyoku kansho no CFD simulation

Energy Technology Data Exchange (ETDEWEB)

Lee, Y.; Miyata, H.; Sato, T. [The University of Tokyo, Tokyo (Japan). Faculty of Engineering

1997-06-01

Numerical analysis of sail characteristics was done by the finite volume method for an IACC class racing yacht, in compliance to the WISDAM-7 method for analyzing flow fields around the hull. The simulation code makes discrete the Navier-Stokes equation for non-compressive fluid in a conserved system by the finite volume method, and tries to find the solutions following the algorithm of the MAC method in a time-dependent manner. The H-H grids generated by an interface boundary technique for each sail are integrated for the two-sail configuration. It is found that combination of the finite volume method and grid integration is an adequate CFD procedure for simulation of interactions between the two sails. Performance of two-sail configuration, involving complex mechanisms such as interactions and separation of flows, is found by the method in which viscosity is taken into consideration. 5 refs., 20 figs., 3 tabs.

Sediment–well interaction during depressurization

KAUST Repository

Shin, Hosung; Santamarina, Carlos

2016-01-01

production from hydrate accumulations in marine sediments. Sediment–well interaction is examined using a nonlinear finite element simulator. The hydro-mechanically coupled model represents the sediment as a Cam-Clay material, uses a continuous function

Molecular dynamics simulations of interfacial interactions between small nanoparticles during diffusion-limited aggregation

International Nuclear Information System (INIS)

Lu, Jing; Liu, Dongmei; Yang, Xiaonan; Zhao, Ying; Liu, Haixing; Tang, Huan; Cui, Fuyi

2015-01-01

Graphical abstract: - Highlights: • Diffusion-limited aggregation is analyzed using molecular dynamic simulations. • The aggregation processand aggregate structure vary with particle size. • Particle-particle interaction and surface diffusion result in direct bonding. • Water-mediated interaction is responsible for the separation betweennanoparticles. - Abstract: Due to the limitations of experimental methods at the atomic level, research on the aggregation of small nanoparticles (D < 5 nm) in aqueous solutions is quite rare. The aggregation of small nanoparticles in aqueous solutions is very different than that of normal sized nanoparticles. The interfacial interactions play a dominant role in the aggregation of small nanoparticles. In this paper, molecular dynamics simulations, which can explore the microscopic behavior of nanoparticles during the diffusion-limited aggregation at an atomic level, were employed to reveal the aggregation mechanism of small nanoparticles in aqueous solutions. First, the aggregation processes and aggregate structure were depicted. Second, the particle–particle interaction and surface diffusion of nanoparticles during aggregation were investigated. Third, the water-mediated interactions during aggregation were ascertained. The results indicate that the aggregation of nanoparticle in aqueous solutions is affected by particle size. The strong particle–particle interaction and high surface diffusion result in the formation of particle–particle bonds of 2 nm TiO 2 nanoparticles, and the water-mediated interaction plays an important role in the aggregation process of 3 and 4 nm TiO 2 nanoparticles.

Interactive fluka: a world wide web version for a simulation code in proton therapy

International Nuclear Information System (INIS)

Garelli, S.; Giordano, S.; Piemontese, G.; Squarcia, S.

1998-01-01

We considered the possibility of using the simulation code FLUKA, in the framework of TERA. We provided a window under World Wide Web in which an interactive version of the code is available. The user can find instructions for the installation, an on-line FLUKA manual and interactive windows for inserting all the data required by the configuration running file in a very simple way. The database choice allows a more versatile use for data verification and update, recall of old simulations and comparison with selected examples. A completely new tool for geometry drawing under Java has also been developed. (authors)

Nonlinear soil-structure interaction calculations simulating the SIMQUAKE experiment using STEALTH 2D

Science.gov (United States)

Tang, H. T.; Hofmann, R.; Yee, G.; Vaughan, D. K.

1980-01-01

Transient, nonlinear soil-structure interaction simulations of an Electric Power Research Institute, SIMQUAKE experiment were performed using the large strain, time domain STEALTH 2D code and a cyclic, kinematically hardening cap soil model. Results from the STEALTH simulations were compared to identical simulations performed with the TRANAL code and indicate relatively good agreement between all the STEALTH and TRANAL calculations. The differences that are seen can probably be attributed to: (1) large (STEALTH) vs. small (TRANAL) strain formulation and/or (2) grid discretization differences.

Numerical Simulation of Interactions between Corrosion Pits on Stainless Steel under Loading Conditions

International Nuclear Information System (INIS)

Wang, Haitao; Han, En-Hou

2017-01-01

The interactions between corrosion pits on stainless steel under loading conditions are studied by using a cellular automata model coupled with finite element method at a mesoscopic scale. The cellular automata model focuses on a metal/film/electrolyte system, including anodic dissolution, passivation, diffusion of hydrogen ions and salt film hydrolysis. The Chopard block algorithm is used to improve the diffusion simulation efficiency. The finite element method is used to calculate the stress concentration on the pit surface during pit growth, and the effect of local stress and strain on anodic current is obtained by using the Gutman model, which is used as the boundary conditions of the cellular automata model. The transient current characteristics of the interactions between corrosion pits under different simulation factors including the breakdown of the passive film at the pit mouth and the diffusion of hydrogen ions are analyzed. The analysis of the pit stability product shows that the simulation results are close to the experimental conclusions.

Numerical Simulation of Interactions between Corrosion Pits on Stainless Steel under Loading Conditions

Energy Technology Data Exchange (ETDEWEB)

Wang, Haitao; Han, En-Hou [Chinese Academy of Sciences, Shenyang (China)

2017-04-15

The interactions between corrosion pits on stainless steel under loading conditions are studied by using a cellular automata model coupled with finite element method at a mesoscopic scale. The cellular automata model focuses on a metal/film/electrolyte system, including anodic dissolution, passivation, diffusion of hydrogen ions and salt film hydrolysis. The Chopard block algorithm is used to improve the diffusion simulation efficiency. The finite element method is used to calculate the stress concentration on the pit surface during pit growth, and the effect of local stress and strain on anodic current is obtained by using the Gutman model, which is used as the boundary conditions of the cellular automata model. The transient current characteristics of the interactions between corrosion pits under different simulation factors including the breakdown of the passive film at the pit mouth and the diffusion of hydrogen ions are analyzed. The analysis of the pit stability product shows that the simulation results are close to the experimental conclusions.

Chitosan nanoparticles-trypsin interactions: Bio-physicochemical and molecular dynamics simulation studies.

Science.gov (United States)

Salar, Safoura; Mehrnejad, Faramarz; Sajedi, Reza H; Arough, Javad Mohammadnejad

2017-10-01

Herein, we investigated the effect of the chitosan nanoparticles (CsNP) on the structure, dynamics, and activity of trypsin. The enzyme activity in complex with the nanoparticles slightly increased, which represents the interactions between the nanoparticles and the enzyme. The kinetic parameters of the enzyme, K m and k cat , increased after adding the nanoparticles, resulting in a slight increase in the catalytic efficiency (k cat /K m ). However, the effect of the nanoparticles on the kinetic stability of trypsin has not exhibited significant variations. Fluorescence spectroscopy did not show remarkable changes in the trypsin conformation in the presence of the nanoparticles. The circular dichroism (CD) spectroscopy results also revealed the secondary structure of trypsin attached to the nanoparticles slightly changed. Furthermore, we used molecular dynamics (MD) simulation to find more information about the interaction mechanisms between the nanoparticles and trypsin. The root mean square deviation (RMSD) of Cα atoms results have shown that in the presence of the nanoparticles, trypsin was stable. The simulation and the calculation of the binding free energy demonstrate that the nonpolar interactions are the most important forces for the formation of stable nanoparticle-trypsin complex. This study has explicitly elucidated that the nanoparticles have not considerable effect on the trypsin. Copyright © 2017. Published by Elsevier B.V.

Numerical Simulation of Wind Turbine Blade-Tower Interaction

Institute of Scientific and Technical Information of China (English)

Qiang Wang; Hu Zhou; Decheng Wan

2012-01-01

Numerical simulations of wind turbine blade-tower interaction by using the open source OpenFOAM tools coupled with arbitrary mesh interface (AMI) method were presented.The governing equations were the unsteady Reynolds-averaged Navier-Stokes (PANS) which were solved by the pimpleDyMFoam solver,and the AMI method was employed to handle mesh movements.The National Renewable Energy Laboratory (NREL) phase Ⅵ wind turbine in upwind configuration was selected for numerical tests with different incoming wind speeds (5,10,15,and 25 m/s) at a fixed blade pitch and constant rotational speed.Detailed numerical results of vortex structure,time histories of thrust,and pressure distribution on the blade and tower were presented.The findings show that the wind turbine tower has little effect on the whole aerodynamic performance of an upwind wind turbine,while the rotating rotor will induce an obvious cyclic drop in the front pressure of the tower.Also,strong interaction of blade tip vortices with separation from the tower was observed.

Design and Application of Interactive Simulations in Problem-Solving in University-Level Physics Education

Science.gov (United States)

Ceberio, Mikel; Almudí, José Manuel; Franco, Ángel

2016-01-01

In recent years, interactive computer simulations have been progressively integrated in the teaching of the sciences and have contributed significant improvements in the teaching-learning process. Practicing problem-solving is a key factor in science and engineering education. The aim of this study was to design simulation-based problem-solving…

Simulation of hypersonic shock wave - laminar boundary layer interactions

Science.gov (United States)

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.

A unified framework for spiking and gap-junction interactions in distributed neuronal network simulations

Directory of Open Access Journals (Sweden)

Jan eHahne

2015-09-01

Full Text Available Contemporary simulators for networks of point and few-compartment model neurons come with a plethora of ready-to-use neuron and synapse models and support complex network topologies. Recent technological advancements have broadened the spectrum of application further to the efficient simulation of brain-scale networks on supercomputers. In distributed network simulations the amount of spike data that accrues per millisecond and process is typically low, such that a common optimization strategy is to communicate spikes at relatively long intervals, where the upper limit is given by the shortest synaptic transmission delay in the network. This approach is well-suited for simulations that employ only chemical synapses but it has so far impeded the incorporation of gap-junction models, which require instantaneous neuronal interactions. Here, we present a numerical algorithm based on a waveform-relaxation technique which allows for network simulations with gap junctions in a way that is compatible with the delayed communication strategy. Using a reference implementation in the NEST simulator, we demonstrate that the algorithm and the required data structures can be smoothly integrated with existing code such that they complement the infrastructure for spiking connections. To show that the unified framework for gap-junction and spiking interactions achieves high performance and delivers high accuracy...

Dynamical simulations of the interacting galaxies in the NGC 520/UGC 957 system

Science.gov (United States)

Stanford, S. A.; Balcells, Marc

1991-01-01

Numerical simulations of the interacting galaxies in the NGC 520/UGC 957 system are presented. Two sets of models were produced to investigate the postulated three-galaxy system of two colliding disk galaxies within NGC 520 and the dwarf galaxy UGC 957. The first set of models simulated a dwarf perturbing one-disk galaxy, which tested the possibility that NGC 520 contains only one galaxy disturbed by the passage of UGC 957. The resulting morphology of the perturbed single disk in the simulation fails to reproduce the observed tidal tails and northwest mass condensation of NGC 520. A second set of models simulated two colliding disks, which tested the hypothesis that NGC 520 itself contains two galaxies in a strong collision and UGC 957 is unimportant to the interaction. These disk-disk models produced a good match to the morphology of the present NGC 520. It is concluded that (1) NGC 520 contains two colliding disk galaxies which have produced the brighter southern half of the long tidal tail and (2) UGC 957, which may originally have been a satellite of one of the disk galaxies, formed the diffuse northern tail as it orbited NGC 520.

Simulation of the dynamics of laser-cluster interaction

International Nuclear Information System (INIS)

Deiss, C.

2009-01-01

Ranging in size from a few atoms to several million atoms, clusters form a link between gases and solids. When irradiating clusters with intense femtosecond laser pulses, the production of energetic and highly charged ions, hot electrons, and extreme UV and X-ray photons, gives evidence of a very efficient energy conversion. The size of the system and the multitude of mechanisms at play provide a considerable challenge for the theoretical treatment of the interaction. In this thesis, we have developed a Classical Trajectory Monte Carlo simulation that gives insight into the particle dynamics during the interaction of laser pulses with large argon clusters (with more than 10000 atoms per cluster). Elastic electron-ion scattering, electron-electron scattering, electron-impact ionization and excitation, as well as three-body recombination and Auger decay are included via stochastic events. In a strongly simplified picture, the dynamics of the laser-cluster interaction can be summarized as follows: the intense laser field ionizes the cluster atoms and drives the population of quasi-free electrons. In collision events, further free electrons and high ionic charge states are created. As some electrons leave the cluster, the ions feel a net positive charge, and the cluster ultimately disintegrates in a Coulomb explosion. Even at moderate laser intensities (approx. 10 15 W/cm 2 ), impact ionization produces inner-shell vacancies in the cluster ions that decay by emitting characteristic X-ray radiation. The small population of fast electrons responsible for these ionization events is produced near the cluster poles, where the combination of polarization and charging of the cluster leads to strongly enhanced field strengths. We achieve a good agreement over large parameter ranges between the simulation and X-ray spectroscopy experiments. We also investigate the dependence of X-ray emission on laser intensity, pulse duration and cluster size. We find that in order to

Simulation of wire-compensation of long range beam beam interaction in high energy accelerators

International Nuclear Information System (INIS)

Dorda, U.; )

2006-01-01

Full text: We present weak-strong simulation results for the effect of long-range beam-beam (LRBB) interaction in LHC as well as for proposed wire compensation schemes or wire experiments, respectively. In particular, we discuss details of the simulation model, instability indicators, the effectiveness of compensation, the difference between nominal and PACMAN bunches for the LHC, beam experiments, and wire tolerances. The simulations are performed with the new code BBTrack. (author)

Brownian dynamics simulations of polyelectrolyte adsorption in shear flow with hydrodynamic interaction

Science.gov (United States)

Hoda, Nazish; Kumar, Satish

2007-12-01

The adsorption of single polyelectrolyte molecules in shear flow is studied using Brownian dynamics simulations with hydrodynamic interaction (HI). Simulations are performed with bead-rod and bead-spring chains, and electrostatic interactions are incorporated through a screened Coulombic potential with excluded volume accounted for by the repulsive part of a Lennard-Jones potential. A correction to the Rotne-Prager-Yamakawa tensor is derived that accounts for the presence of a planar wall. The simulations show that migration away from an uncharged wall, which is due to bead-wall HI, is enhanced by increases in the strength of flow and intrachain electrostatic repulsion, consistent with kinetic theory predictions. When the wall and polyelectrolyte are oppositely charged, chain behavior depends on the strength of electrostatic screening. For strong screening, chains get depleted from a region close to the wall and the thickness of this depletion layer scales as N1/3Wi2/3 at high Wi, where N is the chain length and Wi is the Weissenberg number. At intermediate screening, bead-wall electrostatic attraction competes with bead-wall HI, and it is found that there is a critical Weissenberg number for desorption which scales as N-1/2κ-3(lB∣σq∣)3/2, where κ is the inverse screening length, lB is the Bjerrum length, σ is the surface charge density, and q is the bead charge. When the screening is weak, adsorbed chains are observed to align in the vorticity direction at low shear rates due to the effects of repulsive intramolecular interactions. At higher shear rates, the chains align in the flow direction. The simulation method and results of this work are expected to be useful for a number of applications in biophysics and materials science in which polyelectrolyte adsorption plays a key role.

The Basic Immune Simulator: An agent-based model to study the interactions between innate and adaptive immunity

Directory of Open Access Journals (Sweden)

Orosz Charles G

2007-09-01

Full Text Available Abstract Background We introduce the Basic Immune Simulator (BIS, an agent-based model created to study the interactions between the cells of the innate and adaptive immune system. Innate immunity, the initial host response to a pathogen, generally precedes adaptive immunity, which generates immune memory for an antigen. The BIS simulates basic cell types, mediators and antibodies, and consists of three virtual spaces representing parenchymal tissue, secondary lymphoid tissue and the lymphatic/humoral circulation. The BIS includes a Graphical User Interface (GUI to facilitate its use as an educational and research tool. Results The BIS was used to qualitatively examine the innate and adaptive interactions of the immune response to a viral infection. Calibration was accomplished via a parameter sweep of initial agent population size, and comparison of simulation patterns to those reported in the basic science literature. The BIS demonstrated that the degree of the initial innate response was a crucial determinant for an appropriate adaptive response. Deficiency or excess in innate immunity resulted in excessive proliferation of adaptive immune cells. Deficiency in any of the immune system components increased the probability of failure to clear the simulated viral infection. Conclusion The behavior of the BIS matches both normal and pathological behavior patterns in a generic viral infection scenario. Thus, the BIS effectively translates mechanistic cellular and molecular knowledge regarding the innate and adaptive immune response and reproduces the immune system's complex behavioral patterns. The BIS can be used both as an educational tool to demonstrate the emergence of these patterns and as a research tool to systematically identify potential targets for more effective treatment strategies for diseases processes including hypersensitivity reactions (allergies, asthma, autoimmunity and cancer. We believe that the BIS can be a useful addition to

Teaching Experience: How to Make and Use PowerPoint-Based Interactive Simulations for Undergraduate IR Teaching

Science.gov (United States)

Meibauer, Gustav; Aagaard Nøhr, Andreas

2018-01-01

This article is about designing and implementing PowerPoint-based interactive simulations for use in International Relations (IR) introductory undergraduate classes based on core pedagogical literature, models of human skill acquisition, and previous research on simulations in IR teaching. We argue that simulations can be usefully employed at the…

Numerical simulation of the interaction of elements of active protection with metal barriers

Science.gov (United States)

Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.

2017-10-01

The present paper is aimed at working out the algorithm of multi-contact interaction of solid bodies; it studies the influence of the shape of projectile (damage agent) on its penetration capability. Steel projectiles of different shape have been considered as damage agents: sphere, regular tetrahedron, cube, cylinder and plate. The weight of projectiles has been kept the same. Antitank grenade has been used as a target. The study has been conducted by means of numerical simulation using finite element analysis. The simulation is three-dimensional. Behavior of materials has been described by elasto-plastic model taking into consideration the fracture and fragmentation of interacting bodies. The speed of interaction has been considered within the range of 800 to 2000 m/s. Research results demonstrated significant influence of the projectile shape on its penetration capability. Projectile in the shape of elongated cylinder has shown better penetration capability. Considering the weight of damage agents (except for sphere and plate) their maximum penetration capability has been reached at the speed of 1400 m/s. Increase of the speed of interaction has been followed by intensive fracture of damage agents and their penetration capability thus has worsened.

Quantified, Interactive Simulation of AMCW ToF Camera Including Multipath Effects.

Science.gov (United States)

Bulczak, David; Lambers, Martin; Kolb, Andreas

2017-12-22

In the last decade, Time-of-Flight (ToF) range cameras have gained increasing popularity in robotics, automotive industry, and home entertainment. Despite technological developments, ToF cameras still suffer from error sources such as multipath interference or motion artifacts. Thus, simulation of ToF cameras, including these artifacts, is important to improve camera and algorithm development. This paper presents a physically-based, interactive simulation technique for amplitude modulated continuous wave (AMCW) ToF cameras, which, among other error sources, includes single bounce indirect multipath interference based on an enhanced image-space approach. The simulation accounts for physical units down to the charge level accumulated in sensor pixels. Furthermore, we present the first quantified comparison for ToF camera simulators. We present bidirectional reference distribution function (BRDF) measurements for selected, purchasable materials in the near-infrared (NIR) range, craft real and synthetic scenes out of these materials and quantitatively compare the range sensor data.

Quantified, Interactive Simulation of AMCW ToF Camera Including Multipath Effects

Directory of Open Access Journals (Sweden)

David Bulczak

2017-12-01

Full Text Available In the last decade, Time-of-Flight (ToF range cameras have gained increasing popularity in robotics, automotive industry, and home entertainment. Despite technological developments, ToF cameras still suffer from error sources such as multipath interference or motion artifacts. Thus, simulation of ToF cameras, including these artifacts, is important to improve camera and algorithm development. This paper presents a physically-based, interactive simulation technique for amplitude modulated continuous wave (AMCW ToF cameras, which, among other error sources, includes single bounce indirect multipath interference based on an enhanced image-space approach. The simulation accounts for physical units down to the charge level accumulated in sensor pixels. Furthermore, we present the first quantified comparison for ToF camera simulators. We present bidirectional reference distribution function (BRDF measurements for selected, purchasable materials in the near-infrared (NIR range, craft real and synthetic scenes out of these materials and quantitatively compare the range sensor data.

Hybrid Simulation of the Interaction of Europa's Atmosphere with the Jovian Plasma: Multiprocessor Simulations

Science.gov (United States)

Dols, V. J.; Delamere, P. A.; Bagenal, F.; Cassidy, T. A.; Crary, F. J.

2014-12-01

We model the interaction of Europa's tenuous atmosphere with the plasma of Jupiter's torus with an improved version of our hybrid plasma code. In a hybrid plasma code, the ions are treated as kinetic Macro-particles moving under the Lorentz force and the electrons as a fluid leading to a generalized formulation of Ohm's law. In this version, the spatial simulation domain is decomposed in 2 directions and is non-uniform in the plasma convection direction. The code is run on a multi-processor supercomputer that offers 16416 cores and 2GB Ram per core. This new version allows us to tap into the large memory of the supercomputer and simulate the full interaction volume (Reuropa=1561km) with a high spatial resolution (50km). Compared to Io, Europa's atmosphere is about 100 times more tenuous, the ambient magnetic field is weaker and the density of incident plasma is lower. Consequently, the electrodynamic interaction is also weaker and substantial fluxes of thermal torus ions might reach and sputter the icy surface. Molecular O2 is the dominant atmospheric product of this surface sputtering. Observations of oxygen UV emissions (specifically the ratio of OI 1356A / 1304A emissions) are roughly consistent with an atmosphere that is composed predominantely of O2 with a small amount of atomic O. Galileo observations along flybys close to Europa have revealed the existence of induced currents in a conducting ocean under the icy crust. They also showed that, from flyby to flyby, the plasma interaction is very variable. Asymmetries of the plasma density and temperature in the wake of Europa were also observed and still elude a clear explanation. Galileo mag data also detected ion cyclotron waves, which is an indication of heavy ion pickup close to the moon. We prescribe an O2 atmosphere with a vertical density column consistent with UV observations and model the plasma properties along several Galileo flybys of the moon. We compare our results with the magnetometer

Simulating social complexity a handbook

CERN Document Server

Meyer, Ruth

2013-01-01

Social systems are among the most complex known. This poses particular problems for those who wish to understand them. The complexity often makes analytic approaches infeasible and natural language approaches inadequate for relating intricate cause and effect. However, individual- and agent-based computational approaches hold out the possibility of new and deeper understanding of such systems.  Simulating Social Complexity examines all aspects of using agent- or individual-based simulation. This approach represents systems as individual elements having each their own set of differing states and internal processes. The interactions between elements in the simulation represent interactions in the target systems. What makes these elements "social" is that they are usefully interpretable as interacting elements of an observed society. In this, the focus is on human society, but can be extended to include social animals or artificial agents where such work enhances our understanding of human society.  The phenom...

An examination of social interaction profiles based on the factors measured by the screen for social interaction.

Science.gov (United States)

Mahoney, Emery B; Breitborde, Nicholas J K; Leone, Sarah L; Ghuman, Jaswinder Kaur

2014-10-01

Deficits in the capacity to engage in social interactions are a core deficit associated with Autistic Disorder (AD) and Pervasive Developmental Disorder-Not Otherwise Specified (PDD-NOS). These deficits emerge at a young age, making screening for social interaction deficits and interventions targeted at improving capacity in this area important for early identification and intervention. Screening and early intervention efforts are particularly important given the poor short and long term outcomes for children with Autism Spectrum Disorders (ASDs) who experience social interaction deficits. The Screen for Social Interaction (SSI) is a well-validated screening measure that examines a child's capacity for social interaction using a developmental approach. The present study identified four underlying factors measured by the SSI, namely, Connection with Caregiver, Interaction/Imagination, Social Approach/Interest, and Agreeable Nature. The resulting factors were utilized to compare social interaction profiles across groups of children with AD, PDD-NOS, children with non-ASD developmental and/or psychiatric conditions and typically developing children. The results indicate that children with AD and those with PDD-NOS had similar social interaction profiles, but were able to be distinguished from typically developing children on every factor and were able to be distinguished from children with non-ASD psychiatric conditions on every factor except the Connection with Caregiver factor. In addition, children with non-ASD developmental and/or psychiatric conditions could be distinguished from typically developing children on the Connection with Caregiver factor and the Social Approach/Interest factor. These findings have implications for screening and intervention for children with ASDs and non-ASD psychiatric conditions. Copyright © 2014 Elsevier Ltd. All rights reserved.

Evaluating Multiple Levels of an Interaction Fidelity Continuum on Performance and Learning in Near-Field Training Simulations.

Science.gov (United States)

Bhargava, Ayush; Bertrand, Jeffrey W; Gramopadhye, Anand K; Madathil, Kapil C; Babu, Sabarish V

2018-04-01

With costs of head-mounted displays (HMDs) and tracking technology decreasing rapidly, various virtual reality applications are being widely adopted for education and training. Hardware advancements have enabled replication of real-world interactions in virtual environments to a large extent, paving the way for commercial grade applications that provide a safe and risk-free training environment at a fraction of the cost. But this also mandates the need to develop more intrinsic interaction techniques and to empirically evaluate them in a more comprehensive manner. Although there exists a body of previous research that examines the benefits of selected levels of interaction fidelity on performance, few studies have investigated the constituent components of fidelity in a Interaction Fidelity Continuum (IFC) with several system instances and their respective effects on performance and learning in the context of a real-world skills training application. Our work describes a large between-subjects investigation conducted over several years that utilizes bimanual interaction metaphors at six discrete levels of interaction fidelity to teach basic precision metrology concepts in a near-field spatial interaction task in VR. A combined analysis performed on the data compares and contrasts the six different conditions and their overall effects on performance and learning outcomes, eliciting patterns in the results between the discrete application points on the IFC. With respect to some performance variables, results indicate that simpler restrictive interaction metaphors and highest fidelity metaphors perform better than medium fidelity interaction metaphors. In light of these results, a set of general guidelines are created for developers of spatial interaction metaphors in immersive virtual environments for precise fine-motor skills training simulations.

Seismic simulation analysis of nuclear reactor building by soil-building interaction model

International Nuclear Information System (INIS)

Muto, K.; Kobayashi, T.; Motohashi, S.; Kusano, N.; Mizuno, N.; Sugiyama, N.

1981-01-01

Seismic simulation analysis were performed for evaluating soil-structure interaction effects by an analytical approach using a 'Lattice Model' developed by the authors. The purpose of this paper is to check the adequacy of this procedure for analyzing soil-structure interaction by means of comparing computed results with recorded ones. The 'Lattice Model' approach employs a lumped mass interactive model, in which not only the structure but also the underlying and/or surrounding soil are modeled as descretized elements. The analytical model used for this study extends about 310 m in the horizontal direction and about 103 m in depth. The reactor building is modeled as three shearing-bending sticks (outer wall, inner wall and shield wall) and the underlying and surrounding soil are divided into four shearing sticks (column directly beneath the reactor building, adjacent, near and distant columns). A corresponding input base motion for the 'Lattice Model' was determined by a deconvolution analysis using a recorded motion at elevation -18.5 m in the free-field. The results of this simulation analysis were shown to be in reasonably good agreement with the recorded ones in the forms of the distribution of ground motions and structural responses, acceleration time histories and related response spectra. These results showed that the 'Lattice Model' approach was an appropriate one to estimate the soil-structure interaction effects. (orig./HP)

Real time Monte Carlo simulation for evaluation of patient doses involved in radiological examinations

International Nuclear Information System (INIS)

Fulea, D.; Cosma, C.

2006-01-01

In order to apply the Monte Carlo simulation technique for usual radiological examinations we developed a Pc program, 'IradMed', written entirely in Java. The main purpose of this program is to compute the organ doses and the effective dose of patients, which are exposed at a X-ray beam having photon energies in 10 to 150 keV radiodiagnostic range. Three major radiological procedures are considered, namely mammography, radiography and CT. The fluoroscopy implies an irregular geometry and therefore it is neglected. Nevertheless, a gross estimation of patient doses can be made taking into account the fluoroscopy as being composed of several radiographic examinations applied in different anatomical regions. The interactions between radiation and matter are well-known, and the accuracy of the calculation is limited by the accuracy of the anatomical model used to describe actual patients and by characterisation of the radiation field applied. In this version of IradMed, it is assumed that the absorbed dose is equal with kerma for all tissues. No procedure has been used to take account of the finite range of the secondary electrons that are produced by photoelectric or Compton interactions. These ranges are small compared with the dimensions of the organs, and the absorbed dose will not change abruptly with distance except at boundary where composition and density change. However these boundary effects would have little effect in the determination of the average doses to almost all organs, except the active bone marrow which is treated separately. Another justification for this kerma approximation is the fact that the sum of all electron energies that exit the organ is statistically equal with the sum of all electron energies that enter in that particular organ. In this version of program, it is considered the following interactions: the Rayleigh scattering, the Compton scattering and the photoelectric effect. The Compton scattering is modeled by several methods which

Real time Monte Carlo simulation for evaluation of patient doses involved in radiological examinations

Energy Technology Data Exchange (ETDEWEB)

Fulea, D [Institute of Public Health ' Prof.Dr.Iuliu Moldovan' , Cluj-Napoca (Romania); Cosma, C [Babes-Bolyai Univ., Faculty of Physics, Cluj-Napoca (Romania)

2006-07-01

In order to apply the Monte Carlo simulation technique for usual radiological examinations we developed a Pc program, 'IradMed', written entirely in Java. The main purpose of this program is to compute the organ doses and the effective dose of patients, which are exposed at a X-ray beam having photon energies in 10 to 150 keV radiodiagnostic range. Three major radiological procedures are considered, namely mammography, radiography and CT. The fluoroscopy implies an irregular geometry and therefore it is neglected. Nevertheless, a gross estimation of patient doses can be made taking into account the fluoroscopy as being composed of several radiographic examinations applied in different anatomical regions. The interactions between radiation and matter are well-known, and the accuracy of the calculation is limited by the accuracy of the anatomical model used to describe actual patients and by characterisation of the radiation field applied. In this version of IradMed, it is assumed that the absorbed dose is equal with kerma for all tissues. No procedure has been used to take account of the finite range of the secondary electrons that are produced by photoelectric or Compton interactions. These ranges are small compared with the dimensions of the organs, and the absorbed dose will not change abruptly with distance except at boundary where composition and density change. However these boundary effects would have little effect in the determination of the average doses to almost all organs, except the active bone marrow which is treated separately. Another justification for this kerma approximation is the fact that the sum of all electron energies that exit the organ is statistically equal with the sum of all electron energies that enter in that particular organ. In this version of program, it is considered the following interactions: the Rayleigh scattering, the Compton scattering and the photoelectric effect. The Compton scattering is modeled by several methods which

The "resident's dilemma"? Values and strategies of medical residents for education interactions: a cellular automata simulation.

Science.gov (United States)

Heckerling, P S; Gerber, B S; Weiner, S J

2006-01-01

Medical residents engage in formal and informal education interactions with fellow residents during the working day, and can choose whether to spend time and effort on such interactions. Time and effort spent on such interactions can bring learning and personal satisfaction to residents, but may also delay completion of clinical work. Using hypothetical cases, we assessed the values and strategies of internal medicine residents at one hospital for both cooperative and non-cooperative education interactions with fellow residents. We then used these data and cellular automata models of two-person games to simulate repeated interactions between residents, and to determine which strategies resulted in greatest accrued value. We conducted sensitivity analyses on several model parameters, to test the robustness of dominant strategies to model assumptions. Twenty-nine of the 57 residents (50.9%) valued cooperation more than non-cooperation no matter what the other resident did during the current interaction. Similarly, thirty-six residents (63.2%) endorsed an unconditional always-cooperate strategy no matter what the other resident had done during their previous interaction. In simulations, an always-cooperate strategy accrued more value (776.42 value units) than an aggregate of strategies containing non-cooperation components (675.0 value units, p = 0.052). Only when the probability of strategy errors reached 50%, or when values were re-ordered to match those of a Prisoner's Dilemma, did non-cooperation-based strategies accrue the most value. Cooperation-based values and strategies were most frequent among our residents, and dominated in simulations of repeated education interactions between them.

Specific interactions between DNA and regulatory protein controlled by ligand-binding: Ab initio molecular simulation

Energy Technology Data Exchange (ETDEWEB)

Matsushita, Y., E-mail: kurita@cs.tut.ac.jp; Murakawa, T., E-mail: kurita@cs.tut.ac.jp; Shimamura, K., E-mail: kurita@cs.tut.ac.jp; Oishi, M., E-mail: kurita@cs.tut.ac.jp; Ohyama, T., E-mail: kurita@cs.tut.ac.jp; Kurita, N., E-mail: kurita@cs.tut.ac.jp [Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi, 441-8580 (Japan)

2015-02-27

The catabolite activator protein (CAP) is one of the regulatory proteins controlling the transcription mechanism of gene. Biochemical experiments elucidated that the complex of CAP with cyclic AMP (cAMP) is indispensable for controlling the mechanism, while previous molecular simulations for the monomer of CAP+cAMP complex revealed the specific interactions between CAP and cAMP. However, the effect of cAMP-binding to CAP on the specific interactions between CAP and DNA is not elucidated at atomic and electronic levels. We here considered the ternary complex of CAP, cAMP and DNA in solvating water molecules and investigated the specific interactions between them at atomic and electronic levels using ab initio molecular simulations based on classical molecular dynamics and ab initio fragment molecular orbital methods. The results highlight the important amino acid residues of CAP for the interactions between CAP and cAMP and between CAP and DNA.

Specific interactions between DNA and regulatory protein controlled by ligand-binding: Ab initio molecular simulation

International Nuclear Information System (INIS)

Matsushita, Y.; Murakawa, T.; Shimamura, K.; Oishi, M.; Ohyama, T.; Kurita, N.

2015-01-01

The catabolite activator protein (CAP) is one of the regulatory proteins controlling the transcription mechanism of gene. Biochemical experiments elucidated that the complex of CAP with cyclic AMP (cAMP) is indispensable for controlling the mechanism, while previous molecular simulations for the monomer of CAP+cAMP complex revealed the specific interactions between CAP and cAMP. However, the effect of cAMP-binding to CAP on the specific interactions between CAP and DNA is not elucidated at atomic and electronic levels. We here considered the ternary complex of CAP, cAMP and DNA in solvating water molecules and investigated the specific interactions between them at atomic and electronic levels using ab initio molecular simulations based on classical molecular dynamics and ab initio fragment molecular orbital methods. The results highlight the important amino acid residues of CAP for the interactions between CAP and cAMP and between CAP and DNA

SIDAS - a block-diagram programming system for the interactive digital simulation of dynamic systems

International Nuclear Information System (INIS)

Moll, H.; Burkhardt, H.

1978-01-01

The paper describes a block-oriented digital simulation system. Some applications clarify the basic structure and operation. The main features of the system are: Easy handling and manipulation through interactive graphical input/output, operational flexibility through successive simulation runs and online modification of parameters, direct access to all facilities of a medium-sized computing system. (orig.) [de

Microsurgery Simulator of Cerebral Aneurysm Clipping with Interactive Cerebral Deformation Featuring a Virtual Arachnoid.

Science.gov (United States)

Shono, Naoyuki; Kin, Taichi; Nomura, Seiji; Miyawaki, Satoru; Saito, Toki; Imai, Hideaki; Nakatomi, Hirofumi; Oyama, Hiroshi; Saito, Nobuhito

2018-05-01

A virtual reality simulator for aneurysmal clipping surgery is an attractive research target for neurosurgeons. Brain deformation is one of the most important functionalities necessary for an accurate clipping simulator and is vastly affected by the status of the supporting tissue, such as the arachnoid membrane. However, no virtual reality simulator implementing the supporting tissue of the brain has yet been developed. To develop a virtual reality clipping simulator possessing interactive brain deforming capability closely dependent on arachnoid dissection and apply it to clinical cases. Three-dimensional computer graphics models of cerebral tissue and surrounding structures were extracted from medical images. We developed a new method for modifiable cerebral tissue complex deformation by incorporating a nonmedical image-derived virtual arachnoid/trabecula in a process called multitissue integrated interactive deformation (MTIID). MTIID made it possible for cerebral tissue complexes to selectively deform at the site of dissection. Simulations for 8 cases of actual clipping surgery were performed before surgery and evaluated for their usefulness in surgical approach planning. Preoperatively, each operative field was precisely reproduced and visualized with the virtual brain retraction defined by users. The clear visualization of the optimal approach to treating the aneurysm via an appropriate arachnoid incision was possible with MTIID. A virtual clipping simulator mainly focusing on supporting tissues and less on physical properties seemed to be useful in the surgical simulation of cerebral aneurysm clipping. To our knowledge, this article is the first to report brain deformation based on supporting tissues.

Hydroacoustic simulation of rotor-stator interaction in resonance conditions in Francis pump-turbine

International Nuclear Information System (INIS)

Nicolet, C; Ruchonnet, N; Alligne, S; Avellan, F; Koutnik, J

2010-01-01

Combined effect of rotating pressure field related to runner blade and wakes of wicket gates leads to rotor stator interactions, RSI, in Francis pump-turbines. These interactions induce pressures waves propagating in the entire hydraulic machine. Superposition of those pressure waves may result in standing wave in the spiral casing and rotating diametrical mode in the guide vanes and can cause strong pressure fluctuations and vibrations. This paper presents the modeling, simulation and analysis of Rotor-Stator Interaction of a scale model of a Francis pump-turbine and related test rig using a one-dimensional approach. The hydroacoustic modeling of the Francis pump-turbine takes into account the spiral casing, the 20 guide vanes, the 9 rotating runner vanes. The connection between stationary and rotating parts is ensured by a valve network driven according to the unsteady flow distribution between guide vanes and runner vanes. Time domain simulations are performed for 2 different runner rotational speeds in turbine mode. The simulation results are analyzed in frequency domain and highlights hydroacoustic resonance between RSI excitations and the spiral case. Rotating diametrical mode in the vaneless gap and standing wave in the spiral case are identified. The influence of the resonance on phase and amplitude of pressure fluctuations obtained for both the spiral case and the vaneless gap is analyzed. The mode shape and frequencies are confirmed using eigenvalues analysis.

Interactive simulations of gas-turbine modular HTGR transients and heatup accidents

International Nuclear Information System (INIS)

Ball, S.J.; Nypaver, D.J.

1994-01-01

An interactive workstation-based simulator has been developed for performing analyses of modular high-temperature gas-cooled reactor (MHTGR) core transients and accidents. It was originally developed at Oak Ridge National Laboratory for the US Nuclear Regulatory Commission to assess the licensability of the US Department of Energy (DOE) steam cycle design 350-MW(t) MHTGR. Subsequently, the code was modified under DOE sponsorship to simulate the 450-MW(t) Gas Turbine (GT) design and to aid in development and design studies. Features of the code (MORECA-GT) include detailed modeling of 3-D core thermal-hydraulics, interactive workstation capabilities that allow user/analyst or ''operator'' involvement in accident scenarios, and options for studying anticipated transients without scram (ATWS) events. In addition to the detailed models for the core, MORECA includes models for the vessel, Shutdown Cooling System (SCS), and Reactor Cavity Cooling System (RCCS), and core point kinetics to accommodate ATWS events. The balance of plant (BOP) is currently not modeled. The interactive workstation features include options for on-line parameter plots and 3-D graphic temperature profiling. The studies to date show that the proposed MHTGR designs are very robust and can generally withstand the consequences of even the extremely low probability postulated accidents with little or no damage to the reactor's fuel or metallic components

Interactive simulations of gas-turbine modular HTGR transients and heatup accidents

Energy Technology Data Exchange (ETDEWEB)

Ball, S.J.; Nypaver, D.J.

1994-06-01

An interactive workstation-based simulator has been developed for performing analyses of modular high-temperature gas-cooled reactor (MHTGR) core transients and accidents. It was originally developed at Oak Ridge National Laboratory for the US Nuclear Regulatory Commission to assess the licensability of the US Department of Energy (DOE) steam cycle design 350-MW(t) MHTGR. Subsequently, the code was modified under DOE sponsorship to simulate the 450-MW(t) Gas Turbine (GT) design and to aid in development and design studies. Features of the code (MORECA-GT) include detailed modeling of 3-D core thermal-hydraulics, interactive workstation capabilities that allow user/analyst or ``operator`` involvement in accident scenarios, and options for studying anticipated transients without scram (ATWS) events. In addition to the detailed models for the core, MORECA includes models for the vessel, Shutdown Cooling System (SCS), and Reactor Cavity Cooling System (RCCS), and core point kinetics to accommodate ATWS events. The balance of plant (BOP) is currently not modeled. The interactive workstation features include options for on-line parameter plots and 3-D graphic temperature profiling. The studies to date show that the proposed MHTGR designs are very robust and can generally withstand the consequences of even the extremely low probability postulated accidents with little or no damage to the reactor`s fuel or metallic components.

D-VASim: An Interactive Virtual Laboratory Environment for the Simulation and Analysis of Genetic Circuits

DEFF Research Database (Denmark)

Baig, Hasan; Madsen, Jan

2016-01-01

runtime. The runtime interaction gives the user a feeling of being in the lab performing a real world experiment. In this work, we present a user-friendly software tool named D-VASim (Dynamic Virtual Analyzer and Simulator), which provides a virtual laboratory environment to simulate and analyze...

Design, development, and evaluation of an interactive simulator for engineering ethics education (SEEE).

Science.gov (United States)

Chung, Christopher A; Alfred, Michael

2009-06-01

Societal pressures, accreditation organizations, and licensing agencies are emphasizing the importance of ethics in the engineering curriculum. Traditionally, this subject has been taught using dogma, heuristics, and case study approaches. Most recently a number of organizations have sought to increase the utility of these approaches by utilizing the Internet. Resources from these organizations include on-line courses and tests, videos, and DVDs. While these individual approaches provide a foundation on which to base engineering ethics, they may be limited in developing a student's ability to identify, analyze, and respond to engineering ethics situations outside of the classroom environment. More effective approaches utilize a combination of these types of approaches. This paper describes the design and development of an internet based interactive Simulator for Engineering Ethics Education. The simulator places students in first person perspective scenarios involving different types of ethical situations. Students must gather data, assess the situation, and make decisions. This requires students to develop their own ability to identify and respond to ethical engineering situations. A limited comparison between the internet based interactive simulator and conventional internet web based instruction indicates a statistically significant improvement of 32% in instructional effectiveness. The simulator is currently being used at the University of Houston to help fulfill ABET requirements.

An operator training simulator based on interactive virtual teleoperation: nuclear facilities maintenance applications

International Nuclear Information System (INIS)

Kim, Ki Ho; Kim, Seung Ho

1997-01-01

Remote manipulation in nuclear hazardous environment is very often complex and difficult to operate and requires excessively careful preparation. Remote slave manipulators for unstructured work are manually controlled by a human operator. Small errors made by the operator via the master manipulator during operation can cause the slave to be surffered from excessive forces and result in considerable damages to the slave iteself and its environment. In this paper, we present a prototype of an operator training simulator for use in nuclear facilities maintenance applications, as part of the ongoing Nuclear Robotics Development Program at Korea Atomic Energy Research Institute (KAERI). The operator training simulator provides a means by which, in virtual task simulation, the operator can try out and train for expected remote tasks that the real slave manipulator will perform in advance. The operator interacts with both the virtual slave and task environment through the real master. Virtual interaction force feedback is provided to the operator. We also describe a man-in-the loop control scheme to realize bilateral force reflection in virtual teleoperation

Simulation of aerosol flow interaction with a solid body on molecular level

Science.gov (United States)

Amelyushkin, Ivan A.; Stasenko, Albert L.

2018-05-01

Physico-mathematical models and numerical algorithm of two-phase flow interaction with a solid body are developed. Results of droplet motion and its impingement upon a rough surface in real gas boundary layer simulation on the molecular level obtained via molecular dynamics technique are presented.

Advanced computational simulations of water waves interacting with wave energy converters

Science.gov (United States)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

Assessment of Robotic Patient Simulators for Training in Manual Physical Therapy Examination Techniques

Science.gov (United States)

Ishikawa, Shun; Okamoto, Shogo; Isogai, Kaoru; Akiyama, Yasuhiro; Yanagihara, Naomi; Yamada, Yoji

2015-01-01

Robots that simulate patients suffering from joint resistance caused by biomechanical and neural impairments are used to aid the training of physical therapists in manual examination techniques. However, there are few methods for assessing such robots. This article proposes two types of assessment measures based on typical judgments of clinicians. One of the measures involves the evaluation of how well the simulator presents different severities of a specified disease. Experienced clinicians were requested to rate the simulated symptoms in terms of severity, and the consistency of their ratings was used as a performance measure. The other measure involves the evaluation of how well the simulator presents different types of symptoms. In this case, the clinicians were requested to classify the simulated resistances in terms of symptom type, and the average ratios of their answers were used as performance measures. For both types of assessment measures, a higher index implied higher agreement among the experienced clinicians that subjectively assessed the symptoms based on typical symptom features. We applied these two assessment methods to a patient knee robot and achieved positive appraisals. The assessment measures have potential for use in comparing several patient simulators for training physical therapists, rather than as absolute indices for developing a standard. PMID:25923719

Assessment of robotic patient simulators for training in manual physical therapy examination techniques.

Directory of Open Access Journals (Sweden)

Shun Ishikawa

Full Text Available Robots that simulate patients suffering from joint resistance caused by biomechanical and neural impairments are used to aid the training of physical therapists in manual examination techniques. However, there are few methods for assessing such robots. This article proposes two types of assessment measures based on typical judgments of clinicians. One of the measures involves the evaluation of how well the simulator presents different severities of a specified disease. Experienced clinicians were requested to rate the simulated symptoms in terms of severity, and the consistency of their ratings was used as a performance measure. The other measure involves the evaluation of how well the simulator presents different types of symptoms. In this case, the clinicians were requested to classify the simulated resistances in terms of symptom type, and the average ratios of their answers were used as performance measures. For both types of assessment measures, a higher index implied higher agreement among the experienced clinicians that subjectively assessed the symptoms based on typical symptom features. We applied these two assessment methods to a patient knee robot and achieved positive appraisals. The assessment measures have potential for use in comparing several patient simulators for training physical therapists, rather than as absolute indices for developing a standard.

Assessment of robotic patient simulators for training in manual physical therapy examination techniques.

Science.gov (United States)

Ishikawa, Shun; Okamoto, Shogo; Isogai, Kaoru; Akiyama, Yasuhiro; Yanagihara, Naomi; Yamada, Yoji

2015-01-01

Robots that simulate patients suffering from joint resistance caused by biomechanical and neural impairments are used to aid the training of physical therapists in manual examination techniques. However, there are few methods for assessing such robots. This article proposes two types of assessment measures based on typical judgments of clinicians. One of the measures involves the evaluation of how well the simulator presents different severities of a specified disease. Experienced clinicians were requested to rate the simulated symptoms in terms of severity, and the consistency of their ratings was used as a performance measure. The other measure involves the evaluation of how well the simulator presents different types of symptoms. In this case, the clinicians were requested to classify the simulated resistances in terms of symptom type, and the average ratios of their answers were used as performance measures. For both types of assessment measures, a higher index implied higher agreement among the experienced clinicians that subjectively assessed the symptoms based on typical symptom features. We applied these two assessment methods to a patient knee robot and achieved positive appraisals. The assessment measures have potential for use in comparing several patient simulators for training physical therapists, rather than as absolute indices for developing a standard.

Interactive visualization system to analyze corrugated millimeter-waveguide component of ECH in nuclear fusion with FDTD simulation

International Nuclear Information System (INIS)

Kashima, N; Nakamura, H; Kubo, S; Tamura, Y; Ito, A M

2014-01-01

We have simulated distribution of electromagnetic waves through the system composed of miter bends by Finite-Difference Time-Domain (FDTD) simulation. We develop the interactive visualization system using a new interactive GUI system which is composed of the virtual reality system and android tablet to analyze the FDTD simulation. The effect of the waveguide system with grooves have been investigated to quantitatively by visualization system. Comparing waveguide system with grooves and without grooves, grooves have been confirmed to suppress the surface current at the metal surface. The surface current at complex shape such as the miter bend have been investigated

Characterization of the Interaction between Gallic Acid and Lysozyme by Molecular Dynamics Simulation and Optical Spectroscopy

Directory of Open Access Journals (Sweden)

Minzhong Zhan

2015-07-01

Full Text Available The binding interaction between gallic acid (GA and lysozyme (LYS was investigated and compared by molecular dynamics (MD simulation and spectral techniques. The results from spectroscopy indicate that GA binds to LYS to generate a static complex. The binding constants and thermodynamic parameters were calculated. MD simulation revealed that the main driving forces for GA binding to LYS are hydrogen bonding and hydrophobic interactions. The root-mean-square deviation verified that GA and LYS bind to form a stable complex, while the root-mean-square fluctuation results showed that the stability of the GA-LYS complex at 298 K was higher than that at 310 K. The calculated free binding energies from the molecular mechanics/Poisson-Boltzmann surface area method showed that van der Waals forces and electrostatic interactions are the predominant intermolecular forces. The MD simulation was consistent with the spectral experiments. This study provides a reference for future study of the pharmacological mechanism of GA.

Final Report. Coupled simulations of Antarctic Ice-sheet/ocean interactions using POP and CISM

Energy Technology Data Exchange (ETDEWEB)

Asay-Davis, Xylar Storm [Potsdam Institute for Climate Impact Research, Potdam (Germany)

2015-12-30

The project performed under this award, referred to from here on as CLARION (CoupLed simulations of Antarctic Ice-sheet/Ocean iNteractions), included important advances in two models of ice sheet and ocean interactions. Despite its short duration (one year), the project made significant progress on its three major foci. First, together with collaborator Daniel Martin at Lawrence Berkeley National Laboratory (LBNL), I developed the POPSICLES coupled ice sheet-ocean model to the point where it could perform a number of pan-Antarctic simulations under various forcing conditions. The results were presented at a number of major conferences and workshops worldwide, and are currently being incorporated into two manuscripts in preparation.

Intrinsic anharmonic effects on the phonon frequencies and effective spin-spin interactions in a quantum simulator made from trapped ions in a linear Paul trap

Science.gov (United States)

McAneny, M.; Freericks, J. K.

2014-11-01

The Coulomb repulsion between ions in a linear Paul trap gives rise to anharmonic terms in the potential energy when expanded about the equilibrium positions. We examine the effect of these anharmonic terms on the accuracy of a quantum simulator made from trapped ions. To be concrete, we consider a linear chain of Yb171+ ions stabilized close to the zigzag transition. We find that for typical experimental temperatures, frequencies change by no more than a factor of 0.01 % due to the anharmonic couplings. Furthermore, shifts in the effective spin-spin interactions (driven by a spin-dependent optical dipole force) are also, in general, less than 0.01 % for detunings to the blue of the transverse center-of-mass frequency. However, detuning the spin interactions near other frequencies can lead to non-negligible anharmonic contributions to the effective spin-spin interactions. We also examine an odd behavior exhibited by the harmonic spin-spin interactions for a range of intermediate detunings, where nearest-neighbor spins with a larger spatial separation on the ion chain interact more strongly than nearest neighbors with a smaller spatial separation.

Boundary Slip and Surface Interaction: A Lattice Boltzmann Simulation

International Nuclear Information System (INIS)

Yan-Yan, Chen; Hua-Bing, Li; Hou-Hui, Yi

2008-01-01

The factors affecting slip length in Couette geometry flows are analysed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactions. The main factors influencing the boundary slip are the strength of interactions between fluid-fluid and fluid-wall particles. Other factors, such as fluid viscosity, bulk pressure may also change the slip length. We find that boundary slip only occurs under a certain density (bulk pressure). If the density is large enough, the slip length will tend to zero. In our simulations, a low density layer near the wall does not need to be postulated a priori but emerges naturally from the underlying non-ideal mesoscopic dynamics. It is the low density layer that induces the boundary slip. The results may be helpful to understand recent experimental observations on the slippage of micro flows

SIMULATION AND INVESTIGATION OF TIRE TREAD BLOCKS INTERACTION WITH ICE

Directory of Open Access Journals (Sweden)

Andrius Ružinskas

2017-12-01

Full Text Available The car tire is an essential subject analysing its interaction with the road. From tire’s tread condition, geometry and rubber compound depends grip and vehicle stability. This is especially relevant in winter time, when roads are covered with the layer of snow or ice. Generally, new tires are tested in real traffic conditions using vehicles. However, ensuring these conditions requires many resources and sometimes it could be a big challenge. For this reason, simulation of the tire interaction with the road becomes more important in nowadays tire researches. Since the tire is a complex engineering subject, the tire tread blocks could be separated for individual analysis. The interaction between the dry ice and the tread block with sipes was analysed using finite element analysis. The tread block was described using hyperelastic Mooney­Rivlin material model. The deformations, distribution of the contact pressure and shear stresses were obtained for the soft and hard rubber compounds with different vertical load conditions. Also a solid tread block interaction was analysed and it was found that values of contact pressure and shear stresses are much lower comparing to siped tread block.

Simulations of collisions between N-body classical systems in interaction

International Nuclear Information System (INIS)

Morisseau, Francois

2006-05-01

The Classical N-body Dynamics (CNBD) is dedicated to the simulation of collisions between classical systems. The 2-body interaction used here has the properties of the Van der Waals potential and depends on just a few parameters. This work has two main goals. First, some theoretical approaches assume that the dynamical stage of the collisions plays an important role. Moreover, colliding nuclei are supposed to present a 1. order liquid-gas phase transition. Several signals have been introduced to show this transition. We have searched for two of them: the bimodality of the mass asymmetry and negative heat capacity. We have found them and we give an explanation of their presence in our calculations. Second, we have improved the interaction by adding a Coulomb like potential and by taking into account the stronger proton-neutron interaction in nuclei. Then we have figured out the relations that exist between the parameters of the 2-body interaction and the properties of the systems. These studies allow us to fit the properties of the classical systems to those of the nuclei. In this manuscript the first results of this fit are shown. (author)

Fluid-structure interaction dynamic simulation of spring-loaded pressure relief valves under seismic wave

Science.gov (United States)

Lv, Dongwei; Zhang, Jian; Yu, Xinhai

2018-05-01

In this paper, a fluid-structure interaction dynamic simulation method of spring-loaded pressure relief valve was established. The dynamic performances of the fluid regions and the stress and strain of the structure regions were calculated at the same time by accurately setting up the contact pairs between the solid parts and the coupling surfaces between the fluid regions and the structure regions. A two way fluid-structure interaction dynamic simulation of a simplified pressure relief valve model was carried out. The influence of vertical sinusoidal seismic waves on the performance of the pressure relief valve was preliminarily investigated by loading sine waves. Under vertical seismic waves, the pressure relief valve will flutter, and the reseating pressure was affected by the amplitude and frequency of the seismic waves. This simulation method of the pressure relief valve under vertical seismic waves can provide effective means for investigating the seismic performances of the valves, and make up for the shortcomings of the experiment.

Simulating the interaction of jets with the intracluster medium

Science.gov (United States)

Weinberger, Rainer; Ehlert, Kristian; Pfrommer, Christoph; Pakmor, Rüdiger; Springel, Volker

2017-10-01

Jets from supermassive black holes in the centres of galaxy clusters are a potential candidate for moderating gas cooling and subsequent star formation through depositing energy in the intracluster gas. In this work, we simulate the jet-intracluster medium interaction using the moving-mesh magnetohydrodynamics code arepo. Our model injects supersonic, low-density, collimated and magnetized outflows in cluster centres, which are then stopped by the surrounding gas, thermalize and inflate low-density cavities filled with cosmic rays. We perform high-resolution, non-radiative simulations of the lobe creation, expansion and disruption, and find that its dynamical evolution is in qualitative agreement with simulations of idealized low-density cavities that are dominated by a large-scale Rayleigh-Taylor instability. The buoyant rising of the lobe does not create energetically significant small-scale chaotic motion in a volume-filling fashion, but rather a systematic upward motion in the wake of the lobe and a corresponding back-flow antiparallel to it. We find that, overall, 50 per cent of the injected energy ends up in material that is not part of the lobe, and about 25 per cent remains in the inner 100 kpc. We conclude that jet-inflated, buoyantly rising cavities drive systematic gas motions that play an important role in heating the central regions, while mixing of lobe material is subdominant. Encouragingly, the main mechanisms responsible for this energy deposition can be modelled already at resolutions within reach in future, high-resolution cosmological simulations of galaxy clusters.

Cation-pi interactions stabilize the structure of the antimicrobial peptide indolicidin near membranes: molecular dynamics simulations

DEFF Research Database (Denmark)

Khandelia, Himanshu; Kaznessis, Yiannis N

2007-01-01

We implemented molecular dynamics simulations of the 13-residue antimicrobial peptide indolicidin (ILPWKWPWWPWRR-NH2) in dodecylphosphocholine (DPC) and sodium dodecyl sulfate (SDS) micelles. In DPC, a persistent cation-pi interaction between TRP11 and ARG13 defined the structure of the peptide...... near the interface. A transient cation-pi interaction was also observed between TRP4 and the choline group on DPC lipids. We also implemented simulation of a mutant of indolicidin in the DPC micelle where TRP11 was replaced by ALA11. As a result of the mutation, the boat-shaped conformation is lost...... and the structure becomes significantly less defined. On the basis of this evidence, we argue that cation-pi interactions determine the experimentally measured, well-defined boat-shaped structure of indolicidin. In SDS, the lack of such interactions and the electrostatic binding of the terminal arginine residues...

Examining the Interaction of Taxi and Subway Ridership for Sustainable Urbanization

Directory of Open Access Journals (Sweden)

Miaoyi Li

2017-02-01

Full Text Available A transit ridership study is an essential part of sustainability, and can provide a deep understanding of people’s travel patterns for efficient transportation development and urbanization. However, there is a lack of empirical studies comparing subway and taxi services, and their interactions within a city, that is to say, the interdependent transportation networks. Incorporating new data, this study aims to examine the spatial variation of urban taxi ridership due to the impacts of a new subway line operation opened in 2014 in Wuxi, China. We examine the spatial patterns and interactions of ridership in Wuxi by integrating taxi trajectory from GPS data and subway data from continuously collected fare transactions. The results indicated that the demand for taxi and subway usage is quite elastic with respect to both location and time, and the new subway’s opening had more influence on areas adjacent to subway stations and urban center-suburban travel. Furthermore, increases in travel time and distance would increase the demand for subway, while taxi trips largely represented movements for those locations that the subway could not reach. This paper betters the understanding of travel patterns through large volumes of transportation data for sustainable urbanization policy design.

Hydrodynamical simulations of the stream-core interaction in the slow merger of massive stars

Science.gov (United States)

Ivanova, N.; Podsiadlowski, Ph.; Spruit, H.

2002-08-01

We present detailed simulations of the interaction of a stream emanating from a mass-losing secondary with the core of a massive supergiant in the slow merger of two stars inside a common envelope. The dynamics of the stream can be divided into a ballistic phase, starting at the L1 point, and a hydrodynamical phase, where the stream interacts strongly with the core. Considering the merger of a 1- and 5-Msolar star with a 20-Msolar evolved supergiant, we present two-dimensional hydrodynamical simulations using the PROMETHEUS code to demonstrate how the penetration depth and post-impact conditions depend on the initial properties of the stream material (e.g. entropy, angular momentum, stream width) and the properties of the core (e.g. density structure and rotation rate). Using these results, we present a fitting formula for the entropy generated in the stream-core interaction and a recipe for the determination of the penetration depth based on a modified Bernoulli integral.

Do Simulation-Based Skill Exercises and Post-Encounter Notes Add Additional Value to a Standardized Patient-Based Clinical Skills Examination?

Directory of Open Access Journals (Sweden)

Michael D. Prislin

2011-01-01

Full Text Available Background. Standardized patient (SP clinical assessments have limited utility in assessing higher-level clinical competencies. This study explores the value of including simulation exercises and postencounter notes in an SP clinical skills examination. Methods. Two exercises involving cardiac auscultation and ophthalmic funduscopy simulations along with written post encounter notes were added to an SP-based performance examination. Descriptive analyses of students' performance and correlations with SP-based performance measures were obtained. Results. Students' abilities to detect abnormalities on physical exam were highly variable. There were no correlations between SP-based and simulation-derived measures of physical examination competency. Limited correlations were found between students' abilities to perform and document physical examinations and their formulation of appropriate differential diagnoses. Conclusions. Clinical simulation exercises add depth to SP-based assessments of performance. Evaluating the content of post encounter notes offers some insight into students' integrative abilities, and this appears to be improved by the addition of simulation-based post encounter skill exercises. However, further refinement of this methodology is needed.

Fokker-Planck simulations of interactions of femtosecond laser pulses with dense plasmas

International Nuclear Information System (INIS)

Drska, L.; Limpouch, J.; Liska, R.

1993-01-01

The interaction of femtosecond laser pulses with fully ionized solid-state density plasmas in the regime of the normal skin effect was investigated by means of numerical simulation. For short wavelength lasers and 120 fs FWHM laser pulses the regime of normal skin effect is shown to hold for peak intensities up to 10 17 W/cm 2 . Basic characteristics of the interaction are revealed and certain departures of the electron distribution function, of the plasma dielectric constant and of laser absorption from simplistic models are pointed out. (author) 1 tab., 4 figs., 14 refs

The selective interaction between silica nanoparticles and enzymes from molecular dynamics simulations.

Directory of Open Access Journals (Sweden)

Xiaotian Sun

Full Text Available Nanoscale particles have become promising materials in many fields, such as cancer therapeutics, diagnosis, imaging, drug delivery, catalysis, as well as biosensors. In order to stimulate and facilitate these applications, there is an urgent need for the understanding of the interaction mode between the nano-particles and proteins. In this study, we investigate the orientation and adsorption between several enzymes (cytochrome c, RNase A, lysozyme and 4 nm/11 nm silica nanoparticles (SNPs by using molecular dynamics (MD simulation. Our results show that three enzymes are adsorbed onto the surfaces of both 4 nm and 11 nm SNPs during our MD simulations and the small SNPs induce greater structural stabilization. The active site of cytochrome c is far away from the surface of 4 nm SNPs, while it is adsorbed onto the surface of 11 nm SNPs. We also explore the influences of different groups (-OH, -COOH, -NH2 and CH3 coated onto silica nanoparticles, which show significantly different impacts. Our molecular dynamics results indicate the selective interaction between silicon nanoparticles and enzymes, which is consistent with experimental results. Our study provides useful guides for designing/modifying nanomaterials to interact with proteins for their bio-applications.

Compact X-ray sources. Simulating the electron/strong laser interaction

Energy Technology Data Exchange (ETDEWEB)

Hartin, Anthony [DESY, CFEL, Hamburg (Germany)

2016-07-01

The collision of an intense laser with an electron bunch can be used to produce X-rays via the inverse Compton scattering (ICS) mechanism. The ICS can be simulated via either a classical theory in which electrons and photons are treated in terms of classical electromagnetic waves - or a quantum theory in which charged particles interact with strong electromagnetic fields. The laser intensity used in a practical ICS collision is likely to be at such a level that quantum effects may be significant and the use of quantum theory may become a necessity. A simulation study is presented here comparing the classical and quantum approaches to the ICS. A custom particle-in-cell (PIC) software code, with photon generation by monte carlo of the exact quantum transition probability is used to simulate the quantum treatment. Peak resonant energies and the angular distribution of the X-rays are obtained and compared with those predicted by the classical theory. The conditions under which significant differences between the two theories emerges is obtained.

Large-eddy simulation of wind turbine wake interactions on locally refined Cartesian grids

Science.gov (United States)

Angelidis, Dionysios; Sotiropoulos, Fotis

2014-11-01

Performing high-fidelity numerical simulations of turbulent flow in wind farms remains a challenging issue mainly because of the large computational resources required to accurately simulate the turbine wakes and turbine/turbine interactions. The discretization of the governing equations on structured grids for mesoscale calculations may not be the most efficient approach for resolving the large disparity of spatial scales. A 3D Cartesian grid refinement method enabling the efficient coupling of the Actuator Line Model (ALM) with locally refined unstructured Cartesian grids adapted to accurately resolve tip vortices and multi-turbine interactions, is presented. Second order schemes are employed for the discretization of the incompressible Navier-Stokes equations in a hybrid staggered/non-staggered formulation coupled with a fractional step method that ensures the satisfaction of local mass conservation to machine zero. The current approach enables multi-resolution LES of turbulent flow in multi-turbine wind farms. The numerical simulations are in good agreement with experimental measurements and are able to resolve the rich dynamics of turbine wakes on grids containing only a small fraction of the grid nodes that would be required in simulations without local mesh refinement. This material is based upon work supported by the Department of Energy under Award Number DE-EE0005482 and the National Science Foundation under Award number NSF PFI:BIC 1318201.

A simulation study on estimating biomarker-treatment interaction effects in randomized trials with prognostic variables.

Science.gov (United States)

Haller, Bernhard; Ulm, Kurt

2018-02-20

To individualize treatment decisions based on patient characteristics, identification of an interaction between a biomarker and treatment is necessary. Often such potential interactions are analysed using data from randomized clinical trials intended for comparison of two treatments. Tests of interactions are often lacking statistical power and we investigated if and how a consideration of further prognostic variables can improve power and decrease the bias of estimated biomarker-treatment interactions in randomized clinical trials with time-to-event outcomes. A simulation study was performed to assess how prognostic factors affect the estimate of the biomarker-treatment interaction for a time-to-event outcome, when different approaches, like ignoring other prognostic factors, including all available covariates or using variable selection strategies, are applied. Different scenarios regarding the proportion of censored observations, the correlation structure between the covariate of interest and further potential prognostic variables, and the strength of the interaction were considered. The simulation study revealed that in a regression model for estimating a biomarker-treatment interaction, the probability of detecting a biomarker-treatment interaction can be increased by including prognostic variables that are associated with the outcome, and that the interaction estimate is biased when relevant prognostic variables are not considered. However, the probability of a false-positive finding increases if too many potential predictors are included or if variable selection is performed inadequately. We recommend undertaking an adequate literature search before data analysis to derive information about potential prognostic variables and to gain power for detecting true interaction effects and pre-specifying analyses to avoid selective reporting and increased false-positive rates.

Jointly they edit: examining the impact of community identification on political interaction in Wikipedia.

Directory of Open Access Journals (Sweden)

Jessica J Neff

Full Text Available BACKGROUND: In their 2005 study, Adamic and Glance coined the memorable phrase 'divided they blog', referring to a trend of cyberbalkanization in the political blogosphere, with liberal and conservative blogs tending to link to other blogs with a similar political slant, and not to one another. As political discussion and activity increasingly moves online, the power of framing political discourses is shifting from mass media to social media. METHODOLOGY/PRINCIPAL FINDINGS: Continued examination of political interactions online is critical, and we extend this line of research by examining the activities of political users within the Wikipedia community. First, we examined how users in Wikipedia choose to display their political affiliation. Next, we analyzed the patterns of cross-party interaction and community participation among those users proclaiming a political affiliation. In contrast to previous analyses of other social media, we did not find strong trends indicating a preference to interact with members of the same political party within the Wikipedia community. CONCLUSIONS/SIGNIFICANCE: Our results indicate that users who proclaim their political affiliation within the community tend to proclaim their identity as a 'Wikipedian' even more loudly. It seems that the shared identity of 'being Wikipedian' may be strong enough to triumph over other potentially divisive facets of personal identity, such as political affiliation.

Jointly They Edit: Examining the Impact of Community Identification on Political Interaction in Wikipedia

Science.gov (United States)

Neff, Jessica J.; Laniado, David; Kappler, Karolin E.; Volkovich, Yana; Aragón, Pablo; Kaltenbrunner, Andreas

2013-01-01

Background In their 2005 study, Adamic and Glance coined the memorable phrase ‘divided they blog’, referring to a trend of cyberbalkanization in the political blogosphere, with liberal and conservative blogs tending to link to other blogs with a similar political slant, and not to one another. As political discussion and activity increasingly moves online, the power of framing political discourses is shifting from mass media to social media. Methodology/Principal Findings Continued examination of political interactions online is critical, and we extend this line of research by examining the activities of political users within the Wikipedia community. First, we examined how users in Wikipedia choose to display their political affiliation. Next, we analyzed the patterns of cross-party interaction and community participation among those users proclaiming a political affiliation. In contrast to previous analyses of other social media, we did not find strong trends indicating a preference to interact with members of the same political party within the Wikipedia community. Conclusions/Significance Our results indicate that users who proclaim their political affiliation within the community tend to proclaim their identity as a ‘Wikipedian’ even more loudly. It seems that the shared identity of ‘being Wikipedian’ may be strong enough to triumph over other potentially divisive facets of personal identity, such as political affiliation. PMID:23573269

Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.

Science.gov (United States)

Fischer, Nina M; van Maaren, Paul J; Ditz, Jonas C; Yildirim, Ahmet; van der Spoel, David

2015-07-14

In order to increase the accuracy of classical computer simulations, existing methodologies may need to be adapted. Hitherto, most force fields employ a truncated potential function to model van der Waals interactions, sometimes augmented with an analytical correction. Although such corrections are accurate for homogeneous systems with a long cutoff, they should not be used in inherently inhomogeneous systems such as biomolecular and interface systems. For such cases, a variant of the particle mesh Ewald algorithm (Lennard-Jones PME) was already proposed 20 years ago (Essmann et al. J. Chem. Phys. 1995, 103, 8577-8593), but it was implemented only recently (Wennberg et al. J. Chem. Theory Comput. 2013, 9, 3527-3537) in a major simulation code (GROMACS). The availability of this method allows surface tensions of liquids as well as bulk properties to be established, such as density and enthalpy of vaporization, without approximations due to truncation. Here, we report on simulations of ≈150 liquids (taken from a force field benchmark: Caleman et al. J. Chem. Theory Comput. 2012, 8, 61-74) using three different force fields and compare simulations with and without explicit long-range van der Waals interactions. We find that the density and enthalpy of vaporization increase for most liquids using the generalized Amber force field (GAFF, Wang et al. J. Comput. Chem. 2004, 25, 1157-1174) and the Charmm generalized force field (CGenFF, Vanommeslaeghe et al. J. Comput. Chem. 2010, 31, 671-690) but less so for OPLS/AA (Jorgensen and Tirado-Rives, Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6665-6670), which was parametrized with an analytical correction to the van der Waals potential. The surface tension increases by ≈10(-2) N/m for all force fields. These results suggest that van der Waals attractions in force fields are too strong, in particular for the GAFF and CGenFF. In addition to the simulation results, we introduce a new version of a web server, http

Real time Monte Carlo simulation for evaluation of patient doses involved in radiological examinations

Energy Technology Data Exchange (ETDEWEB)

Fulea, D. [Institute of Public Health ' Prof.Dr.Iuliu Moldovan' , Cluj-Napoca (Romania); Cosma, C. [Babes-Bolyai Univ., Faculty of Physics, Cluj-Napoca (Romania)

2006-07-01

In order to apply the Monte Carlo simulation technique for usual radiological examinations we developed a Pc program, 'IradMed', written entirely in Java. The main purpose of this program is to compute the organ doses and the effective dose of patients, which are exposed at a X-ray beam having photon energies in 10 to 150 keV radiodiagnostic range. Three major radiological procedures are considered, namely mammography, radiography and CT. The fluoroscopy implies an irregular geometry and therefore it is neglected. Nevertheless, a gross estimation of patient doses can be made taking into account the fluoroscopy as being composed of several radiographic examinations applied in different anatomical regions. The interactions between radiation and matter are well-known, and the accuracy of the calculation is limited by the accuracy of the anatomical model used to describe actual patients and by characterisation of the radiation field applied. In this version of IradMed, it is assumed that the absorbed dose is equal with kerma for all tissues. No procedure has been used to take account of the finite range of the secondary electrons that are produced by photoelectric or Compton interactions. These ranges are small compared with the dimensions of the organs, and the absorbed dose will not change abruptly with distance except at boundary where composition and density change. However these boundary effects would have little effect in the determination of the average doses to almost all organs, except the active bone marrow which is treated separately. Another justification for this kerma approximation is the fact that the sum of all electron energies that exit the organ is statistically equal with the sum of all electron energies that enter in that particular organ. In this version of program, it is considered the following interactions: the Rayleigh scattering, the Compton scattering and the photoelectric effect. The Compton scattering is modeled by several

AXISYMMETRIC SIMULATIONS OF HOT JUPITER–STELLAR WIND HYDRODYNAMIC INTERACTION

International Nuclear Information System (INIS)

Christie, Duncan; Arras, Phil; Li, Zhi-Yun

2016-01-01

Gas giant exoplanets orbiting at close distances to the parent star are subjected to large radiation and stellar wind fluxes. In this paper, hydrodynamic simulations of the planetary upper atmosphere and its interaction with the stellar wind are carried out to understand the possible flow regimes and how they affect the Lyα transmission spectrum. Following Tremblin and Chiang, charge exchange reactions are included to explore the role of energetic atoms as compared to thermal particles. In order to understand the role of the tail as compared to the leading edge of the planetary gas, the simulations were carried out under axisymmetry, and photoionization and stellar wind electron impact ionization reactions were included to limit the extent of the neutrals away from the planet. By varying the planetary gas temperature, two regimes are found. At high temperature, a supersonic planetary wind is found, which is turned around by the stellar wind and forms a tail behind the planet. At lower temperatures, the planetary wind is shut off when the stellar wind penetrates inside where the sonic point would have been. In this regime mass is lost by viscous interaction at the boundary between planetary and stellar wind gases. Absorption by cold hydrogen atoms is large near the planetary surface, and decreases away from the planet as expected. The hot hydrogen absorption is in an annulus and typically dominated by the tail, at large impact parameter, rather than by the thin leading edge of the mixing layer near the substellar point

AXISYMMETRIC SIMULATIONS OF HOT JUPITER–STELLAR WIND HYDRODYNAMIC INTERACTION

Energy Technology Data Exchange (ETDEWEB)

Christie, Duncan; Arras, Phil; Li, Zhi-Yun [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States)

2016-03-20

Gas giant exoplanets orbiting at close distances to the parent star are subjected to large radiation and stellar wind fluxes. In this paper, hydrodynamic simulations of the planetary upper atmosphere and its interaction with the stellar wind are carried out to understand the possible flow regimes and how they affect the Lyα transmission spectrum. Following Tremblin and Chiang, charge exchange reactions are included to explore the role of energetic atoms as compared to thermal particles. In order to understand the role of the tail as compared to the leading edge of the planetary gas, the simulations were carried out under axisymmetry, and photoionization and stellar wind electron impact ionization reactions were included to limit the extent of the neutrals away from the planet. By varying the planetary gas temperature, two regimes are found. At high temperature, a supersonic planetary wind is found, which is turned around by the stellar wind and forms a tail behind the planet. At lower temperatures, the planetary wind is shut off when the stellar wind penetrates inside where the sonic point would have been. In this regime mass is lost by viscous interaction at the boundary between planetary and stellar wind gases. Absorption by cold hydrogen atoms is large near the planetary surface, and decreases away from the planet as expected. The hot hydrogen absorption is in an annulus and typically dominated by the tail, at large impact parameter, rather than by the thin leading edge of the mixing layer near the substellar point.

3D FE simulation of PCMI (Pellet-Cladding Mechanical Interaction) considering frictionless contact

International Nuclear Information System (INIS)

Seo, Sang-Kyu; Lee, Sung-Uk; Lee, Eun-Ho; Yang, Dong-Yol; Kim, Hyo-Chan; Yang, Yong-Sik

2014-01-01

The goal of this code is coupling every aspect of physical phenomenon. Monodimensional FE model has been made for METEOR. It is good to evaluate the global behavior in high burn up levels. However, the multi-dimensional PCI analysis code is necessary to precisely analyze the stress distribution especially in case of the crack analysis. CAST3M 3D finite element code has been developed considering thermo-mechanical interaction in detail for TOUTATIS code. The advanced multidimensional code called ALCYONE has been developed considering chemical-physics and thermomechanical aspects. Although there are many codes that analyze pellet and cladding interaction, it is difficult to consider every physical aspect. In this paper, pellet to cladding mechanical interaction in 3D has been simulated with frictionless contact using the developed module, which is written in FORTRANN90. In this paper, 3D PCMI FE model is simulated with frictionless contact and elastic deformation. From the frictionless contact analysis, the interfacial pressure has been calculated and then this is used to obtain the solid heat coefficient which is a main factor to analyze the thermal distribution

Simulating the fluid-structure interaction of a flexible tube in an array of rigid tubes

International Nuclear Information System (INIS)

Warnica, D.; Maleki, M.; Hariri, A.; Feldman, H.

2011-01-01

Two important single-phase mechanisms for flow-induced vibration of heat-exchanger tube bundles were used to demonstrate the capabilities of commercial software to simulate unsteady fluid-structure interactions (FSI). Reasonable agreement was obtained between the FSI simulations and experimental data for the onset of fluid elastic instability. There was also reasonable agreement between the FSI simulations and empirical correlations for the dynamic tube response to random turbulence excitation. Additional benefits of performing FSI simulations were the ability to characterize important features of the unsteady flow fields and hydrodynamic parameters such as viscous damping coefficients, which would otherwise require elaborate experimental measurements. (author)

Cometary jets in interaction with the solar wind: a hybrid simulation study

Science.gov (United States)

Wiehle, Stefan; Motschmann, Uwe; Gortsas, Nikolaos; Mueller, Joachim; Kriegel, Hendrik; Koenders, Christoph; Glassmeier, Karl-Heinz

The effect of a cometary jet on the solar wind interaction is studied using comet 67P/Churyumov-Gerasimenko as case study. This comet is the target of the Rosetta-mission which will arrive in 2014. Observations suggest that cometary outgassing is confined to only a few percent of the cometary surface; thus, the measurement of jets is expected. Most former comet simulations did not attend to this fact and used an isotropic outgassing scheme or simplified outgassing patterns. Here, a single sun-facing jet is set to be the only source of cometary gas produc-tion. Using an analytic profile, this outgassing jet was implemented in a hybrid simulation code which treats protons and cometary heavy ions as particles and electrons as massless fluid. In a simulation series, the geometric parameters of the jet were varied to study the effect of different opening angles while the integrated outgassing rate remained constant. It was shown that the resulting solar wind interaction is highly dependent on the geometry of the jet. The plasma-structures like the solar wind pile-up found in the situation with isotropic outgassing are moved more and more sunward as the opening angle of the jet decreases. Furthermore, the cometary ion tail shows some kind of splitting which is not known from isotropic models.

Simulation of water-rock interaction in the yellowstone geothermal system using TOUGHREACT

International Nuclear Information System (INIS)

Dobson, P.F.; Salah, S.; Spycher, N.; Sonnenthal, E.

2003-01-01

The Yellowstone geothermal system provides an ideal opportunity to test the ability of reactive transport models to accurately simulate water-rock interaction. Previous studies of the Yellowstone geothermal system have characterized water-rock interaction through analysis of rocks and fluids obtained from both surface and downhole samples. Fluid chemistry, rock mineralogy, permeability, porosity, and thermal data obtained from the Y-8 borehole in Upper Geyser Basin were used to constrain a series of reactive transport simulations of the Yellowstone geothermal system using TOUGHREACT. Three distinct stratigraphic units were encountered in the 153.4 m deep Y-8 drill core: volcaniclastic sandstone, perlitic rhyolitic lava, and nonwelded pumiceous tuff. The main alteration phases identified in the Y-8 core samples include clay minerals, zeolites, silica polymorphs, adularia, and calcite. Temperatures observed in the Y-8 borehole increase with depth from sub-boiling conditions at the surface to a maximum of 169.8 C at a depth of 104.1 m, with near-isothermal conditions persisting down to the well bottom. 1-D models of the Y-8 core hole were constructed to determine if TOUGHREACT could accurately predict the observed alteration mineral assemblage given the initial rock mineralogy and observed fluid chemistry and temperatures. Preliminary simulations involving the perlitic rhyolitic lava unit are consistent with the observed alteration of rhyolitic glass to form celadonite

Challenges of Critical Colleagueship: Examining and Reflecting on Mathematics Teacher Study Group Interactions

Science.gov (United States)

Males, Lorraine M.; Otten, Samuel; Herbel-Eisenmann, Beth A.

2010-01-01

This article examines mathematics teacher collegiality by focusing on both the ways in which teachers interacted as critical colleagues in a long-term professional development project and the evolving role of the teacher-educator-researcher as the facilitator of this project. The professional development collaboration comprised two phases: one…

FANSY 1.0: a phenomenological model for simulation of coplanar particle generation in superhigh-energy hadron interactions

International Nuclear Information System (INIS)

Mukhamedshin, Rauf

2009-01-01

Simulations show that a phenomenon of coplanarity of most energetic subcores of γ-ray-hadron families found in mountain-based and stratospheric X-ray-emulsion chamber experiments requires to introduce a coplanar particle generation with large transverse momenta in hadron interactions at superhigh energies. Some physical mechanisms are considered. A phenomenological model, which makes it possible to simulate the coplanar particle generation, is presented. Different versions of this model are considered, their features are described and compared with those of models applied by the CORSIKA package. Cosmic-ray experimental data and simulated results are compared. Conclusion on features of hadron interactions at superhigh energies and some predictions with respect to LHC experiments are made. (orig.) 3

Interactive Pre-Simulation Strategies: Engaging Students in Experiential Learning from the Start

Directory of Open Access Journals (Sweden)

Beverly J. D. Bye

2014-02-01

Full Text Available Decrease in clinical nursing facilities created a need to develop supplemental real-life patient scenarios outside of the traditional nursing units. Over the past five years, there has been a dramatic increase in the number of simulation exercises integrated into the clinical and classroom aspect of nursing education. However, many students are not engaged and are not effectively participating in the simulation. Many students state they are perplexed and do not understand the purpose and roles of simulation, and often do not take it seriously. The challenge to nurse educators is to develop realistic goals and objectives with a variety of activities that occur prior to the actual simulation experience Debriefing is one of the most important aspects of the simulation activity, but if students are not participating, then the learning is not occurring. The key with simulation is to engage students through the use of various strategies that incorporate visual, auditory, tactile, and cognitive learning prior to the simulation experience. This study investigated the use of interactive pre-simulation strategies such as concept mapping, group discussion, teaching, and body mapping prior to the simulation experience. The focus of this research was on student success and knowledge acquisition. The most important overall goal is to engage students prior to the simulation experience in a safe, nonthreatening learning environment in order to allay students' fear of failure and ultimately increase knowledge, retention, and critical thinking. Results of the study have implications on the development and integration of innovative teaching pedagogies.

Interactive ozone and methane chemistry in GISS-E2 historical and future climate simulations

Directory of Open Access Journals (Sweden)

D. T. Shindell

2013-03-01

Full Text Available The new generation GISS climate model includes fully interactive chemistry related to ozone in historical and future simulations, and interactive methane in future simulations. Evaluation of ozone, its tropospheric precursors, and methane shows that the model captures much of the large-scale spatial structure seen in recent observations. While the model is much improved compared with the previous chemistry-climate model, especially for ozone seasonality in the stratosphere, there is still slightly too rapid stratospheric circulation, too little stratosphere-to-troposphere ozone flux in the Southern Hemisphere and an Antarctic ozone hole that is too large and persists too long. Quantitative metrics of spatial and temporal correlations with satellite datasets as well as spatial autocorrelation to examine transport and mixing are presented to document improvements in model skill and provide a benchmark for future evaluations. The difference in radiative forcing (RF calculated using modeled tropospheric ozone versus tropospheric ozone observed by TES is only 0.016 W m−2. Historical 20th Century simulations show a steady increase in whole atmosphere ozone RF through 1970 after which there is a decrease through 2000 due to stratospheric ozone depletion. Ozone forcing increases throughout the 21st century under RCP8.5 owing to a projected recovery of stratospheric ozone depletion and increases in methane, but decreases under RCP4.5 and 2.6 due to reductions in emissions of other ozone precursors. RF from methane is 0.05 to 0.18 W m−2 higher in our model calculations than in the RCP RF estimates. The surface temperature response to ozone through 1970 follows the increase in forcing due to tropospheric ozone. After that time, surface temperatures decrease as ozone RF declines due to stratospheric depletion. The stratospheric ozone depletion also induces substantial changes in surface winds and the Southern Ocean circulation, which may play a role in

Social interaction, globalization and computer-aided analysis a practical guide to developing social simulation

CERN Document Server

Osherenko, Alexander

2014-01-01

This thorough, multidisciplinary study discusses the findings of social interaction and social simulation using understandable global examples. Shows the reader how to acquire intercultural data, illustrating each step with descriptive comments and program code.

IST BENOGO (IST – 2001-39184) Deliverable 4.2.2: "Interactive" sound augmentation as room simulation

DEFF Research Database (Denmark)

Nordahl, Rolf

This document describes a special approach to room simulation. Sound created by the user’s own activity and interaction with the room and reflecting characteristics of the room, may support the feeling of presence. We pursue this hypothesis by 1) generating the sound of footsteps induced by the u......This document describes a special approach to room simulation. Sound created by the user’s own activity and interaction with the room and reflecting characteristics of the room, may support the feeling of presence. We pursue this hypothesis by 1) generating the sound of footsteps induced...... to ensure the desired effect....

An improved simulation routine for modelling coherent high-energy proton interactions with bent crystals

CERN Document Server

Forcher, Francesco; Redaelli, Stefano; Zanetti, Marco; CERN. Geneva. ATS Department

2018-01-01

The planes in crystalline solids can constrain the directions that charged particles take as they pass through. Physicists can use this "channelling" property of crystals to steer particle beams. In a bent crystal, for example, channelled particles follow the bend and can change their direction. Several studies are on-going at CERN to verify the possibility of using bent crystals as primary collimators in high energy hadron colliders like the LHC. Simulations have been developed to model the coherent interaction with crystalline planes. The goal of this note is to analyze the data collected on extracted beam from the SPS and develop an improved model to simulate the data’s subtleties, in particular the transition between the volume reflection and amorphous interactions of the beam with crystals.

Investigation of wake interaction using full-scale lidar measurements and large eddy simulation

DEFF Research Database (Denmark)

Machefaux, Ewan; Larsen, Gunner Chr.; Troldborg, Niels

2016-01-01

dynamics flow solver, using large eddy simulation and fully turbulent inflow. The rotors are modelled using the actuator disc technique. A mutual validation of the computational fluid dynamics model with the measurements is conducted for a selected dataset, where wake interaction occurs. This validation...

An activity theory perspective of how scenario-based simulations support learning: a descriptive analysis.

Science.gov (United States)

Battista, Alexis

2017-01-01

The dominant frameworks for describing how simulations support learning emphasize increasing access to structured practice and the provision of feedback which are commonly associated with skills-based simulations. By contrast, studies examining student participants' experiences during scenario-based simulations suggest that learning may also occur through participation. However, studies directly examining student participation during scenario-based simulations are limited. This study examined the types of activities student participants engaged in during scenario-based simulations and then analyzed their patterns of activity to consider how participation may support learning. Drawing from Engeström's first-, second-, and third-generation activity systems analysis, an in-depth descriptive analysis was conducted. The study drew from multiple qualitative methods, namely narrative, video, and activity systems analysis, to examine student participants' activities and interaction patterns across four video-recorded simulations depicting common motivations for using scenario-based simulations (e.g., communication, critical patient management). The activity systems analysis revealed that student participants' activities encompassed three clinically relevant categories, including (a) use of physical clinical tools and artifacts, (b) social interactions, and (c) performance of structured interventions. Role assignment influenced participants' activities and the complexity of their engagement. Importantly, participants made sense of the clinical situation presented in the scenario by reflexively linking these three activities together. Specifically, student participants performed structured interventions, relying upon the use of physical tools, clinical artifacts, and social interactions together with interactions between students, standardized patients, and other simulated participants to achieve their goals. When multiple student participants were present, such as in a

Simulation of pellet-cladding thermomechanical interaction and fission gas release

International Nuclear Information System (INIS)

Denis, Alicia; Soba, Alejandro

2003-01-01

This paper summarizes the present status of a computer code that describes some of the main phenomena occurring in a nuclear fuel rod throughout its life. Temperature distribution, thermal expansion, elastic and plastic strains, creep, mechanical interaction between pellet and cladding, fission gas release, gas mixing, swelling, and densification are modeled. The modular structure of the code allows for the incorporation of models to simulate different phenomena and material properties. Collapsible rods can be also simulated. The code is bidimensional, assumes cylindrical symmetry for the rod and uses the finite element method to integrate the differential equations. The stress-strain and heat conduction problems are nonlinear due to plasticity and to the temperature dependence of the thermal conductivity. The fission gas inventory is calculated with a diffusion model, assuming spherical grains and using a one-dimensional finite element scheme. Pressure increase, swelling and densification are coupled with the stress field. Good results are obtained for the simulation of the irradiation tests of the first argentine prototypes of MOX fuels, where the bamboo effect is clearly observed, and of the FUMEX series for the fuel centerline temperature, the inside rod pressure and the fractional gas release.

Cellular automaton simulation examining progenitor hierarchy structure effects on mammary ductal carcinoma in situ.

Science.gov (United States)

Bankhead, Armand; Magnuson, Nancy S; Heckendorn, Robert B

2007-06-07

A computer simulation is used to model ductal carcinoma in situ, a form of non-invasive breast cancer. The simulation uses known histological morphology, cell types, and stochastic cell proliferation to evolve tumorous growth within a duct. The ductal simulation is based on a hybrid cellular automaton design using genetic rules to determine each cell's behavior. The genetic rules are a mutable abstraction that demonstrate genetic heterogeneity in a population. Our goal was to examine the role (if any) that recently discovered mammary stem cell hierarchies play in genetic heterogeneity, DCIS initiation and aggressiveness. Results show that simpler progenitor hierarchies result in greater genetic heterogeneity and evolve DCIS significantly faster. However, the more complex progenitor hierarchy structure was able to sustain the rapid reproduction of a cancer cell population for longer periods of time.

Simulation of the beam halo from the beam-beam interaction in LEP

International Nuclear Information System (INIS)

Chen, T.; Irwin, J.; Siemann, R.

1994-02-01

The luminosity lifetimes of e + e - colliders are often dominated by the halo produced by the beam-beam interaction. They have developed a simulation technique to model this halo using the flux across boundaries in amplitude space to decrease the CPU time by a factor of one-hundred or more over 'brute force' tracking. It allows simulation of density distributions and halos corresponding to realistic lifetimes. Reference 1 shows the agreement with brute force tracking in a number of cases and the importance of beam-beam resonances in determining the density distribution of large amplitudes. this research is now directed towards comparisons with operating colliders and studies of the combined effects of lattice and beam-beam nonlinearities. LEP offers an ideal opportunity for both, and in this paper they are presenting the first results of LEP simulations

Simulations of GCR interactions within planetary bodies using GEANT4

Science.gov (United States)

Mesick, K.; Feldman, W. C.; Stonehill, L. C.; Coupland, D. D. S.

2017-12-01

On planetary bodies with little to no atmosphere, Galactic Cosmic Rays (GCRs) can hit the body and produce neutrons primarily through nuclear spallation within the top few meters of the surfaces. These neutrons undergo further nuclear interactions with elements near the planetary surface and some will escape the surface and can be detected by landed or orbiting neutron radiation detector instruments. The neutron leakage signal at fast neutron energies provides a measure of average atomic mass of the near-surface material and in the epithermal and thermal energy ranges is highly sensitive to the presence of hydrogen. Gamma-rays can also escape the surface, produced at characteristic energies depending on surface composition, and can be detected by gamma-ray instruments. The intra-nuclear cascade (INC) that occurs when high-energy GCRs interact with elements within a planetary surface to produce the leakage neutron and gamma-ray signals is highly complex, and therefore Monte Carlo based radiation transport simulations are commonly used for predicting and interpreting measurements from planetary neutron and gamma-ray spectroscopy instruments. In the past, the simulation code that has been widely used for this type of analysis is MCNPX [1], which was benchmarked against data from the Lunar Neutron Probe Experiment (LPNE) on Apollo 17 [2]. In this work, we consider the validity of the radiation transport code GEANT4 [3], another widely used but open-source code, by benchmarking simulated predictions of the LPNE experiment to the Apollo 17 data. We consider the impact of different physics model options on the results, and show which models best describe the INC based on agreement with the Apollo 17 data. The success of this validation then gives us confidence in using GEANT4 to simulate GCR-induced neutron leakage signals on Mars in relevance to a re-analysis of Mars Odyssey Neutron Spectrometer data. References [1] D.B. Pelowitz, Los Alamos National Laboratory, LA-CP-05

The gravitational interaction between N-body (star clusters) and hydrodynamic (ISM) codes in disk galaxy simulations

International Nuclear Information System (INIS)

Schroeder, M.C.; Comins, N.F.

1986-01-01

During the past twenty years, three approaches to numerical simulations of the evolution of galaxies have been developed. The first approach, N-body programs, models the motion of clusters of stars as point particles which interact via their gravitational potentials to determine the system dynamics. Some N-body codes model molecular clouds as colliding, inelastic particles. The second approach, hydrodynamic models of galactic dynamics, simulates the activity of the interstellar medium as a compressible gas. These models presently do not include stars, the effect of gravitational fields, or allow for stellar evolution and exchange of mass or angular momentum between stars and the interstellar medium. The third approach, stochastic star formation simulations of disk galaxies, allows for the interaction between stars and interstellar gas, but does not allow the star particles to move under the influence of gravity

Radiation interaction with substance and simulation of the nuclear geophysical problems

International Nuclear Information System (INIS)

Pshenichnyj, G.A.

1982-01-01

Main processes of interaction of various types of nuclear radiation (NR) with substance, NR transport theory and physical- mathematical simulation of basic problems of nuclear geophysics (NG) are considered. General classification of NG methods according to the type of the detected radiation with a more detailed division according to the physical essence of the interaction process employed is given. Direct NG problems are related to the study of space- energy radiation distribution in substance under certain cross sections of elementary interaction processes, substance properties and specified geometric conditions. The theoretical solution of the direct problems is based on using mathematical models of radiation transport in specified media. The NG inverse problems consist in determining element composition and other medium properties by data of integral or spectral characteristics of NR fields measurements. The NR in the course of its transport in substance can experience dozens of elementary interaction processes, the predominance of this or that process depending on NR energy, medium properties and geometric measurement conditions. This explains a wide NG method diversity. The Monte Carlo method application in the NR transport theory and various methods of decreasing calculations labour input are considered [ru

Covert rapid action-memory simulation (CRAMS): a hypothesis of hippocampal-prefrontal interactions for adaptive behavior.

Science.gov (United States)

Wang, Jane X; Cohen, Neal J; Voss, Joel L

2015-01-01

Effective choices generally require memory, yet little is known regarding the cognitive or neural mechanisms that allow memory to influence choices. We outline a new framework proposing that covert memory processing of hippocampus interacts with action-generation processing of prefrontal cortex in order to arrive at optimal, memory-guided choices. Covert, rapid action-memory simulation (CRAMS) is proposed here as a framework for understanding cognitive and/or behavioral choices, whereby prefrontal-hippocampal interactions quickly provide multiple simulations of potential outcomes used to evaluate the set of possible choices. We hypothesize that this CRAMS process is automatic, obligatory, and covert, meaning that many cycles of action-memory simulation occur in response to choice conflict without an individual's necessary intention and generally without awareness of the simulations, leading to adaptive behavior with little perceived effort. CRAMS is thus distinct from influential proposals that adaptive memory-based behavior in humans requires consciously experienced memory-based construction of possible future scenarios and deliberate decisions among possible future constructions. CRAMS provides an account of why hippocampus has been shown to make critical contributions to the short-term control of behavior, and it motivates several new experimental approaches and hypotheses that could be used to better understand the ubiquitous role of prefrontal-hippocampal interactions in situations that require adaptively using memory to guide choices. Importantly, this framework provides a perspective that allows for testing decision-making mechanisms in a manner that translates well across human and nonhuman animal model systems. Copyright © 2014 Elsevier Inc. All rights reserved.

THE SIMULATED SOCIAL-INTERACTION TEST - A PSYCHOMETRIC EVALUATION WITH DUTCH SOCIAL PHOBIC PATIENTS

NARCIS (Netherlands)

MERSCH, PPA; BREUKERS, P; EMMELKAMP, PMG

1992-01-01

The Simulated Social Interaction Test (SSIT) was translated and adjusted for use on a population of Dutch males and females. Seventy-four social phobic patients were assessed with the SSIT, a conversation test, and an interview with an independent observer. Results show that the SSIT is a relatively

The Effectiveness of Public Simulated Oral Examinations in Preparation for the American Board of Surgery Certifying Examination: A Systematic Review.

Science.gov (United States)

Pennell, Christopher; McCulloch, Peter

2015-01-01

The purpose of this study was to determine whether American Board of Surgery Certifying Examination (CE) performance is improved among residents who prepare using simulated oral examinations (SOEs). EMBASE and MEDLINE were searched using predefined search terms. No language restrictions were imposed and the latest search date was in November 2014. Included studies must have reported on residents training in a general surgery residency in the United States who used SOEs to prepare for the CE and have measured their performance against those without exposure to SOEs. Studies meeting inclusion criteria were qualitatively and quantitatively analyzed and a fixed effects meta-analysis was performed to determine the net effect of SOEs on CE performance. Overall, 4 of 25 abstracts reviewed met inclusion criteria and are included in this review. The most common simulation format included public examinations in front of resident peers during scheduled education sessions. All 4 included studies trended toward improved performance with SOEs and in 2 of these studies the improvement was statistically significant. Overall, 3 studies were of adequate quality to perform a meta-analysis and demonstrated a relative risk for first-attempt CE success of 1.22 (95% CI: 1.07-1.39, p = 0.003) for residents preparing with SOEs compared to those without SOEs. The published literature evaluating SOEs is limited and generally of fair quality. A modest improvement in CE performance was identified when public SOEs were used as an educational tool aimed to improve professionalism and communication skills, encourage reading at home, and provide a regular review of clinically relevant topics. Copyright © 2015 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

Working with simulated forms of interaction in health care education

DEFF Research Database (Denmark)

Nordentoft, Helle Merete; Olesen, Lektor Birgitte Ravn

This paper argues that role-play as a simulated form of interaction - live and performed on video - is a creative method which has the potential to generate and support authentic dialogues in practice. In the paper we draw on experiences from 6 interdisciplinary workshops at a Danish hospital...... in which role-play of practice situations - both live and performed on video - formed the launching-pad for participants’ oral and written reflections. Our findings show that role-play has the potential to 1) develop professionals’ sensitivity to the significance of unexpected, embodied and emotional...

Thermodesorption examination of interaction of hydrogen with traps in silver

International Nuclear Information System (INIS)

Gabis, I.E.; Kurdyumov, A.A.; Ovsvannikova, T.A.

1992-01-01

The authors have previously examined the interaction of hydrogen with silver by the methods of thermal desorption spectrometry (TDS) and hydrogen permeability. The results showed that the TDS spectra contained a high-temperature phase linked with hydrogen which left the volume of the specimen during heating. It was assumed that hydrogen was captured and released by structural defects acting as traps. These traps can be represented by vacancies and their clusters. In this work, the high-temperature desorption of hydrogen from silver was studied. The experimental setup consisted of an all-metal vacuum system, a time-of-flight mass spectrometer, a DVK-2M computing system, and a Camac system. The described model of a local equilibrium should be regarded only as a first approximation. The results provide unambiguous information on the processes of permeability and desorption, and make it possible to assume that the formation of the high-temperature phase in TD spectra was caused by the generation of hydrogen from the traps. The parameters of the interaction of hydrogen with the traps were determined by the concentration wave method. 7 refs., 2 figs

Content validation applied to job simulation and written examinations

International Nuclear Information System (INIS)

Saari, L.M.; McCutchen, M.A.; White, A.S.; Huenefeld, J.C.

1984-08-01

The application of content validation strategies in work settings have become increasingly popular over the last few years, perhaps spurred by an acknowledgment in the courts of content validation as a method for validating employee selection procedures (e.g., Bridgeport Guardians v. Bridgeport Police Dept., 1977). Since criterion-related validation is often difficult to conduct, content validation methods should be investigated as an alternative for determining job related selection procedures. However, there is not yet consensus among scientists and professionals concerning how content validation should be conducted. This may be because there is a lack of clear cut operations for conducting content validation for different types of selection procedures. The purpose of this paper is to discuss two content validation approaches being used for the development of a licensing examination that involves a job simulation exam and a written exam. These represent variations in methods for applying content validation. 12 references

[Simulating measles and rubella elimination levels according to social stratification and interaction].

Science.gov (United States)

Hincapié-Palacio, Doracelly; Ospina-Giraldo, Juan; Gómez-Arias, Rubén D; Uyi-Afuwape, Anthony; Chowell-Puente, Gerardo

2010-02-01

The study was aimed at comparing measles and rubella disease elimination levels in a homogeneous and heterogeneous population according to socioeconomic status with interactions amongst low- and high-income individuals and diversity in the average number of contacts amongst them. Effective reproductive rate simulations were deduced from a susceptibleinfected- recovered (SIR) mathematical model according to different immunisation rates using measles (1980 and 2005) and rubella (1998 and 2005) incidence data from Latin-America and the Caribbean. Low- and high-income individuals' social interaction and their average number of contacts were analysed by bipartite random network analysis. MAPLE 12 (Maplesoft Inc, Ontario Canada) software was used for making the simulations. The progress made in eliminating both diseases between both periods of time was reproduced in the socially-homogeneous population. Measles (2005) would be eliminated in high- and low-income groups; however, it would only be achieved in rubella (2005) if there were a high immunity rate amongst the low-income group. If the average number of contacts were varied, then rubella would not be eliminated, even with a 95 % immunity rate. Monitoring the elimination level in diseases like measles and rubella requires that socio-economic status be considered as well as the population's interaction pattern. Special attention should be paid to communities having diversity in their average number of contacts occurring in confined spaces such as displaced communities, prisons, educational establishments, or hospitals.

Interaction of Aldehyde dehydrogenase with acetaminophen as examined by spectroscopies and molecular docking

Directory of Open Access Journals (Sweden)

Ayodele O. Kolawole

2017-07-01

Full Text Available The interaction of acetaminophen, a non-substrate anionic ligand, with Aldehyde Dehydrogenase was studied by fluorescence, UV–Vis absorption, and circular dichroism spectroscopies under simulated physiological conditions. The fluorescence spectra and data generated showed that acetaminophen binding to ALDH is purely dynamic quenching mechanism. The acetaminophen-ALDH is kinetically rapid reversible interaction with a binding constant, Ka, of 4.91×103 L mol−1. There was an existence of second binding site of ALDH for acetaminophen at saturating acetaminophen concentration. The binding sites were non-cooperative. The thermodynamic parameters obtained suggest that Van der Waal force and hydrogen bonding played a major role in the binding of acetaminophen to ALDH. The interaction caused perturbation of the ALDH structures with an obvious reduction in the α-helix. The binding distance of 4.43 nm was obtained between Acetaminophen and ALDH. Using Ficoll 400 as macro-viscosogen and glycerol as micro-viscosogen, Stoke-Einstein empirical plot demonstrated that acetaminophen-ALDH binding was diffusion controlled. Molecular docking showed the participation of some amino acids in the complex formation with −5.3 kcal binding energy. With these, ALDH might not an excipient detoxifier of acetaminophen but could be involved in its pegylation/encapsulation.

Emergence and frustration of magnetism with variable-range interactions in a quantum simulator.

Science.gov (United States)

Islam, R; Senko, C; Campbell, W C; Korenblit, S; Smith, J; Lee, A; Edwards, E E; Wang, C-C J; Freericks, J K; Monroe, C

2013-05-03

Frustration, or the competition between interacting components of a network, is often responsible for the emergent complexity of many-body systems. For instance, frustrated magnetism is a hallmark of poorly understood systems such as quantum spin liquids, spin glasses, and spin ices, whose ground states can be massively degenerate and carry high degrees of quantum entanglement. Here, we engineer frustrated antiferromagnetic interactions between spins stored in a crystal of up to 16 trapped (171)Yb(+) atoms. We control the amount of frustration by continuously tuning the range of interaction and directly measure spin correlation functions and their coherent dynamics. This prototypical quantum simulation points the way toward a new probe of frustrated quantum magnetism and perhaps the design of new quantum materials.

Interactions from diffraction data: historical and comprehensive overview of simulation assisted methods

International Nuclear Information System (INIS)

Toth, Gergely

2007-01-01

A large part of statistical mechanics is concerned with the determination of condensed matter structure on the basis of known microscopic interactions. An increasing emphasis has been put on the opposite situation in the last decades as well, where structural data, e.g. pair-distance statistics, are known from diffraction experiments, and one looks for the corresponding interaction functions. The solution of this inverse problem was searched for within the integral equation theories of condensed matter in the early investigations, but before long computer simulation assisted methods were suggested. The interest in this field showed an increasing trend after some attempts appeared in the late 1980s. Several methods were published in the 1990s, and one-two methods appear annually nowadays. In this paper a comprehensive and historical overview is given on the solution of the inverse problem with simulation assisted methods. Emphasis is put on the theoretical grounds of the methods, on the choice of possible input structural functions, on the numerically local or global schemes of the potential modifications, on some advantages and limits of the different methods and on the scientific impact of the methods

Examining ecological validity in social interaction: problems of visual fidelity, gaze, and social potential.

Science.gov (United States)

Reader, Arran T; Holmes, Nicholas P

2016-01-01

Social interaction is an essential part of the human experience, and much work has been done to study it. However, several common approaches to examining social interactions in psychological research may inadvertently either unnaturally constrain the observed behaviour by causing it to deviate from naturalistic performance, or introduce unwanted sources of variance. In particular, these sources are the differences between naturalistic and experimental behaviour that occur from changes in visual fidelity (quality of the observed stimuli), gaze (whether it is controlled for in the stimuli), and social potential (potential for the stimuli to provide actual interaction). We expand on these possible sources of extraneous variance and why they may be important. We review the ways in which experimenters have developed novel designs to remove these sources of extraneous variance. New experimental designs using a 'two-person' approach are argued to be one of the most effective ways to develop more ecologically valid measures of social interaction, and we suggest that future work on social interaction should use these designs wherever possible.

Local Interaction Simulation Approach for Fault Detection in Medical Ultrasonic Transducers

Directory of Open Access Journals (Sweden)

Z. Hashemiyan

2015-01-01

Full Text Available A new approach is proposed for modelling medical ultrasonic transducers operating in air. The method is based on finite elements and the local interaction simulation approach. The latter leads to significant reductions of computational costs. Transmission and reception properties of the transducer are analysed using in-air reverberation patterns. The proposed approach can help to provide earlier detection of transducer faults and their identification, reducing the risk of misdiagnosis due to poor image quality.

Direct Numerical Simulation of Acoustic Waves Interacting with a Shock Wave in a Quasi-1D Convergent-Divergent Nozzle Using an Unstructured Finite Volume Algorithm

Science.gov (United States)

Bui, Trong T.; Mankbadi, Reda R.

1995-01-01

Numerical simulation of a very small amplitude acoustic wave interacting with a shock wave in a quasi-1D convergent-divergent nozzle is performed using an unstructured finite volume algorithm with a piece-wise linear, least square reconstruction, Roe flux difference splitting, and second-order MacCormack time marching. First, the spatial accuracy of the algorithm is evaluated for steady flows with and without the normal shock by running the simulation with a sequence of successively finer meshes. Then the accuracy of the Roe flux difference splitting near the sonic transition point is examined for different reconstruction schemes. Finally, the unsteady numerical solutions with the acoustic perturbation are presented and compared with linear theory results.

Intermolecular Interactions and Cooperative Effects from Electronic Structure Calculations: An Effective Means for Developing Interaction Potentials for Condensed Phase Simulations

Energy Technology Data Exchange (ETDEWEB)

Xantheas, Sotiris S.

2004-05-01

The modeling of the macroscopic properties of homogeneous and inhomogeneous systems via atomistic simulations such as molecular dynamics (MD) or Monte Carlo (MC) techniques is based on the accurate description of the relevant solvent-solute and solvent-solvent intermolecular interactions. The total energy (U) of an n-body molecular system can be formally written as [1,2,3

An improved simulation routine for modelling coherent high-energy proton interactions with bent crystals

CERN Document Server

AUTHOR|(CDS)2210072; Mirarchi, Daniele; Redaelli, Stefano

The planes in crystalline solids can constrain the directions that charged particles take as they pass through. Physicists can use this "channelling" property of crystals to steer particle beams. In a bent crystal, for example, channelled particles follow the bend and can change their direction. Experiments are being carried out to study in detail this phenomenon. The UA9 collaboration is using high energy protons and heavy ions beams from the SPS accelerator at CERN to verify the possibility of using bent crystals as primary collimators in high energy hadron colliders like the LHC. Simulations have been developed to model the coherent interaction with crystal planes. The goal of the thesis is indeed to analyze the data and develop an improved simulation routine to better describe the data’s subtleties, in particular the transition between the volume reflection and amorphous modes of beam interaction with the crystal.

ARC+(Registered Trademark) and ARC PC Welding Simulators: Teach Welders with Virtual Interactive 3D Technologies

Science.gov (United States)

Choquet, Claude

2011-01-01

123 Certification Inc., a Montreal based company, has developed an innovative hands-on welding simulator solution to help build the welding workforce in the most simple way. The solution lies in virtual reality technology, which has been fully tested since the early 90's. President and founder of 123 Certification Inc., Mr. Claude Choquet Ing. Msc. IWE. acts as a bridge between the welding and the programming world. Working in these fields for more than 20 years. he has filed 12 patents world-wide for a gesture control platform with leading edge hardware related to simulation. In the summer of 2006. Mr Choquet was proud to be invited to the annual IIW International Weld ing Congress in Quebec City to launch the ARC+ welding simulator. A 100% virtual reality system and web based training center was developed to simulate multi process. multi-materiaL multi-position and multi pass welding. The simulator is intended to train welding students and apprentices in schools or industries. The welding simulator is composed of a real welding e[eetrode holder (SMAW-GTAW) and gun (GMAW-FCAW). a head mounted display (HMD), a 6 degrees of freedom tracking system for interaction between the user's hands and head. as well as external audio speakers. Both guns and HMD are interacting online and simultaneously. The welding simulation is based on the law of physics and empirical results from detailed analysis of a series of welding tests based on industrial applications tested over the last 20 years. The simulation runs in real-time, using a local logic network to determine the quality and shape of the created weld. These results are based on the orientation distance. and speed of the welding torch and depth of penetration. The welding process and resulting weld bc.1d are displayed in a virtual environment with screenplay interactive training modules. For review. weld quality and recorded process values can be displayed and diagnosed after welding. To help in the le.tming process, a

Developing a Tool Point Control Scheme for a Hydraulic Crane Using Interactive Real-time Dynamic Simulation

DEFF Research Database (Denmark)

Pedersen, Mikkel Melters; Hansen, Michael Rygaard; Ballebye, Morten

2010-01-01

This paper describes the implementation of an interactive real-time dynamic simulation model of a hydraulic crane. The user input to the model is given continuously via joystick and output is presented continuously in a 3D animation. Using this simulation model, a tool point control scheme...... is developed for the specific crane, considering the saturation phenomena of the system and practical implementation....

Multi-scale interactions of geological processes during mineralization: cascade dynamics model and multifractal simulation

Directory of Open Access Journals (Sweden)

L. Yao

2011-03-01

Full Text Available Relations between mineralization and certain geological processes are established mostly by geologist's knowledge of field observations. However, these relations are descriptive and a quantitative model of how certain geological processes strengthen or hinder mineralization is not clear, that is to say, the mechanism of the interactions between mineralization and the geological framework has not been thoroughly studied. The dynamics behind these interactions are key in the understanding of fractal or multifractal formations caused by mineralization, among which singularities arise due to anomalous concentration of metals in narrow space. From a statistical point of view, we think that cascade dynamics play an important role in mineralization and studying them can reveal the nature of the various interactions throughout the process. We have constructed a multiplicative cascade model to simulate these dynamics. The probabilities of mineral deposit occurrences are used to represent direct results of mineralization. Multifractal simulation of probabilities of mineral potential based on our model is exemplified by a case study dealing with hydrothermal gold deposits in southern Nova Scotia, Canada. The extent of the impacts of certain geological processes on gold mineralization is related to the scale of the cascade process, especially to the maximum cascade division number n_max. Our research helps to understand how the singularity occurs during mineralization, which remains unanswered up to now, and the simulation may provide a more accurate distribution of mineral deposit occurrences that can be used to improve the results of the weights of evidence model in mapping mineral potential.

Trends in programming languages for neuroscience simulations.

Science.gov (United States)

Davison, Andrew P; Hines, Michael L; Muller, Eilif

2009-01-01

Neuroscience simulators allow scientists to express models in terms of biological concepts, without having to concern themselves with low-level computational details of their implementation. The expressiveness, power and ease-of-use of the simulator interface is critical in efficiently and accurately translating ideas into a working simulation. We review long-term trends in the development of programmable simulator interfaces, and examine the benefits of moving from proprietary, domain-specific languages to modern dynamic general-purpose languages, in particular Python, which provide neuroscientists with an interactive and expressive simulation development environment and easy access to state-of-the-art general-purpose tools for scientific computing.

Trends in Programming Languages for Neuroscience Simulations

Science.gov (United States)

Davison, Andrew P.; Hines, Michael L.; Muller, Eilif

2009-01-01

Neuroscience simulators allow scientists to express models in terms of biological concepts, without having to concern themselves with low-level computational details of their implementation. The expressiveness, power and ease-of-use of the simulator interface is critical in efficiently and accurately translating ideas into a working simulation. We review long-term trends in the development of programmable simulator interfaces, and examine the benefits of moving from proprietary, domain-specific languages to modern dynamic general-purpose languages, in particular Python, which provide neuroscientists with an interactive and expressive simulation development environment and easy access to state-of-the-art general-purpose tools for scientific computing. PMID:20198154

Trends in programming languages for neuroscience simulations

Directory of Open Access Journals (Sweden)

Andrew P Davison

2009-12-01

Full Text Available Neuroscience simulators allow scientists to express models in terms of biological concepts, without having to concern themselves with low-level computational details of their implementation. The expressiveness, power and ease-of-use of the simulator interface is critical in efficiently and accurately translating ideas into a working simulation. We review long-term trends in the development of programmable simulator interfaces, and examine the benefits of moving from proprietary, domain-specific languages to modern dynamic general-purpose languages, in particular Python, which provide neuroscientists with an interactive and expressive simulation development environment and easy access to state-of-the-art general-purpose tools for scientific computing.

Functional interactivity in social media: an examination of Chinese health care organizations' microblog profiles.

Science.gov (United States)

Jiang, Shaohai

2017-09-08

Social media hold enormous potentials as a communication tool for health care due to its interactive nature. However, prior research mainly focused on contingency interactivity of social media, by examining messages sent from health care organizations to audiences, while little is known about functional interactivity, which refers to social media's presence of functions for facilitating communication between users and its interface. That is, how health care organizations use interactive features on social media to communicate with the public. Thus, with a general basis of the functional interactivity framework proposed by Waters et al. (Engaging stakeholders through social networking: how nonprofit organizations are using Facebook. Pub Relat Rev 2009;35:102-106), the current study investigated three aspects of functional interactivity in microblogging, and its subsequent effects. Specifically, this study analyzed 500 Chinese hospitals' profiles on Sina Weibo, the most popular microblogging platform in China. The results showed that the most common functional interactivity feature was organization disclosure, followed by information dissemination, and audience involvement. These interactive features all positively predicted the number of followers. Also, Chinese private hospitals scored significantly higher than public hospitals to use interactive features offered by social media. The findings of this study provide important implications for health care organizations to understand new communicative functions available on social media, incorporate more functions into their profiles and thus provide audiences with greater opportunity to interact with them via social media. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Post-hoc simulation study to adopt a computerized adaptive testing (CAT) for a Korean Medical License Examination.

Science.gov (United States)

Seo, Dong Gi; Choi, Jeongwook

2018-05-17

Computerized adaptive testing (CAT) has been adopted in license examinations due to a test efficiency and accuracy. Many research about CAT have been published to prove the efficiency and accuracy of measurement. This simulation study investigated scoring method and item selection methods to implement CAT in Korean medical license examination (KMLE). This study used post-hoc (real data) simulation design. The item bank used in this study was designed with all items in a 2017 KMLE. All CAT algorithms for this study were implemented by a 'catR' package in R program. In terms of accuracy, Rasch and 2parametric logistic (PL) model performed better than 3PL model. Modal a Posteriori (MAP) or Expected a Posterior (EAP) provided more accurate estimates than MLE and WLE. Furthermore Maximum posterior weighted information (MPWI) or Minimum expected posterior variance (MEPV) performed better than other item selection methods. In terms of efficiency, Rasch model was recommended to reduce test length. Simulation study should be performed under varied test conditions before adopting a live CAT. Based on a simulation study, specific scoring and item selection methods should be predetermined before implementing a live CAT.

A virtual control room with an embedded, interactive nuclear reactor simulator

International Nuclear Information System (INIS)

Markidis, S.; Rizwan, U.

2006-01-01

The use of virtual nuclear control room can be an effective and powerful tool for training personnel working in the nuclear power plants. Operators could experience and simulate the functioning of the plant, even in critical situations, without being in a real power plant or running any risk. 3D models can be exported to Virtual Reality formats and then displayed in the Virtual Reality environment providing an immersive 3D experience. However, two major limitations of this approach are that 3D models exhibit static textures, and they are not fully interactive and therefore cannot be used effectively in training personnel. In this paper we first describe a possible solution for embedding the output of a computer application in a 3D virtual scene, coupling real-world applications and VR systems. The VR system reported here grabs the output of an application running on an X server; creates a texture with the output and then displays it on a screen or a wall in the virtual reality environment. We then propose a simple model for providing interaction between the user in the VR system and the running simulator. This approach is based on the use of internet-based application that can be commanded by a laptop or tablet-pc added to the virtual environment. (authors)

A retrospective outcomes study examining the effect of interactive metronome on hand function.

Science.gov (United States)

Shank, Tracy M; Harron, Wendy

2015-01-01

Interactive Metronome (IM, The Interactive Metronome Company, Sunrise, Florida, USA) is a computer-based modality marketed to rehabilitation professionals who want to improve outcomes in areas of coordination, motor skills, self-regulation behaviors, and cognitive skills. This retrospective study examined the efficacy of IM training on improving timing skills, hand function, and parental report of self-regulatory behaviors. Forty eight children with mixed motor and cognitive diagnoses completed an average of 14 one-hour training sessions over an average of 8.5 weeks in an outpatient setting. Each child was assessed before and after training with the Interactive Metronome Long Form Assessment, the Jebsen Taylor Test of Hand Function, and a parent questionnaire. All three measures improved with statistical significance despite participants having no direct skill training. These results suggest an intimate relationship between cognition and motor skills that has potential therapeutic value. Level 4, Retrospective Case Series. Copyright © 2015 Hanley & Belfus. Published by Elsevier Inc. All rights reserved.

CDP a graphic system for the interactive simulation and the dynamic analysis of continuous systems

International Nuclear Information System (INIS)

Ricci, A.; Teolis, A.

1973-01-01

An IBM 2250 graphic system for the interactive simulation of continuous sytems is illustrated. Time dependent quantities can be plotted or an animated, real or schematic, representation of the system being studied can be given

Convergence acceleration for partitioned simulations of the fluid-structure interaction in arteries

Science.gov (United States)

Radtke, Lars; Larena-Avellaneda, Axel; Debus, Eike Sebastian; Düster, Alexander

2016-06-01

We present a partitioned approach to fluid-structure interaction problems arising in analyses of blood flow in arteries. Several strategies to accelerate the convergence of the fixed-point iteration resulting from the coupling of the fluid and the structural sub-problem are investigated. The Aitken relaxation and variants of the interface quasi-Newton -least-squares method are applied to different test cases. A hybrid variant of two well-known variants of the interface quasi-Newton-least-squares method is found to perform best. The test cases cover the typical boundary value problem faced when simulating the fluid-structure interaction in arteries, including a strong added mass effect and a wet surface which accounts for a large part of the overall surface of each sub-problem. A rubber-like Neo Hookean material model and a soft-tissue-like Holzapfel-Gasser-Ogden material model are used to describe the artery wall and are compared in terms of stability and computational expenses. To avoid any kind of locking, high-order finite elements are used to discretize the structural sub-problem. The finite volume method is employed to discretize the fluid sub-problem. We investigate the influence of mass-proportional damping and the material model chosen for the artery on the performance and stability of the acceleration strategies as well as on the simulation results. To show the applicability of the partitioned approach to clinical relevant studies, the hemodynamics in a pathologically deformed artery are investigated, taking the findings of the test case simulations into account.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

International Nuclear Information System (INIS)

Hardy, David J.; Schulten, Klaus; Wolff, Matthew A.; Skeel, Robert D.; Xia, Jianlin

2016-01-01

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle–mesh Ewald method falls short.

Possible applications of the LEAP motion controller for more interactive simulated experiments in augmented or virtual reality

Science.gov (United States)

Wozniak, Peter; Vauderwange, Oliver; Mandal, Avikarsha; Javahiraly, Nicolas; Curticapean, Dan

2016-09-01

Practical exercises are a crucial part of many curricula. Even simple exercises can improve the understanding of the underlying subject. Most experimental setups require special hardware. To carry out e. g. a lens experiments the students need access to an optical bench, various lenses, light sources, apertures and a screen. In our previous publication we demonstrated the use of augmented reality visualization techniques in order to let the students prepare with a simulated experimental setup. Within the context of our intended blended learning concept we want to utilize augmented or virtual reality techniques for stationary laboratory exercises. Unlike applications running on mobile devices, stationary setups can be extended more easily with additional interfaces and thus allow for more complex interactions and simulations in virtual reality (VR) and augmented reality (AR). The most significant difference is the possibility to allow interactions beyond touching a screen. The LEAP Motion controller is a small inexpensive device that allows for the tracking of the user's hands and fingers in three dimensions. It is conceivable to allow the user to interact with the simulation's virtual elements by the user's very hand position, movement and gesture. In this paper we evaluate possible applications of the LEAP Motion controller for simulated experiments in augmented and virtual reality. We pay particular attention to the devices strengths and weaknesses and want to point out useful and less useful application scenarios.

Simulations of structure formation in interacting dark energy cosmologies

International Nuclear Information System (INIS)

Baldi, M.

2009-01-01

The evidence in favor of a dark energy component dominating the Universe, and driving its presently accelerated expansion, has progressively grown during the last decade of cosmological observations. If this dark energy is given by a dynamic scalar field, it may also have a direct interaction with other matter fields in the Universe, in particular with cold dark matter. Such interaction would imprint new features on the cosmological background evolution as well as on the growth of cosmic structure, like an additional long-range fifth-force between massive particles, or a variation in time of the dark matter particle mass. We present here the implementation of these new physical effects in the N-body code GADGET-2, and we discuss the outcomes of a series of high-resolution N-body simulations for a selected family of interacting dark energy models. We interestingly find, in contrast with previous claims, that the inner overdensity of dark matter halos decreases in these models with respect to ΛCDM, and consistently halo concentrations show a progressive reduction for increasing couplings. Furthermore, the coupling induces a bias in the overdensities of cold dark matter and baryons that determines a decrease of the halo baryon fraction below its cosmological value. These results go in the direction of alleviating tensions between astrophysical observations and the predictions of the ΛCDM model on small scales, thereby opening new room for coupled dark energy models as an alternative to the cosmological constant.

Experimental simulation of magma-carbonate interaction beneath Mt. Vesuvius, Italy

Science.gov (United States)

Jolis, E. M.; Freda, C.; Troll, V. R.; Deegan, F. M.; Blythe, L. S.; McLeod, C. L.; Davidson, J. P.

2013-11-01

We simulated the process of magma-carbonate interaction beneath Mt. Vesuvius in short duration piston-cylinder experiments under controlled magmatic conditions (from 0 to 300 s at 0.5 GPa and 1,200 °C), using a Vesuvius shoshonite composition and upper crustal limestone and dolostone as starting materials. Backscattered electron images and chemical analysis (major and trace elements and Sr isotopes) of sequential experimental products allow us to identify the textural and chemical evolution of carbonated products during the assimilation process. We demonstrate that melt-carbonate interaction can be extremely fast (minutes), and results in dynamic contamination of the host melt with respect to Ca, Mg and 87Sr/86Sr, coupled with intense CO2 vesiculation at the melt-carbonate interface. Binary mixing between carbonate and uncontaminated melt cannot explain the geochemical variations of the experimental charges in full and convection and diffusion likely also operated in the charges. Physical mixing and mingling driven by exsolving volatiles seems to be a key process to promote melt homogenisation. Our results reinforce hypotheses that magma-carbonate interaction is a relevant and ongoing process at Mt. Vesuvius and one that may operate not only on a geological, but on a human timescale.

Network Dynamics with BrainX3: A Large-Scale Simulation of the Human Brain Network with Real-Time Interaction

OpenAIRE

Xerxes D. Arsiwalla; Riccardo eZucca; Alberto eBetella; Enrique eMartinez; David eDalmazzo; Pedro eOmedas; Gustavo eDeco; Gustavo eDeco; Paul F.M.J. Verschure; Paul F.M.J. Verschure

2015-01-01

BrainX3 is a large-scale simulation of human brain activity with real-time interaction, rendered in 3D in a virtual reality environment, which combines computational power with human intuition for the exploration and analysis of complex dynamical networks. We ground this simulation on structural connectivity obtained from diffusion spectrum imaging data and model it on neuronal population dynamics. Users can interact with BrainX3 in real-time by perturbing brain regions with transient stimula...

Network dynamics with BrainX3: a large-scale simulation of the human brain network with real-time interaction

OpenAIRE

Arsiwalla, Xerxes D.; Zucca, Riccardo; Betella, Alberto; Martínez, Enrique, 1961-; Dalmazzo, David; Omedas, Pedro; Deco, Gustavo; Verschure, Paul F. M. J.

2015-01-01

BrainX3 is a large-scale simulation of human brain activity with real-time interaction, rendered in 3D in a virtual reality environment, which combines computational power with human intuition for the exploration and analysis of complex dynamical networks. We ground this simulation on structural connectivity obtained from diffusion spectrum imaging data and model it on neuronal population dynamics. Users can interact with BrainX3 in real-time by perturbing brain regions with transient stimula...

Examining classroom interactions related to difference in students' science achievement

Science.gov (United States)

Zady, Madelon F.; Portes, Pedro R.; Ochs, V. Dan

2003-01-01

The current study examines the cognitive supports that underlie achievement in science by using a cultural historical framework (L. S. Vygotsky (1934/1986), Thought and Language, MIT Press, Cambridge, MA.) and the activity setting (AS) construct (R. G. Tharp & R. Gallimore (1988), Rousing minds to life: Teaching, learning and schooling in social context, Cambridge University Press, Cambridge, MA.) with its five features: personnel, motivations, scripts, task demands, and beliefs. Observations were made of the classrooms of seventh-grade science students, 32 of whom had participated in a prior achievement-related parent-child interaction or home study (P. R. Portes, M. F. Zady, & R. M. Dunham (1998), Journal of Genetic Psychology, 159, 163-178). The results of a quantitative analysis of classroom interaction showed two features of the AS: personnel and scripts. The qualitative field analysis generated four emergent phenomena related to the features of the AS that appeared to influence student opportunity for conceptual development. The emergent phenomenon were science activities, the building of learning, meaning in lessons, and the conflict over control. Lastly, the results of the two-part classroom study were compared to those of the home science AS of high and low achievers. Mismatches in the AS features in the science classroom may constrain the opportunity to learn. Educational implications are discussed.

Software-Engineering Process Simulation (SEPS) model

Science.gov (United States)

Lin, C. Y.; Abdel-Hamid, T.; Sherif, J. S.

1992-01-01

The Software Engineering Process Simulation (SEPS) model is described which was developed at JPL. SEPS is a dynamic simulation model of the software project development process. It uses the feedback principles of system dynamics to simulate the dynamic interactions among various software life cycle development activities and management decision making processes. The model is designed to be a planning tool to examine tradeoffs of cost, schedule, and functionality, and to test the implications of different managerial policies on a project's outcome. Furthermore, SEPS will enable software managers to gain a better understanding of the dynamics of software project development and perform postmodern assessments.

Interactions of microbicide nanoparticles with a simulated vaginal fluid.

Science.gov (United States)

das Neves, José; Rocha, Cristina M R; Gonçalves, Maria Pilar; Carrier, Rebecca L; Amiji, Mansoor; Bahia, Maria Fernanda; Sarmento, Bruno

2012-11-05

The interaction with cervicovaginal mucus presents the potential to impact the performance of drug nanocarriers. These systems must migrate through this biological fluid in order to deliver their drug payload to the underlying mucosal surface. We studied the ability of dapivirine-loaded polycaprolactone (PCL)-based nanoparticles (NPs) to interact with a simulated vaginal fluid (SVF) incorporating mucin. Different surface modifiers were used to produce NPs with either negative (poloxamer 338 NF and sodium lauryl sulfate) or positive (cetyltrimethylammonium bromide) surface charge. Studies were performed using the mucin particle method, rheological measurements, and real-time multiple particle tracking. Results showed that SVF presented rheological properties similar to those of human cervicovaginal mucus. Analysis of NP transport indicated mild interactions with mucin and low adhesive potential. In general, negatively charged NPs underwent subdiffusive transport in SVF, i.e., hindered as compared to their diffusion in water, but faster than for positively charged NPs. These differences were increased when the pH of SVF was changed from 4.2 to 7.0. Diffusivity was 50- and 172-fold lower in SVF at pH 4.2 than in water for negatively charged and positively charged NPs, respectively. At pH 7.0, this decrease was around 20- and 385-fold, respectively. The estimated times required to cross a layer of SVF were equal to or lower than 1.7 h for negatively charged NPs, while for positively charged NPs these values were equal to or higher than 7 h. Overall, our results suggest that negatively charged PCL NPs may be suitable to be used as carriers in order to deliver dapivirine and potentially other antiretroviral drugs to the cervicovaginal mucosal lining. Also, they further reinforce the importance in characterizing the interactions of nanosystems with mucus fluids or surrogates when considering mucosal drug delivery.

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

Science.gov (United States)

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.

Simulation study of proton inelastic interaction with nuclei in the 50 to 350 MeV range by Monte Carlo Method

International Nuclear Information System (INIS)

Peres, J.C.

1982-11-01

This study settles a contribution to the proton-nucleus inelastic interaction simulation. Experimental display of deuton, triton, ion 3 He and alpha clusters in nucleus led us to include them in intranuclear cascade. We use a FERMI type distribution of nucleons; knowledge of each fundamental phenomenon allowed us to follow every particle moving in the medium. Inelastic interaction simulation was performed by the use of a MONTE CARLO method [fr

Simulation of laser interaction with ablative plasma and hydrodynamic behavior of laser supported plasma

Energy Technology Data Exchange (ETDEWEB)

Tong Huifeng; Yuan Hong [Institute of Fluid Physics, Chinese Academy of Engineering Physics, P.O. Box 919-101, Mianyang, Sichuan 621900 (China); Tang Zhiping [CAS Key Laboratory for Mechanical Behavior and Design of Materials, Department of Mechanics and Mechanical Engineering, University of Science and Technology of China, Hefei 230026 (China)

2013-01-28

When an intense laser beam irradiates on a solid target, ambient air ionizes and becomes plasma, while part of the target rises in temperature, melts, vaporizes, ionizes, and yet becomes plasma. A general Godunov finite difference scheme WENO (Weighted Essentially Non-Oscillatory Scheme) with fifth-order accuracy is used to simulate 2-dimensional axis symmetrical laser-supported plasma flow field in the process of laser ablation. The model of the calculation of ionization degree of plasma and the interaction between laser beam and plasma are considered in the simulation. The numerical simulations obtain the profiles of temperature, density, and velocity at different times which show the evolvement of the ablative plasma. The simulated results show that the laser energy is strongly absorbed by plasma on target surface and that the velocity of laser supported detonation (LSD) wave is half of the ideal LSD value derived from Chapman-Jouguet detonation theory.

Simulations of bremsstrahlung emission in ultra-intense laser interactions with foil targets

Science.gov (United States)

Vyskočil, Jiří; Klimo, Ondřej; Weber, Stefan

2018-05-01

Bremsstrahlung emission from interactions of short ultra-intense laser pulses with solid foils is studied using particle-in-cell (PIC) simulations. A module for simulating bremsstrahlung has been implemented in the PIC loop to self-consistently account for the dynamics of the laser–plasma interaction, plasma expansion, and the emission of gamma ray photons. This module made it possible to study emission from thin targets, where refluxing of hot electrons plays an important role. It is shown that the angular distribution of the emitted photons exhibits a four-directional structure with the angle of emission decreasing with the increase of the width of the target. Additionally, a collimated forward flash consisting of high energy photons has been identified in thin targets. The conversion efficiency of the energy of the laser pulse to the energy of the gamma rays rises with both the driving pulse intensity, and the thickness of the target. The amount of gamma rays also increases with the atomic number of the target material, despite a lower absorption of the driving laser pulse. The angular spectrum of the emitted gamma rays is directly related to the increase of hot electron divergence during their refluxing and its measurement can be used in experiments to study this process.

Fluid-structure interaction computations for geometrically resolved rotor simulations using CFD

DEFF Research Database (Denmark)

Heinz, Joachim Christian; Sørensen, Niels N.; Zahle, Frederik

2016-01-01

fluid dynamics (CFD) solver EllipSys3D. The paper shows that the implemented loose coupling scheme, despite a non-conservative force transfer, maintains a sufficient numerical stability and a second-order time accuracy. The use of a strong coupling is found to be redundant. In a first test case......This paper presents a newly developed high-fidelity fluid–structure interaction simulation tool for geometrically resolved rotor simulations of wind turbines. The tool consists of a partitioned coupling between the structural part of the aero-elastic solver HAWC2 and the finite volume computational......, the newly developed coupling between HAWC2 and EllipSys3D (HAWC2CFD) is utilized to compute the aero-elastic response of the NREL 5-MW reference wind turbine (RWT) under normal operational conditions. A comparison with the low-fidelity but state-of-the-art aero-elastic solver HAWC2 reveals a very good...

Informal Learning in Academic Student Organizations: An Exploratory Examination of Student-Faculty Interactions and the Relationship to Leadership

Science.gov (United States)

Holzweiss, Peggy C.; Parrott, Kelli Peck; Cole, Bryan R.

2013-01-01

This exploratory study examined informal learning opportunities that exist within student organizations. The researchers specifically isolated academic organizations and the interactions between students and faculty that may occur in this context. Findings indicate that 81% of participants experienced interactions with faculty within the context…

Developing an interactive computational system to simulate radon concentration inside ancient egyptian tombs

Energy Technology Data Exchange (ETDEWEB)

Metwally, S M; Salama, E; El-Fikia, S A [Faculty of Science, Department of Physics, Ain Shams University, P. O. Box 11566, Cairo (Egypt); Abo-EImagd, M; Eissa, H M [National Institute for Standard, Radiation Measurements Department, P. O. Box 136Giza code no. 12211 RSSP (Egypt)

2007-06-15

RSSP (Radon Scale Software Package) is an interactive support system that simulates the radon concentration inside ancient Egyptian tombs and the consequences on the population in terms of internal and external exposure. RSSP consists of three interconnected modules: the first one simulates the radon concentration inside ancient Egyptian tombs using a developed mathematical model. This model introduces the possibility of controlling the rate of radon accumulation via additional artificial ventilation systems. The source of inputs is an editable database for the tombs includes the geometrical dimensions and some environmental parameters like temperature and outdoor radon concentration at the tombs locations. The second module simulates the absorbed dose due to internal exposure of radon and its progeny. The third module simulates the absorbed dose due to external exposure of Gamma rays emitted from the tomb wall rocks. RSSP introduces the facility of following the progress of radon concentration as well as Internal and external absorbed dose in a wide range of time (seconds, minutes, hours and days) via numerical data and the corresponding graphical interface.

Developing an interactive computational system to simulate radon concentration inside ancient egyptian tombs

International Nuclear Information System (INIS)

Metwally, S. M.; Salama, E.; El-Fikia, S. A.; Abo-EImagd, M.; Eissa, H. M.

2007-01-01

RSSP (Radon Scale Software Package) is an interactive support system that simulates the radon concentration inside ancient Egyptian tombs and the consequences on the population in terms of internal and external exposure. RSSP consists of three interconnected modules: the first one simulates the radon concentration inside ancient Egyptian tombs using a developed mathematical model. This model introduces the possibility of controlling the rate of radon accumulation via additional artificial ventilation systems. The source of inputs is an editable database for the tombs includes the geometrical dimensions and some environmental parameters like temperature and outdoor radon concentration at the tombs locations. The second module simulates the absorbed dose due to internal exposure of radon and its progeny. The third module simulates the absorbed dose due to external exposure of Gamma rays emitted from the tomb wall rocks. RSSP introduces the facility of following the progress of radon concentration as well as Internal and external absorbed dose in a wide range of time (seconds, minutes, hours and days) via numerical data and the corresponding graphical interface

Interactive simulation of nuclear power systems using a dedicated minicomputer - computer graphics facility

International Nuclear Information System (INIS)

Tye, C.; Sezgen, A.O.

1980-01-01

The design of control systems and operational procedures for large scale nuclear power plant poses a difficult optimization problem requiring a lot of computational effort. Plant dynamic simulation using digital minicomputers offers the prospect of relatively low cost computing and when combined with graphical input/output provides a powerful tool for studying such problems. The paper discusses the results obtained from a simulation study carried out at the Computer Graphics Unit of the University of Manchester using a typical station control model for an Advanced Gas Cooled reactor. Particular reference is placed on the use of computer graphics for information display, parameter and control system optimization and techniques for using graphical input for defining and/or modifying the control system topology. Experience gained from this study has shown that a relatively modest minicomputer system can be used for simulating large scale dynamic systems and that highly interactive computer graphics can be used to advantage to relieve the designer of many of the tedious aspects of simulation leaving him free to concentrate on the more creative aspects of his work. (author)

Intelligent Motion and Interaction Within Virtual Environments

Science.gov (United States)

Ellis, Stephen R. (Editor); Slater, Mel (Editor); Alexander, Thomas (Editor)

2007-01-01

What makes virtual actors and objects in virtual environments seem real? How can the illusion of their reality be supported? What sorts of training or user-interface applications benefit from realistic user-environment interactions? These are some of the central questions that designers of virtual environments face. To be sure simulation realism is not necessarily the major, or even a required goal, of a virtual environment intended to communicate specific information. But for some applications in entertainment, marketing, or aspects of vehicle simulation training, realism is essential. The following chapters will examine how a sense of truly interacting with dynamic, intelligent agents may arise in users of virtual environments. These chapters are based on presentations at the London conference on Intelligent Motion and Interaction within a Virtual Environments which was held at University College, London, U.K., 15-17 September 2003.

The development of WIPPVENT, a windows based interactive mine ventilation simulation software program at the Waste Isolation Pilot Plant

International Nuclear Information System (INIS)

McDaniel, K.H.

1995-01-01

An interactive mine ventilation simulation software program (WIPPVENT) was developed at the Waste Isolation Pilot Plant (WIPP). The WIPP is a US Department of Energy (DOE) research and development project located near Carlsbad, New Mexico. The facility is designed to provide a permanent, safe underground disposal of US defense generated transuranic waste in bedded salt. In addition to it's regular functions, the underground ventilation system is engineered to prevent the uncontrolled spread of radioactive materials in the unlikely event of a release. To enhance the operability system, Westinghouse Electric Corporation has developed an interactive mine ventilation simulation software program (WIPPVENT). While WIPPVENT includes most of the functions of the commercially available simulation program VNETPC (copyright 1991 Mine Ventilation Services, Inc.), the user interface has been completely rewritten as a Windows reg-sign application and screen graphics have been added. WIPPVENT is designed to interact with the WIPP ventilation monitoring systems through the site wide Central Monitoring System

Experimental simulation: using generative modelling and palaeoecological data to understand human-environment interactions

Directory of Open Access Journals (Sweden)

George Perry

2016-10-01

Full Text Available The amount of palaeoecological information available continues to grow rapidly, providing improved descriptions of the dynamics of past ecosystems and enabling them to be seen from new perspectives. At the same time, there has been concern over whether palaeoecological enquiry needs to move beyond descriptive inference to a more hypothesis-focussed or experimental approach; however, the extent to which conventional hypothesis-driven scientific frameworks can be applied to historical contexts (i.e., the past is the subject of ongoing debate. In other disciplines concerned with human-environment interactions, including physical geography and archaeology, there has been growing use of generative simulation models, typified by agent-based approaches. Generative modelling encourages counter-factual questioning (what if…?, a mode of argument that is particularly important in systems and time-periods, such as the Holocene and now the Anthropocene, where the effects of humans and other biophysical processes are deeply intertwined. However, palaeoecologically focused simulation of the dynamics of the ecosystems of the past either seems to be conducted to assess the applicability of some model to the future or treats humans simplistically as external forcing factors. In this review we consider how generative simulation-modelling approaches could contribute to our understanding of past human-environment interactions. We consider two key issues: the need for null models for understanding past dynamics and the need to be able learn more from pattern-based analysis. In this light, we argue that there is considerable scope for palaeocology to benefit from developments in generative models and their evaluation. We discuss the view that simulation is a form of experiment and, by using case studies, consider how the many patterns available to palaeoecologists can support model evaluation in a way that moves beyond simplistic pattern-matching and how such models

Two Methods For Simulating the Strong-Strong Beam-Beam Interaction in Hadron Colliders

International Nuclear Information System (INIS)

Warnock, Robert L.

2002-01-01

We present and compare the method of weighted macro particle tracking and the Perron-Frobenius operator technique for simulating the time evolution of two beams coupled via the collective beam-beam interaction in 2-D and 4-D (transverse) phase space. The coherent dipole modes, with and without lattice nonlinearities and external excitation, are studied by means of the Vlasov-Poisson system

Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7

Directory of Open Access Journals (Sweden)

Christopher Peschel

2017-09-01

Full Text Available We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description of those systems. On the basis of this force field, we performed extensive simulations of various bilayer systems containing different additives. The additive molecules were chosen to be of different size and shape, and they included small molecules such as perfluorinated alcohols, but also more complex molecules. From these simulations, we investigated the structural and dynamic effects of the additives on the membrane properties, as well as the behavior of the additive molecules themselves. Our results are in good agreement with other theoretical and experimental studies, and they contribute to a microscopic understanding of interactions, which might be used to specifically tune membrane properties by additives in the future.

Interaction and dynamics of homologous pairing protein 2 (HOP2) and DNA studied by MD simulation

Science.gov (United States)

Moktan, Hem; Pezza, Roberto; Zhou, Donghua

2015-03-01

The homologous pairing protein 2 (Hop2) plays an important role in meiosis and DNA repair. Together with protein Mnd1, Hop2 enhances the strand invasion activity of recombinase Dmc1 by over 30 times, facilitating proper synapsis of homologous chromosomes. We recently determined the NMR structure of the N-terminal domain of Hop2 and proposed a model of Protein-DNA complex based on NMR chemical shift perturbations and mutagenesis studies (Moktan, J Biol Chem 2014 10.1074/jbc.M114.548180). However structure and dynamics of the complex have not been studied at the atomic level yet. Here, we used classical MD simulations to study the interactions between the N-terminal HOP2 and DNA. The simulated results indicate that helix3 (H3) interacts with DNA in major groove and wing1 (W1) interacts mostly in minor groove mainly via direct hydrogen bonds. Also it is found that binding leads to reduced fluctuations in both protein and DNA. Several water bridge interactions have been identified. The residue-wise contributions to the interaction energy were evaluated. Also the functional motion of the protein is analyzed using principal component analysis. The results confirmed the importance of H3 and W1 for the stability of the complex, which is consistent with our previous experimental studies.

Compressible simulation of rotor-stator interaction in pump-turbines

International Nuclear Information System (INIS)

Yan, J; Koutnik, J; Seidel, U; Huebner, B

2010-01-01

This work investigates the influence of water compressibility on pressure pulsations induced by rotor-stator interaction (RSI) in hydraulic machinery, using the commercial CFD solver ANSYS-CFX. A pipe flow example with harmonic velocity excitation at the inlet plane is simulated using different grid densities and time step sizes. Results are compared with a validated code for hydraulic networks (SIMSEN). Subsequently, the solution procedure is applied to a simplified 2.5-dimensional pump-turbine configuration in model scale with an adapted speed of sound. Pressure fluctuations are compared with numerical and experimental data based on prototype scale. The good agreement indicates that the scaling of acoustic effects with an adapted speed of sound works well. Finally, the procedure is applied to a 3-dimensional pump configuration in model scale. Pressure fluctuations are compared with results from prototype measurements. Compared to incompressible computations, compressible simulations provide similar pressure fluctuations in vaneless space, but pressure fluctuations in spiral case and penstock may be much higher. With respect to pressure fluctuation amplitudes along the centerline of runner channels, incompressible solutions exhibit a linear decrease while compressible solutions exhibit sinusoidal distributions with maximum values at half the channel length, coinciding with analytical solutions of one-dimensional acoustics.

A Preliminary Examination of the Relationship Between Social Networking Interactions, Internet Use, and Thwarted Belongingness.

Science.gov (United States)

Moberg, Fallon B; Anestis, Michael D

2015-01-01

Joiner's (2005) interpersonal-psychological theory of suicide hypothesizes that suicidal desire develops in response to the joint presence of thwarted belongingness and perceived burdensomeness. To consider the potential influence of online interactions and behaviors on these outcomes. To address this, we administered an online protocol assessing suicidal desire and online interactions in a sample of 305 undergraduates (83.6% female). We hypothesized negative interactions on social networking sites and a preference for online social interactions would be associated with thwarted belongingness. We also conducted an exploratory analysis examining the associations between Internet usage and perceived burdensomeness. Higher levels of negative interactions on social networking sites, but no other variables, significantly predicted thwarted belongingness. Our exploratory analysis showed that none of our predictors were associated with perceived burdensomeness after accounting for demographics, depression, and thwarted belongingness. Our findings indicate that a general tendency to have negative interactions on social networking sites could possibly impact suicidal desire and that these effects are significant above and beyond depression symptoms. Furthermore, no other aspect of problematic Internet use significantly predicted our outcomes in multivariate analyses, indicating that social networking in particular may have a robust effect on thwarted belongingness.

Effect of tube current modulation for dose estimation using a simulation tool on body CT examination

International Nuclear Information System (INIS)

Kawaguchi, Ai; Matsunaga, Yuta; Kobayashi, Masanao; Suzuki, Shoichi; Matsubara, Kosuke; Chida, Koichi

2015-01-01

The purpose of this study was to evaluate the effect of tube current modulation for dose estimation of a body computed tomography (CT) examination using a simulation tool. The authors also compared longitudinal variations in tube current values between iterative reconstruction (IR) and filtered back-projection (FBP) reconstruction algorithms. One hundred patients underwent body CT examinations. The tube current values around 10 organ regions were recorded longitudinally from tube current information. The organ and effective doses were simulated by average tube current values and longitudinal modulated tube current values. The organ doses for the bladder and breast estimated by longitudinal modulated tube current values were 20 % higher and 25 % lower than those estimated using the average tube current values, respectively. The differences in effective doses were small (mean, 0.7 mSv). The longitudinal variations in tube current values were almost the same for the IR and FBP algorithms. (authors)

The Impact of Computer Simulations as Interactive Demonstration Tools on the Performance of Grade 11 Learners in Electromagnetism

Science.gov (United States)

Kotoka, Jonas; Kriek, Jeanne

2014-01-01

The impact of computer simulations on the performance of 65 grade 11 learners in electromagnetism in a South African high school in the Mpumalanga province is investigated. Learners did not use the simulations individually, but teachers used them as an interactive demonstration tool. Basic concepts in electromagnetism are difficult to understand…

A Monte Carlo simulation for the field theory with quartic interaction

Energy Technology Data Exchange (ETDEWEB)

Santos, Sergio Mittmann dos [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio Grande do Sul (IFRS), Porto Alegre, RS (Brazil)

2011-07-01

Full text: In the work [1-S. M. Santos, B. E. J. Bodmann and A. T. Gomez, Um novo metodo computacional para a teoria de campos na rede: resultados preliminares, IV Escola do Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, 2002; and 2-S. M. Santos and B. E. J. Bodmann, Simulacao na rede de teorias de campos quanticos, XXVIII Congresso Nacional de Matematica Aplicada e Computacional (CNMAC), Sao Paulo, 2005], a computational method on the lattice was elaborated for the problem known as scalar field theory with quartic interaction (for instance, see: J. R. Klauder, Beyound conventional quantization, Cambridge: Cambridge University Press, 2000). This one introduced an algorithm, which allows the simulation of a given field theory and is independent of the lattice spacing, by redefining the fields and the parameters (the mass m and the coupling constant g). This kind of approach permits varying the dimension of the lattice without changing the computational complexity of the algorithm. A simulation was made using the Monte Carlo method, where the renormalized mass m{sub R}, the renormalized coupling constant g{sub R} and the two point correlation function were determined with success. In the present work, the genuine computational method is used for new simulations. Now, the Monte Carlo method is not used just for the simulation of the algorithm, like in [1, 2], but also for defining the adjust parameters (the mass and the coupling constant), introduced ad hoc in [1, 2]. This work presents the first simulations' outcomes, where best results that [1, 2] were determined, for the renormalized mass and the renormalized coupling constant. (author)

A coarse-grained model for the simulations of biomolecular interactions in cellular environments

International Nuclear Information System (INIS)

Xie, Zhong-Ru; Chen, Jiawen; Wu, Yinghao

2014-01-01

The interactions of bio-molecules constitute the key steps of cellular functions. However, in vivo binding properties differ significantly from their in vitro measurements due to the heterogeneity of cellular environments. Here we introduce a coarse-grained model based on rigid-body representation to study how factors such as cellular crowding and membrane confinement affect molecular binding. The macroscopic parameters such as the equilibrium constant and the kinetic rate constant are calibrated by adjusting the microscopic coefficients used in the numerical simulations. By changing these model parameters that are experimentally approachable, we are able to study the kinetic and thermodynamic properties of molecular binding, as well as the effects caused by specific cellular environments. We investigate the volumetric effects of crowded intracellular space on bio-molecular diffusion and diffusion-limited reactions. Furthermore, the binding constants of membrane proteins are currently difficult to measure. We provide quantitative estimations about how the binding of membrane proteins deviates from soluble proteins under different degrees of membrane confinements. The simulation results provide biological insights to the functions of membrane receptors on cell surfaces. Overall, our studies establish a connection between the details of molecular interactions and the heterogeneity of cellular environments

Experiment and numerical simulation on the characteristics of fluid–structure interactions of non-rigid airships

Directory of Open Access Journals (Sweden)

Xiaocui Wu

2015-11-01

Full Text Available Fluid–structure interaction is an important issue for non-rigid airships with inflated envelopes. In this study, a wind tunnel test is conducted, and a loosely coupled procedure is correspondingly established for numerical simulation based on computational fluid dynamics and nonlinear finite element analysis methods. The typical results of the numerical simulation and wind tunnel experiment, including the overall lift and deformation, are in good agreement with each other. The results obtained indicate that the effect of fluid–structure interaction is noticeable and should be considered for non-rigid airships. Flow-induced deformation can further intensify the upward lift force and pitching moment, which can lead to a large deformation. Under a wind speed of 15 m/s, the lift force of the non-rigid model is increased to approximately 60% compared with that of the rigid model under a high angle of attack.

ALCOHOL AND DISTRACTION INTERACT TO IMPAIR DRIVING PERFORMANCE

Science.gov (United States)

Harrison, Emily L. R.; Fillmore, Mark T.

2011-01-01

Background Recognition of the risks associated with alcohol intoxication and driver distraction has led to a wealth of simulated driving research aimed at studying the adverse effects of each of these factors. Research on driving has moved beyond the individual, separate examination of these factors to the examination of potential interactions between alcohol intoxication and driver distraction. In many driving situations, distractions are commonplace and might have little or no disruptive influence on primary driving functions. Yet, such distractions might become disruptive to a driver who is intoxicated. Methods The present study examined the interactive impairing effects of alcohol intoxication and driver distraction on simulated driving performance in 40 young adult drivers using a divided attention task as a distracter activity. The interactive influence of alcohol and distraction was tested by having drivers perform the driving task under four different conditions: 0.65 g/kg alcohol; 0.65 g/kg alcohol + divided attention; placebo; and placebo + divided attention. Results As hypothesized, divided attention had no impairing effect on driving performance in sober drivers. However, under alcohol, divided attention exacerbated the impairing effects of alcohol on driving precision. Conclusions Alcohol and distraction continue to be appropriate targets for research into ways to reduce the rates of driving-related fatalities and injuries. Greater consideration of how alcohol and distraction interact to impair aspects of driving performance can further efforts to create prevention and intervention measures to protect drivers, particularly young adults. PMID:21277119

Alcohol and distraction interact to impair driving performance.

Science.gov (United States)

Harrison, Emily L R; Fillmore, Mark T

2011-08-01

Recognition of the risks associated with alcohol intoxication and driver distraction has led to a wealth of simulated driving research aimed at studying the adverse effects of each of these factors. Research on driving has moved beyond the individual, separate examination of these factors to the examination of potential interactions between alcohol intoxication and driver distraction. In many driving situations, distractions are commonplace and might have little or no disruptive influence on primary driving functions. Yet, such distractions might become disruptive to a driver who is intoxicated. The present study examined the interactive impairing effects of alcohol intoxication and driver distraction on simulated driving performance in 40 young adult drivers using a divided attention task as a distracter activity. The interactive influence of alcohol and distraction was tested by having drivers perform the driving task under four different conditions: 0.65 g/kg alcohol; 0.65 g/kg alcohol+divided attention; placebo; and placebo+divided attention. As hypothesized, divided attention had no impairing effect on driving performance in sober drivers. However, under alcohol, divided attention exacerbated the impairing effects of alcohol on driving precision. Alcohol and distraction continue to be appropriate targets for research into ways to reduce the rates of driving-related fatalities and injuries. Greater consideration of how alcohol and distraction interact to impair aspects of driving performance can further efforts to create prevention and intervention measures to protect drivers, particularly young adults. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

SIPSON--simulation of interaction between pipe flow and surface overland flow in networks.

Science.gov (United States)

Djordjević, S; Prodanović, D; Maksimović, C; Ivetić, M; Savić, D

2005-01-01

The new simulation model, named SIPSON, based on the Preissmann finite difference method and the conjugate gradient method, is presented in the paper. This model simulates conditions when the hydraulic capacity of a sewer system is exceeded, pipe flow is pressurized, the water flows out from the piped system to the streets, and the inlets cannot capture all the runoff. In the mathematical model, buried structures and pipelines, together with surface channels, make a horizontally and vertically looped network involving a complex interaction of flows. In this paper, special internal boundary conditions related to equivalent inlets are discussed. Procedures are described for the simulation of manhole cover loss, basement flooding, the representation of street geometry, and the distribution of runoff hydrographs between surface and underground networks. All these procedures are built into the simulation model. Relevant issues are illustrated on a set of examples, focusing on specific parameters and comparison with field measurements of flooding of the Motilal ki Chal catchment (Indore, India). Satisfactory agreement of observed and simulated hydrographs and maximum surface flooding levels is obtained. It is concluded that the presented approach is an improvement compared to the standard "virtual reservoir" approach commonly applied in most of the models.

Modeling the dynamics of a storm-time acceleration event: combining MHD effects with wave-particle interactions

Science.gov (United States)

Elkington, S. R.; Alam, S. S.; Chan, A. A.; Albert, J.; Jaynes, A. N.; Baker, D. N.; Wiltberger, M. J.

2017-12-01

Global simulations of radiation belt dynamics are often undertaken using either a transport formalism (e.g. Fokker-Plank), or via test particle simulations in model electric and magnetic fields. While transport formalisms offer computational efficiency and the ability to deal with a wide range of wave-particle interactions, they typically rely on simplified background fields, and often are limited to empirically-specified stochastic (diffusive) wave-particle interactions. On the other hand, test particle simulations may be carried out in global MHD simulations that include realistic physical effects such as magnetopause shadowing, convection, and substorm injections, but lack the ability to handle physics outside the MHD approximation in the realm of higher frequency (kHz) wave populations.In this work we introduce a comprehensive simulation framework combining global MHD/test particle techniques to provide realistic background fields and radial transport processes, with a Stochastic Differential Equation (SDE) method for addressing high frequency wave-particle interactions. We examine the March 17, 2013 storm-time acceleration period, an NSF-GEM focus challenge event, and use the framework to examine the relative importance of physical effects such as magnetopause shadowing, diffusive and advective transport processes, and wave-particle interactions through the various phases of the storm.

The influence of interactions between market segmentation strategy and competition on organizational performance. A simulation study.

OpenAIRE

Dolnicar, Sara; Freitag, Roman

2003-01-01

A computer simulation study is conducted to explore the interaction of alternative segmentation strategies and the competitiveness of the market environment, a goal that can neither be tackled by purely analytic approaches nor is sufficient and undistorted real market data available to deduct findings in an empirical manner. The fundamental idea of the simulation is to increase competition in the artificial marketplace and to study the influence of segmentation strategy and varying market con...

Direct Numerical Simulation of Passive Scalar Mixing in Shock Turbulence Interaction

Science.gov (United States)

Gao, Xiangyu; Bermejo-Moreno, Ivan; Larsson, Johan

2017-11-01

Passive scalar mixing in the canonical shock-turbulence interaction configuration is investigated through shock-capturing Direct Numerical Simulations (DNS). Scalar fields with different Schmidt numbers are transported by an initially isotropic turbulent flow field passing across a nominally planar shock wave. A solution-adaptive hybrid numerical scheme on Cartesian structured grids is used, that combines a fifth-order WENO scheme near shocks and a sixth-order central-difference scheme away from shocks. The simulations target variations in the shock Mach number, M (from 1.5 to 3), turbulent Mach number, Mt (from 0.1 to 0.4, including wrinkled- and broken-shock regimes), and scalar Schmidt numbers, Sc (from 0.5 to 2), while keeping the Taylor microscale Reynolds number constant (Reλ 40). The effects on passive scalar statistics are investigated, including the streamwise evolution of scalar variance budgets, pdfs and spectra, in comparison with their temporal evolution in decaying isotropic turbulence.

Theory of Planned Behavior in the Classroom: An Examination of the Instructor Confirmation-Interaction Model

Science.gov (United States)

Burns, Michael E.; Houser, Marian L.; Farris, Kristen LeBlanc

2018-01-01

The current study utilizes the theory of planned behavior (Ajzen "Organizational Behavior and Human Decision Processes," 50, 179-211 Ajzen 1991) to examine an instructor confirmation-interaction model in the instructional communication context to discover a means by which instructors might cultivate positive student attitudes and…

Interaction of a Mach 2.25 turbulent boundary layer with a fluttering panel using direct numerical simulation

Science.gov (United States)

Bodony, Daniel; Ostoich, Christopher; Geubelle, Philippe

2013-11-01

The interaction between a thin metallic panel and a Mach 2.25 turbulent boundary layer is investigated using a direct numerical simulation approach for coupled fluid-structure problems. The solid solution uses a finite-strain, finite-deformation formulation, while the direct numerical simulation of the boundary layer uses a finite-difference compressible Navier-Stokes solver. The initially laminar boundary layer contains low amplitude unstable eigenmodes that grow in time and excite traveling bending waves in the panel. As the boundary layer transitions to a fully turbulent state, with Reθ ~ 1200 , the panel's bending waves coalesce into a standing wave pattern exhibiting flutter with a final amplitude approximately 20 times the panel thickness. The corresponding panel deflection is roughly 25 wall units and reaches across the sonic line in the boundary layer profile. Once it reaches a limit cycle state, the panel/boundary layer system is examined in detail where it is found that turbulence statistics, especially the main Reynolds stress - , appear to be modified by the presence of the compliant panel, the effect of which is forgotten within one integral length downstream of the panel. Supported by the U.S. Air Force Research Laboratory Air Vehicles Directorate under contract number FA8650-06-2-3620.

IMPROVED PARAMETERIZATION OF WATER CLOUD MODEL FOR HYBRID-POLARIZED BACKSCATTER SIMULATION USING INTERACTION FACTOR

Directory of Open Access Journals (Sweden)

S. Chauhan

2017-07-01

Full Text Available The prime aim of this study was to assess the potential of semi-empirical water cloud model (WCM in simulating hybrid-polarized SAR backscatter signatures (RH and RV retrieved from RISAT-1 data and integrate the results into a graphical user interface (GUI to facilitate easy comprehension and interpretation. A predominant agricultural wheat growing area was selected in Mathura and Bharatpur districts located in the Indian states of Uttar Pradesh and Rajasthan respectively to carry out the study. The three-date datasets were acquired covering the crucial growth stages of the wheat crop. In synchrony, the fieldwork was organized to measure crop/soil parameters. The RH and RV backscattering coefficient images were extracted from the SAR data for all the three dates. The effect of four combinations of vegetation descriptors (V1 and V2 viz., LAI-LAI, LAI-Plant water content (PWC, Leaf water area index (LWAI-LWAI, and LAI-Interaction factor (IF on the total RH and RV backscatter was analyzed. The results revealed that WCM calibrated with LAI and IF as the two vegetation descriptors simulated the total RH and RV backscatter values with highest R2 of 0.90 and 0.85 while the RMSE was lowest among the other tested models (1.18 and 1.25 dB, respectively. The theoretical considerations and interpretations have been discussed and examined in the paper. The novelty of this work emanates from the fact that it is a first step towards the modeling of hybrid-polarized backscatter data using an accurately parameterized semi-empirical approach.

Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

Science.gov (United States)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

Simulation study on exchange interaction and unique magnetization near ferromagnetic morphotropic phase boundary.

Science.gov (United States)

Wei, Songrui; Liao, Xiaoqi; Gao, Yipeng; Yang, Sen; Wang, Dong; Song, Xiaoping

2017-11-08

Extensive efforts have been made in searching enhanced functionalities near the so-called morphotropic phase boundaries (MPBs) in both ferroelectric and ferromagnetic materials. Due to the exchange anti-symmetry of the wave function of fermions, it is widely recognized that the exchange interaction plays a critical role in ferromagnetism. As a quantum effect, the exchange interaction is magnitudes larger than electric interaction, leading to a fundamental difference between ferroelectricity and ferromagnetism. In this paper, we establish an energetic model capturing the interplay among the anisotropy energy, magnetostatic energy and the exchange energy to investigate systematically the effects of the exchange energy on the behavior of the ferromagnetic MPB. For the first time, it is found that the exchange energy can narrow the width of MPB region in the composition temperature phase diagram for ferromagnetic MPB systems. As temperature increases, MPB region becomes wider because of the weakening of the exchange interaction. Our simulation results suggest that the exchange energy play a critical role on the unique behavior of ferromagnetic MPB, which is in contrast different from that of ferroelectric MPB.

Hot interstellar tunnels. I. Simulation of interacting supernova remnants

International Nuclear Information System (INIS)

Smith, B.W.

1977-01-01

Reexamining a suggestion of Cox and Smith, we find that intersecting supernova remnants can indeed generate and maintain hot interstellar regions with napproximately-less-than10 -2 cm -3 and Tapprox.10 6 K. These regions are likely to occupy at least 30% of the volume of a spiral arm near the midplane of the gaseous disk if the local supernova rate there is greater than 1.5 x 10 -7 Myr -1 pc -3 . Their presence in the interstellar medium is supported by observations of the soft X-ray background. The theory required to build a numerical simulation of interacting supernova remnants is developed. The hot cavities within a population of remnants will become connected for a variety of assumed conditions in the outer shells of old remnants. Extensive hot cavity regions or tunnels are built and enlarged by supernovae occurring in relatively dense gas which produce connections, but tunnels are kept hot primarily by supernovae occurring within the tunnels. The latter supernovae initiate fast shock waves which apparently reheat tunnels faster than they are destroyed by thermal conduction in a galactic magnetic field or by radiative cooling. However, the dispersal of these rejuvenating shocks over a wide volume is inhibited by motions of cooler interstellar gas in the interval between shocks. These motions disrupt the contiguity of the component cavities of a tunnel and may cause its death.The Monte Carlo simulations indicate that a quasi-equilibrium is reached within 10 7 years of the first supernova in a spiral arm. This equilibrium is characterized by a constant average filling fraction for cavities in the interstellar volume. Aspects of the equilibrium are discussed for a range of supernova rates. Two predictions of Cox and Smith are not confirmed within this range: critical growth of hot regions to encompass the entire medium, and the efficient quenching of a remnant's expansion by interaction with other cavities

Students' interaction for enhancing learning motivation and learning success: findings from integrating a simulation game into a university course

OpenAIRE

Otto, Daniel

2017-01-01

In recent decades, a vast amount of literature has been published discussing the educational use of simulation games in higher education. Since their emergence in the 1960s, simulation games have had a substantial effect on the way we think about teaching and learning in higher education. One reason simulation games are regarded as superior to traditional teaching is that they encourage students to interact and collaborate. Simulation games can therefore be subsumed under Kolbs learning model...

Simulated solar wind plasma interaction with the Martian exosphere: influence of the solar EUV flux on the bow shock and the magnetic pile-up boundary

Directory of Open Access Journals (Sweden)

R. Modolo

2006-12-01

Full Text Available The solar wind plasma interaction with the Martian exosphere is investigated by means of 3-D multi-species hybrid simulations. The influence of the solar EUV flux on the bow shock and the magnetic pile-up boundary is examined by comparing two simulations describing the two extreme states of the solar cycle. The hybrid formalism allows a kinetic description of each ions species and a fluid description of electrons. The ionization processes (photoionization, electron impact and charge exchange are included self-consistently in the model where the production rate is computed locally, separately for each ionization act and for each neutral species. The results of simulations are in a reasonable agreement with the observations made by Phobos 2 and Mars Global Surveyor spacecraft. The position of the bow shock and the magnetic pile-up boundary is weakly dependent of the solar EUV flux. The motional electric field creates strong asymmetries for the two plasma boundaries.

Development of a graphical user interface allowing use of the SASSYS LMR systems analysis code as an EBR-II interactive simulator

International Nuclear Information System (INIS)

Garner, P.L.; Briggs, L.L.; Gross, K.C.; Ku, J.Y.; Staffon, J.D.

1994-01-01

The SASSYS computer program for safety analyses of liquid-metal- cooled fast reactors has been adapted for use as the simulation engine under the graphical user interface provided by the GRAFUN and HIST programs and the Data Views software package under the X Window System on UNIX-based computer workstations to provide a high fidelity, real-time, interactive simulator of the Experimental Breeder Reactor Number II (EBR-II) plant. In addition to providing analysts with an interactive way of performing safety case studies, the simulator can be used to investigate new control room technologies and to supplement current operator training

Associations between Young Adult Romantic Relationship Quality and Problem Behaviors: An Examination of Personality-Environment Interactions

NARCIS (Netherlands)

Yu, Rongqin; Branje, Susan; Keijsers, Loes; Meeus, Wim

2015-01-01

This longitudinal study examined person-environment interplay by testing interaction effects between adolescent personality type (i.e., overcontrollers, undercontrollers, and resilients) and young adult romantic relationship quality on young adult delinquency and anxiety. The study employed six

Associations between young adult romantic relationship quality and problem behaviors : An examination of personality-environment interactions

NARCIS (Netherlands)

Yu, Rongqin; Branje, Susan; Keijsers, Loes; Meeus, W.H.J.

This longitudinal study examined person–environment interplay by testing interaction effects between adolescent personality type (i.e., overcontrollers, undercontrollers, and resilients) and young adult romantic relationship quality on young adult delinquency and anxiety. The study employed six

Examining Ankle-Joint Laxity Using 2 Knee Positions and With Simulated Muscle Guarding.

Science.gov (United States)

Hanlon, Shawn; Caccese, Jaclyn; Knight, Christopher A; Swanik, Charles Buz; Kaminski, Thomas W

2016-02-01

Several factors affect the reliability of the anterior drawer and talar tilt tests, including the individual clinician's experience and skill, ankle and knee positioning, and muscle guarding. To compare gastrocnemius activity during the measurement of ankle-complex motion at different knee positions, and secondarily, to compare ankle-complex motion during a simulated trial of muscle guarding. Cross-sectional study. Research laboratory. Thirty-three participants aged 20.2 ± 1.7 years were tested. The ankle was loaded under 2 test conditions (relaxed, simulated muscle guarding) at 2 knee positions (0°, 90° of flexion) while gastrocnemius electromyography (EMG) activity was recorded. Anterior displacement (mm), inversion-eversion motion (°), and peak EMG amplitude values of the gastrocnemius (μV). Anterior displacement did not differ between the positions of 0° and 90° of knee flexion (P = .193). Inversion-eversion motion was greater at 0° of knee flexion compared with 90° (P ankle laxity at the 2 most common knee positions for anterior drawer testing; however, talar tilt testing may be best performed with the knee in 0° of knee flexion. Finally, our outcomes from the simulated muscle-guarding condition suggest that clinicians should use caution and be aware of reduced perceived laxity when performing these clinical examination techniques immediately postinjury.

Parental Anxiety and Child Symptomatology: An Examination of Additive and Interactive Effects of Parent Psychopathology

Science.gov (United States)

Burstein, Marcy; Ginsburg, Golda S.; Tein, Jenn-Yun

2010-01-01

The current study examined relations between parent anxiety and child anxiety, depression, and externalizing symptoms. In addition, the study tested the additive and interactive effects of parent anxiety with parent depression and externalizing symptoms in relation to child symptoms. Forty-eight parents with anxiety disorders and 49 parents…

Effects of non-adiabatic walls on shock/boundary-layer interaction using direct numerical simulations

Science.gov (United States)

Volpiani, Pedro S.; Bernardini, Matteo; Larsson, Johan

2017-11-01

The influence of wall thermal conditions on the properties of an impinging shock wave interacting with a turbulent supersonic boundary layer is a research topic that still remains underexplored. In the present study, direct numerical simulations (DNS) are employed to investigate the flow properties of a shock wave interacting with a turbulent boundary layer at free-stream Mach number M∞ = 2.28 with distinct wall thermal conditions and shock strengths. Instantaneous and mean flow fields, wall quantities and the low-frequency unsteadiness are analyzed. While heating contributes to increase the extent of the interaction zone, wall cooling turns out to be a good candidate for flow control. The distribution of the Stanton number shows a good agreement with prior experimental studies and confirms the strong heat transfer and complex pattern within the interaction region. Numerical results indicate that the changes in the interaction length are mainly linked to the incoming boundary layer as suggested in previous studies (Souverein et al., 2013 and Jaunet et al., 2014). This work was supported by the Air Force Office of Scientific Research, Grant FA95501610385.

Simulation technique for slurries interacting with moving parts and deformable solids with applications

Science.gov (United States)

Mutabaruka, Patrick; Kamrin, Ken

2018-04-01

A numerical method for particle-laden fluids interacting with a deformable solid domain and mobile rigid parts is proposed and implemented in a full engineering system. The fluid domain is modeled with a lattice Boltzmann representation, the particles and rigid parts are modeled with a discrete element representation, and the deformable solid domain is modeled using a Lagrangian mesh. The main issue of this work, since separately each of these methods is a mature tool, is to develop coupling and model-reduction approaches in order to efficiently simulate coupled problems of this nature, as in various geological and engineering applications. The lattice Boltzmann method incorporates a large eddy simulation technique using the Smagorinsky turbulence model. The discrete element method incorporates spherical and polyhedral particles for stiff contact interactions. A neo-Hookean hyperelastic model is used for the deformable solid. We provide a detailed description of how to couple the three solvers within a unified algorithm. The technique we propose for rubber modeling/coupling exploits a simplification that prevents having to solve a finite-element problem at each time step. We also developed a technique to reduce the domain size of the full system by replacing certain zones with quasi-analytic solutions, which act as effective boundary conditions for the lattice Boltzmann method. The major ingredients of the routine are separately validated. To demonstrate the coupled method in full, we simulate slurry flows in two kinds of piston valve geometries. The dynamics of the valve and slurry are studied and reported over a large range of input parameters.

Anandamide-ceramide interactions in a membrane environment: Molecular dynamic simulations data.

Science.gov (United States)

Di Scala, Coralie; Mazzarino, Morgane; Yahi, Nouara; Varini, Karine; Garmy, Nicolas; Fantini, Jacques; Chahinian, Henri

2017-10-01

Anandamide is a lipid neurotransmitter that interacts with various plasma membrane lipids. The data here consists of molecular dynamics simulations of anandamide, C18-ceramide and cholesterol performed in vacuo and within a hydrated palmitoyl-oleoyl-phosphatidylcholine (POPC)/cholesterol membrane. Several models of anandamide/cholesterol and anandamide/ceramide complexes are presented. The energy of interaction and the nature of the intermolecular forces involved in each of these complexes are detailed. The impact of water molecules hydrating the POPC/cholesterol membrane for the stability of the anandamide/cholesterol and anandamide/ceramide complexes is also analyzed. From a total number of 1920 water molecules stochatiscally merged with the lipid matrix, 48 were eventually redistributed around the polar head groups of the anandamide/ceramide complex, whereas only 15 reached with the anandamide/cholesterol complex. The interpretation of this dataset is presented in the accompanying article "Ceramide binding to anandamide increases its half-life and potentiates its cytotoxicity in human neuroblastoma cells" [1].

Design, Development, and Innovation of an Interactive Multimedia Training Simulator for Responding to Air Transportation Bomb Threats

Science.gov (United States)

Chung, Christopher A.; Marwaha, Shweta

2005-01-01

This paper describes an interactive multimedia simulator for air transportation bomb threat training. The objective of this project is to improve the air transportation sector s capability to respond to bomb threats received by commercial airports and aircraft. The simulator provides realistic training on receiving and responding to a variety of bomb threats that might not otherwise be possible due to time, cost, or operational constraints. Validation analysis indicates that the use of the simulator resulted in statistically significant increases in individual ability to respond to these types of bomb threats.

Molecular dynamics simulations of interactions between energetic dust and plasma-facing materials

International Nuclear Information System (INIS)

Niu, Guo-jian; Li, Xiao-chun; Xu, Qian; Yang, Zhong-shi; Luo, Guang-nan

2015-01-01

The interactions between dust and plasma-facing material (PFM) relate to the lifetime of PFM and impurity production. Series results have been obtained theoretically and experimentally but more detailed studies are needed. In present research, we investigate the evolution of kinetic, potential and total energy of plasma-facing material (PFM) in order to understand the dust/PFM interaction process. Three typical impacting energy are selected, i.e., 1, 10 and 100 keV/dust for low-, high- and hyper-energy impacting cases. For low impacting energy, dust particles stick on PFM surface without damaging it. Two typical time points exist and the temperature of PFM grows all the time but PFM structure experience a modifying process. Under high energy case, three typical points appear. The temperature curve fluctuates in the whole interaction process which indicates there are dust/PFM and kinetic/potential energy exchanges. In the hyper-energy case in present simulation, the violence dust/PFM interactions cause sputtering and crater investigating on energy evolution curves. We further propose the statistics of energy distribution. Results show that about half of impacting energy consumes on heating plasma-facing material meanwhile the other half on PFM structure deformation. Only a small proportion becomes kinetic energy of interstitial or sputtering atoms.

Molecular dynamics simulations of interactions between energetic dust and plasma-facing materials

Energy Technology Data Exchange (ETDEWEB)

Niu, Guo-jian, E-mail: niugj@ipp.ac.cn [Institute of Plasma Physics Chinese Academy of Sciences, Hefei (China); Li, Xiao-chun; Xu, Qian; Yang, Zhong-shi [Hefei Center Physical Science and Technology, Hefei (China); Luo, Guang-nan [Institute of Plasma Physics Chinese Academy of Sciences, Hefei (China); Hefei Center Physical Science and Technology, Hefei (China); Hefei Science Center of CAS, Hefei (China)

2015-11-15

The interactions between dust and plasma-facing material (PFM) relate to the lifetime of PFM and impurity production. Series results have been obtained theoretically and experimentally but more detailed studies are needed. In present research, we investigate the evolution of kinetic, potential and total energy of plasma-facing material (PFM) in order to understand the dust/PFM interaction process. Three typical impacting energy are selected, i.e., 1, 10 and 100 keV/dust for low-, high- and hyper-energy impacting cases. For low impacting energy, dust particles stick on PFM surface without damaging it. Two typical time points exist and the temperature of PFM grows all the time but PFM structure experience a modifying process. Under high energy case, three typical points appear. The temperature curve fluctuates in the whole interaction process which indicates there are dust/PFM and kinetic/potential energy exchanges. In the hyper-energy case in present simulation, the violence dust/PFM interactions cause sputtering and crater investigating on energy evolution curves. We further propose the statistics of energy distribution. Results show that about half of impacting energy consumes on heating plasma-facing material meanwhile the other half on PFM structure deformation. Only a small proportion becomes kinetic energy of interstitial or sputtering atoms.

A parallel interaction potential approach coupled with the immersed boundary method for fully resolved simulations of deformable interfaces and membranes

Science.gov (United States)

Spandan, Vamsi; Meschini, Valentina; Ostilla-Mónico, Rodolfo; Lohse, Detlef; Querzoli, Giorgio; de Tullio, Marco D.; Verzicco, Roberto

2017-11-01

In this paper we show and discuss how the deformation dynamics of closed liquid-liquid interfaces (for example drops and bubbles) can be replicated with use of a phenomenological interaction potential model. This new approach to simulate liquid-liquid interfaces is based on the fundamental principle of minimum potential energy where the total potential energy depends on the extent of deformation of a spring network distributed on the surface of the immersed drop or bubble. Simulating liquid-liquid interfaces using this model require computing ad-hoc elastic constants which is done through a reverse-engineered approach. The results from our simulations agree very well with previous studies on the deformation of drops in standard flow configurations such as a deforming drop in a shear flow or cross flow. The interaction potential model is highly versatile, computationally efficient and can be easily incorporated into generic single phase fluid solvers to also simulate complex fluid-structure interaction problems. This is shown by simulating flow in the left ventricle of the heart with mechanical and natural mitral valves where the imposed flow, motion of ventricle and valves dynamically govern the behaviour of each other. Results from these simulations are compared with ad-hoc in-house experimental measurements. Finally, we present a simple and easy to implement parallelisation scheme, as high performance computing is unavoidable when studying large scale problems involving several thousands of simultaneously deforming bodies in highly turbulent flows.

How to satisfy the energy-momentum conservation law and to take into account Fermi motion of constituents in simulation of compound system interactions

International Nuclear Information System (INIS)

Uzhinskij, V.V.; Shmakov, S.Yu.

1988-01-01

A method is suggested which enables one to take unto account the Fermi motion of nuclear nucleons in Monte-Carlo simulation of exclusive states in hadron-nucleus and nucleus-nucleus interactions and, in hadron-hadron interaction simulation, to take into account the quark transverse momentum without violation of the energy-momentum conservation law

Simulation of pellet-cladding interaction with the Pleiades fuel performance software environment

International Nuclear Information System (INIS)

Michel, B.; Nonon, C.; Sercombe, J.; Michel, F.; Marelle, V.

2013-01-01

This paper focuses on the PLEIADES fuel performance software environment and its application to the modeling of pellet-cladding interaction (PCI). The PLEIADES platform has been under development for 10 yr; a unified software environment, including the multidimensional finite element solver CAST3M, has been used to develop eight computation schemes now under operation. Among the latter, the ALCYONE application is devoted to pressurized water reactor fuel rod behavior. This application provides a three-dimensional (3-D) model for a detailed analysis of fuel element behavior and enables validation through comparing simulation and post-irradiation examination results (cladding residual diameter and ridges, dishing filling, pellet cracking, etc.). These last years the 3-D computation scheme of the ALCYONE application has been enriched with a complete set of physical models to take into account thermomechanical and chemical-physical behavior of the fuel element under irradiation. These models have been validated through the ALCYONE application on a large experimental database composed of approximately 400 study cases. The strong point of the ALCYONE application concerns the local approach of stress-corrosion-cracking rupture under PCI, which can be computed with the 3-D finite element solver. Further developments for PCI modeling in the PLEIADES platform are devoted to a new mesh refinement method for assessing stress-and-strain concentration (multigrid technique) and a new component for assessing fission product chemical recombination. (authors)

Cloud Service for Interactive Simulation of Interregional Trade

Directory of Open Access Journals (Sweden)

A. S. Velichko

2016-01-01

Full Text Available The paper describes a mathematical model of trade flows between the territories of a region or a country in a transport network having one or more different types of marine or ground transportation. We use the approach of modeling complex communication systems to determine the most probable values of flows in case of incomplete information about the system. Transport costs between the territories are modeled within the framework of the gravity model. The payment for transportation depends on the distance between regions, the distance is estimated as the shortest way length in a given transport network or geographical distance. The mathematical formulation of the problem belongs to the class of convex mathematical programming problems and assumes the numerical solution of nonlinear optimization problem with linear constraints. Based on the model, the software is implemented as a cloud service on heterogeneous computing architectures: the simulation module is made on a highperformance server platform, management and visualization modules are produced with IACPaaS cloud platform. Communication between the platforms is established via asynchronous http-queries. For information exchange between the modules the declarative model with JSON format is developed and implemented for the objects considered in the mathematical model which are products, areas and communications. Visualization module allows to present graphically the original and the resulting matrix data and to modify the input parameters of the model interactively. The paper demonstrates the use of software for the simulation of inter-regional freight traffic of the Russian Far East region based on input data provided by open statistics sources.

Interaction of single-pulse laser energy with bow shock in hypersonic flow

Directory of Open Access Journals (Sweden)

Hong Yanji

2014-04-01

Full Text Available Pressure sensing and schlieren imaging with high resolution and sensitivity are applied to the study of the interaction of single-pulse laser energy with bow shock at Mach 5. An Nd:YAG laser operated at 1.06 μm, 100 mJ pulse energy is used to break down the hypersonic flow in a shock tunnel. Three-dimensional Navier–Stokes equations are solved with an upwind scheme to simulate the interaction. The pressure at the stagnation point on the blunt body is measured and calculated to examine the pressure variation during the interaction. Schlieren imaging is used in conjunction with the calculated density gradients to examine the process of the interaction. The results show that the experimental pressure at the stagnation point on the blunt body and schlieren imaging fit well with the simulation. The pressure at the stagnation point on the blunt body will increase when the transmission shock approaches the blunt body and decrease with the formation of the rarefied wave. Bow shock is deformed during the interaction. Quasi-stationary waves are formed by high rate laser energy deposition to control the bow shock. The pressure and temperature at the stagnation point on the blunt body and the wave drag are reduced to 50%, 75% and 81% respectively according to the simulation. Schlieren imaging has provided important information for the investigation of the mechanism of the interaction.

WavePropaGator: interactive framework for X-ray free-electron laser optics design and simulations.

Science.gov (United States)

Samoylova, Liubov; Buzmakov, Alexey; Chubar, Oleg; Sinn, Harald

2016-08-01

This article describes the WavePropaGator ( WPG ) package, a new interactive software framework for coherent and partially coherent X-ray wavefront propagation simulations. The package has been developed at European XFEL for users at the existing and emerging free-electron laser (FEL) facilities, as well as at the third-generation synchrotron sources and future diffraction-limited storage rings. The WPG addresses the needs of beamline scientists and user groups to facilitate the design, optimization and improvement of X-ray optics to meet their experimental requirements. The package uses the Synchrotron Radiation Workshop ( SRW ) C/C++ library and its Python binding for numerical wavefront propagation simulations. The framework runs reliably under Linux, Microsoft Windows 7 and Apple Mac OS X and is distributed under an open-source license. The available tools allow for varying source parameters and optics layouts and visualizing the results interactively. The wavefront history structure can be used for tracking changes in every particular wavefront during propagation. The batch propagation mode enables processing of multiple wavefronts in workflow mode. The paper presents a general description of the package and gives some recent application examples, including modeling of full X-ray FEL beamlines and start-to-end simulation of experiments.

Caffeine and Sugars Interact in Aqueous Solutions: A Simulation and NMR Study

OpenAIRE

Tavagnacco, Letizia; Engström, Olof; Schnupf, Udo; Saboungi, Marie-Louise; Himmel, Michael; Widmalm, Göran; Cesàro, Attilio; Brady, John W.

2012-01-01

Molecular dynamics simulations were carried out on several systems of caffeine interacting with simple sugars. These included a single caffeine molecule in a 3 molal solution of α-D-glucopyranose, at a caffeine concentration of 0.083 molal; a single caffeine in a 3 molal solution of β-D-glucopyranose, and a single caffeine molecule in a 1.08 molal solution of sucrose (table sugar). Parallel Nuclear Magnetic Resonance titration experiments were carried out on the same solutions under similar c...

Regimes of seasonal air-sea interaction and implications for performance of forced simulations

Energy Technology Data Exchange (ETDEWEB)

Wu, Renguang [Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); Kirtman, Ben P. [Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); George Mason University, School of Computational Sciences, Fairfax, VA (United States)

2007-09-15

Sea surface temperature (SST) anomalies can induce anomalous convection through surface evaporation and low-level moisture convergence. This SST forcing of the atmosphere is indicated in a positive local rainfall-SST correlation. Anomalous convection can feedback on SST through cloud-radiation and wind-evaporation effects and wind-induced oceanic mixing and upwelling. These atmospheric feedbacks are reflected in a negative local rainfall-SST tendency correlation. As such, the simultaneous rainfall-SST and rainfall-SST tendency correlations can indicate the nature of local air-sea interactions. Based on the magnitude of simultaneous rainfall-SST and rainfall-SST tendency correlations, the present study identifies three distinct regimes of local air-sea interactions. The relative importance of SST forcing and atmospheric forcing differs in these regimes. In the equatorial central-eastern Pacific and, to a smaller degree, in the western equatorial Indian Ocean, SST forcing dominates throughout the year and the surface heat flux acts mainly as a damping term. In the tropical Indo-western Pacific Ocean regions, SST forcing and atmospheric forcing dominate alternatively in different seasons. Atmospheric forcing dominates in the local warm/rainy season. SST forcing dominates with a positive wind-evaporation feedback during the transition to the cold/dry season. SST forcing also dominates during the transition to the warm/rainy season but with a negative cloud-radiation feedback. The performance of atmospheric general circulation model simulations forced by observed SST is closely linked to the regime of air-sea interaction. The forced simulations have good performance when SST forcing dominates. The performance is low or poor when atmospheric forcing dominates. (orig.)

Dose estimation of patients in CT examinations using EGS4 Monte-Carlo simulation of voxel phantom

International Nuclear Information System (INIS)

Akahane, K.; Kai, M.; Kusama, T.; Saito, K.

2002-01-01

A voxel phantom based on CT images of one Japanese male have developed in Japan Atomic Energy Research Institute. Dose calculations of patients in X-ray CT examinations were performed using the voxel phantom and EGS4 Monte-Carlo simulation code. The organ doses of the patients were estimated

Dose estimation of patients in CT examinations using EGS4 Monte-Carlo simulation of voxel phantom

Energy Technology Data Exchange (ETDEWEB)

Akahane, K.; Kai, M.; Kusama, T. [Oita Univ., of Nursing and Health Sciences, Oita-Ken (Japan); Saito, K. [JAERI, Ibaraki-ken (Japan)

2002-07-01

A voxel phantom based on CT images of one Japanese male have developed in Japan Atomic Energy Research Institute. Dose calculations of patients in X-ray CT examinations were performed using the voxel phantom and EGS4 Monte-Carlo simulation code. The organ doses of the patients were estimated.

Population reversal driven by unrestrained interactions in molecular dynamics simulations: A dialanine model

Directory of Open Access Journals (Sweden)

Filippo Pullara

2015-10-01

Full Text Available Standard Molecular Dynamics simulations (MD are usually performed under periodic boundary conditions using the well-established “Ewald summation”. This implies that the distance among each element in a given lattice cell and its corresponding element in another cell, as well as their relative orientations, are constant. Consequently, protein-protein interactions between proteins in different cells—important in many biological activities, such as protein cooperativity and physiological/pathological aggregation—are severely restricted, and features driven by protein-protein interactions are lost. The consequences of these restrictions, although conceptually understood and mentioned in the literature, have not been quantitatively studied before. The effect of protein-protein interactions on the free energy landscape of a model system, dialanine, is presented. This simple system features a free energy diagram with well-separated minima. It is found that, in the case of absence of peptide-peptide (p-p interactions, the ψ = 150° dihedral angle determines the most energetically favored conformation (global free-energy minimum. When strong p-p interactions are induced, the global minimum switches to the ψ = 0° conformation. This shows that the free-energy landscape of an individual molecule is dramatically affected by the presence of other freely interacting molecules of its same type. Results of the study suggest how taking into account p-p interactions in MD allows having a more realistic picture of system activity and functional conformations.

Experimental validation of the fluid–structure interaction simulation of a bioprosthetic aortic heart valve

International Nuclear Information System (INIS)

Kemp, I.; Dellimore, K.; Rodriguez, R.; Scheffer, C.; Blaine, D.; Weich, H.; Doubell, A.

2013-01-01

Experiments performed on a 19 mm diameter bioprosthetic valve were used to successfully validate the fluid–structure interaction (FSI) simulation of an aortic valve at 72 bpm. The FSI simulation was initialized via a novel approach utilizing a Doppler sonogram of the experimentally tested valve. Using this approach very close quantitative agreement (≤12.5 %) between the numerical predictions and experimental values for several key valve performance parameters, including the peak systolic transvalvular pressure gradient, rapid valve opening time and rapid valve closing time, was obtained. The predicted valve leaflet kinematics during opening and closing were also in good agreement with the experimental measurements.

Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis.

Directory of Open Access Journals (Sweden)

Yonghua Wang

Full Text Available MicroRNAs (miRNAs are endogenously produced approximately 21-nt riboregulators that associate with Argonaute (Ago proteins to direct mRNA cleavage or repress the translation of complementary RNAs. Capturing the molecular mechanisms of miRNA interacting with its target will not only reinforce the understanding of underlying RNA interference but also fuel the design of more effective small-interfering RNA strands. To address this, in the present work the RNA-bound (Ago-miRNA, Ago-miRNA-target and RNA-free Ago forms were analyzed by performing both molecular dynamics simulations and thermodynamic analysis. Based on the principal component analysis results of the simulation trajectories as well as the correlation analysis in fluctuations of residues, we discover that: 1 three important (PAZ, Mid and PIWI domains exist in Argonaute which define the global dynamics of the protein; 2 the interdomain correlated movements are so crucial for the interaction of Ago-RNAs that they not only facilitate the relaxation of the interactions between residues surrounding the RNA binding channel but also induce certain conformational changes; and 3 it is just these conformational changes that expand the cavity of the active site and open putative pathways for both the substrate uptake and product release. In addition, by thermodynamic analysis we also discover that for both the guide RNA 5'-end recognition and the facilitated site-specific cleavage of the target, the presence of two metal ions (of Mg(2+ plays a predominant role, and this conclusion is consistent with the observed enzyme catalytic cleavage activity in the ternary complex (Ago-miRNA-mRNA. Our results find that it is the set of arginine amino acids concentrated in the nucleotide-binding channel in Ago, instead of the conventionally-deemed seed base-paring, that makes greater contributions in stabilizing the binding of the nucleic acids to Ago.

Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis.

Science.gov (United States)

Wang, Yonghua; Li, Yan; Ma, Zhi; Yang, Wei; Ai, Chunzhi

2010-07-29

MicroRNAs (miRNAs) are endogenously produced approximately 21-nt riboregulators that associate with Argonaute (Ago) proteins to direct mRNA cleavage or repress the translation of complementary RNAs. Capturing the molecular mechanisms of miRNA interacting with its target will not only reinforce the understanding of underlying RNA interference but also fuel the design of more effective small-interfering RNA strands. To address this, in the present work the RNA-bound (Ago-miRNA, Ago-miRNA-target) and RNA-free Ago forms were analyzed by performing both molecular dynamics simulations and thermodynamic analysis. Based on the principal component analysis results of the simulation trajectories as well as the correlation analysis in fluctuations of residues, we discover that: 1) three important (PAZ, Mid and PIWI) domains exist in Argonaute which define the global dynamics of the protein; 2) the interdomain correlated movements are so crucial for the interaction of Ago-RNAs that they not only facilitate the relaxation of the interactions between residues surrounding the RNA binding channel but also induce certain conformational changes; and 3) it is just these conformational changes that expand the cavity of the active site and open putative pathways for both the substrate uptake and product release. In addition, by thermodynamic analysis we also discover that for both the guide RNA 5'-end recognition and the facilitated site-specific cleavage of the target, the presence of two metal ions (of Mg(2+)) plays a predominant role, and this conclusion is consistent with the observed enzyme catalytic cleavage activity in the ternary complex (Ago-miRNA-mRNA). Our results find that it is the set of arginine amino acids concentrated in the nucleotide-binding channel in Ago, instead of the conventionally-deemed seed base-paring, that makes greater contributions in stabilizing the binding of the nucleic acids to Ago.

Multiagent-Based Simulation of Temporal-Spatial Characteristics of Activity-Travel Patterns Using Interactive Reinforcement Learning

Directory of Open Access Journals (Sweden)

Min Yang

2014-01-01

Full Text Available We propose a multiagent-based reinforcement learning algorithm, in which the interactions between travelers and the environment are considered to simulate temporal-spatial characteristics of activity-travel patterns in a city. Road congestion degree is added to the reinforcement learning algorithm as a medium that passes the influence of one traveler’s decision to others. Meanwhile, the agents used in the algorithm are initialized from typical activity patterns extracted from the travel survey diary data of Shangyu city in China. In the simulation, both macroscopic activity-travel characteristics such as traffic flow spatial-temporal distribution and microscopic characteristics such as activity-travel schedules of each agent are obtained. Comparing the simulation results with the survey data, we find that deviation of the peak-hour traffic flow is less than 5%, while the correlation of the simulated versus survey location choice distribution is over 0.9.

A New Streamflow-Routing (SFR1) Package to Simulate Stream-Aquifer Interaction with MODFLOW-2000

Science.gov (United States)

Prudic, David E.; Konikow, Leonard F.; Banta, Edward R.

2004-01-01

stream reach is based on a mass-balance approach and accounts for exchanges with (inputs from or losses to) ground-water systems. Two test examples are used to illustrate some of the capabilities of the SFR1 Package. The first test simulation was designed to illustrate how pumping of ground water from an aquifer connected to streams can affect streamflow, depth, width, and streambed conductance using the different options. The second test simulation was designed to illustrate solute transport through interconnected lakes, streams, and aquifers. Because of the need to examine time series results from the model simulations, the Gage Package first described in the LAK3 documentation was revised to include time series results of selected variables (streamflows, stream depth and width, streambed conductance, solute concentrations, and solute loads) for specified stream reaches. The mass-balance or continuity approach for routing flow and solutes through a stream network may not be applicable for all interactions between streams and aquifers. The SFR1 Package is best suited for modeling long-term changes (months to hundreds of years) in ground-water flow and solute concentrations using averaged flows in streams. The Package is not recommended for modeling the transient exchange of water between streams and aquifers when the objective is to examine short-term (minutes to days) effects caused by rapidly changing streamflows.

Global simulation of interactions between groundwater and terrestrial ecosystems

Science.gov (United States)

Braakhekke, M. C.; Rebel, K.; Dekker, S. C.; Smith, B.; Van Beek, L. P.; Sutanudjaja, E.; van Kampenhout, L.; Wassen, M. J.

2016-12-01

In many places in the world ecosystems are influenced by the presence of a shallow groundwater table. In these regions upward water flux due to capillary rise increases soil moisture availability in the root zone, which has strong positive effect on evapotranspiration. Additionally it has important consequences for vegetation dynamics and fluxes of carbon and nitrogen. Under water limited conditions shallow groundwater stimulates vegetation productivity, and soil organic matter decomposition while under saturated conditions groundwater may have a negative effect on these processes due to lack of oxygen. Furthermore, since plant species differ with respect to their root distribution, preference for moisture conditions, and resistance to oxygen stress, shallow groundwater also influences vegetation type. Finally, processes such as denitrification and methane production occur under strictly anaerobic conditions and are thus strongly influenced by moisture availability. Most global hydrological models and several land surface models simulate groundwater table dynamics and their effects on land surface processes. However, these models typically have relatively simplistic representation of vegetation and do not consider changes in vegetation type and structure and are therefore less suitable to represent effects of groundwater on biogeochemical fluxes. Dynamic global vegetation models (DGVMs), describe land surface from an ecological perspective, combining detailed description of vegetation dynamics and structure and biogeochemical processes. These models are thus more appropriate to simulate the ecological and biogeochemical effects of groundwater interactions. However, currently virtually all DGVMs ignore these effects, assuming that water tables are too deep to affect soil moisture in the root zone. We have implemented a tight coupling between the dynamic global ecosystem model LPJ-GUESS and the global hydrological model PCR-GLOBWB. Using this coupled model we aim to

New electromagnetic particle simulation code for the analysis of spacecraft-plasma interactions

International Nuclear Information System (INIS)

Miyake, Yohei; Usui, Hideyuki

2009-01-01

A novel particle simulation code, the electromagnetic spacecraft environment simulator (EMSES), has been developed for the self-consistent analysis of spacecraft-plasma interactions on the full electromagnetic (EM) basis. EMSES includes several boundary treatments carefully coded for both longitudinal and transverse electric fields to satisfy perfect conductive surface conditions. For the longitudinal component, the following are considered: (1) the surface charge accumulation caused by impinging or emitted particles and (2) the surface charge redistribution, such that the surface becomes an equipotential. For item (1), a special treatment has been adopted for the current density calculated around the spacecraft surface, so that the charge accumulation occurs exactly on the surface. As a result, (1) is realized automatically in the updates of the charge density and the electric field through the current density. Item (2) is achieved by applying the capacity matrix method. Meanwhile, the transverse electric field is simply set to zero for components defined inside and tangential to the spacecraft surfaces. This paper also presents the validation of EMSES by performing test simulations for spacecraft charging and peculiar EM wave modes in a plasma sheath.

Exponentially more precise quantum simulation of fermions in the configuration interaction representation

Science.gov (United States)

Babbush, Ryan; Berry, Dominic W.; Sanders, Yuval R.; Kivlichan, Ian D.; Scherer, Artur; Wei, Annie Y.; Love, Peter J.; Aspuru-Guzik, Alán

2018-01-01

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in Babbush et al (2016 New Journal of Physics 18, 033032), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian known as the configuration interaction (CI) matrix. We construct and query the CI matrix oracle to allow for on-the-fly computation of molecular integrals in a way that is exponentially more efficient than classical numerical methods. Whereas second-quantized representations of the wavefunction require \\widetilde{{ O }}(N) qubits, where N is the number of single-particle spin-orbitals, the CI matrix representation requires \\widetilde{{ O }}(η ) qubits, where η \\ll N is the number of electrons in the molecule of interest. We show that the gate count of our algorithm scales at most as \\widetilde{{ O }}({η }2{N}3t).

Examining publication bias—a simulation-based evaluation of statistical tests on publication bias

Directory of Open Access Journals (Sweden)

Andreas Schneck

2017-11-01

Full Text Available Background Publication bias is a form of scientific misconduct. It threatens the validity of research results and the credibility of science. Although several tests on publication bias exist, no in-depth evaluations are available that examine which test performs best for different research settings. Methods Four tests on publication bias, Egger’s test (FAT, p-uniform, the test of excess significance (TES, as well as the caliper test, were evaluated in a Monte Carlo simulation. Two different types of publication bias and its degree (0%, 50%, 100% were simulated. The type of publication bias was defined either as file-drawer, meaning the repeated analysis of new datasets, or p-hacking, meaning the inclusion of covariates in order to obtain a significant result. In addition, the underlying effect (β = 0, 0.5, 1, 1.5, effect heterogeneity, the number of observations in the simulated primary studies (N = 100, 500, and the number of observations for the publication bias tests (K = 100, 1,000 were varied. Results All tests evaluated were able to identify publication bias both in the file-drawer and p-hacking condition. The false positive rates were, with the exception of the 15%- and 20%-caliper test, unbiased. The FAT had the largest statistical power in the file-drawer conditions, whereas under p-hacking the TES was, except under effect heterogeneity, slightly better. The CTs were, however, inferior to the other tests under effect homogeneity and had a decent statistical power only in conditions with 1,000 primary studies. Discussion The FAT is recommended as a test for publication bias in standard meta-analyses with no or only small effect heterogeneity. If two-sided publication bias is suspected as well as under p-hacking the TES is the first alternative to the FAT. The 5%-caliper test is recommended under conditions of effect heterogeneity and a large number of primary studies, which may be found if publication bias is examined in a

Interactive effects of soil-dwelling ants, ant mounds and simulated grazing on local plant community composition

NARCIS (Netherlands)

Veen, G.F.; Olff, H.

2011-01-01

Interactions between aboveground vertebrate herbivores and subterranean yellow meadow ants (Lasius flavus) can drive plant community patterns in grassland ecosystems. Here, we study the relative importance of the presence of ants (L. flavus) and ant mounds under different simulated grazing regimes

Event Generators for Simulating Heavy Ion Interactions of Interest in Evaluating Risks in Human Spaceflight

Science.gov (United States)

Wilson, Thomas L.; Pinsky, Lawrence; Andersen, Victor; Empl, Anton; Lee, Kerry; Smirmov, Georgi; Zapp, Neal; Ferrari, Alfredo; Tsoulou, Katerina; Roesler, Stefan;

Contribution to the simulation of hadron-nucleon inelastic interaction between 1 GeV to 20 GeV by Monte Carlo method

International Nuclear Information System (INIS)

Piquemal, Alain

1982-01-01

This work settles up a simulation model of inelastic hadron-nucleon interaction, using a Monte Carlo method. The creation of excited or stable particles and the decay of excited particles are simulated on the basis of the statistical thermodynamic model of HAGEDORN and of a relativistic kinematical treatment. The quantum identity of stable secondary particles is determined with the help of the statistical model of Fermi. In all cases of interactions the multiplicities and kinematical correlations are correctly reproduced by the simulation. Longitudinal and transversal momentum of secondary particles are also in good agreement with experimental results, in the case of non-diffractive collisions. [fr

Interactions of oxytetracycline with a smectite clay: a spectroscopic study with molecular simulations.

Science.gov (United States)

Aristilde, Ludmilla; Marichal, Claire; Miéhé-Brendlé, Jocelyne; Lanson, Bruno; Charlet, Laurent

2010-10-15

Binding of antibiotics to clay minerals can decrease both their physical and biological availability in soils. To elucidate the binding mechanisms of tetracycline antibiotics on smectite clays as a function of pH, we probed the interactions of oxytetracycline (OTC) with Na-montmorillonite (MONT) using X-ray diffraction (XRD), infrared (IR), and solid-state nuclear magnetic resonance (NMR) spectroscopies, and Monte Carlo molecular simulations. The XRD patterns demonstrate the presence of OTC in the MONT interlayer space at acidic pH whereas complexation of OTC by external basal and edge sites seems to prevail at pH 8. At both pH, the (1)H-(13)C NMR profile indicates restricted mobility of the adsorbed OTC species; and, -CH(3) deformation and C-N stretching IR vibration bands confirm a binding mechanism involving the protonated dimethylamino group of OTC. Changes in the (23)Na NMR environments are consistent with cation-exchange and cation complexation reactions at the different sites of adsorption. Molecular simulations indicate that MONT interlayer spacing and structural charge localization dictate favorable binding conformations of the intercalated OTC, facilitating multiple interactions in agreement with the spectroscopic data. Our results present complementary insights into the mechanisms of adsorption of TETs on smectites important for their retention in natural and engineered soil environments.

Wildfire Emissions and Their Interaction with Urban and Rural Pollution: Data and Simulations

Science.gov (United States)

Singh, H. B.

2014-01-01

In recent years NASA has conducted a series of airborne campaigns (e. g. SEAC4RS*, ARCTAS, INTEX-A/B) over North America using an instrumented DC-8 aircraft equipped to measure a very large number of gaseous and aerosol constituents including several unique tracers. In these campaigns wild fires were extensively sampled near source as well as downwind after aging. The data provided detailed information on the composition and chemistry of fire emissions under a variety of atmospheric conditions as well as their interactions with rural and urban air pollution. Major fires studied including the California Rim fire in 2013 (SEAC4RS), the 2008 California wildfires (ARCTAS), and the Alaskan fires downwind over eastern US (INTEX-A). Although some fire plumes contained virtually no O3 enhancement, others showed significant ozone formation. Over Los Angeles, the highest O3 mixing ratios were observed in fire influenced urban air masses. Attempts to simulate these interactions using state of the art models were only minimally successful and indicated several shortcomings in simulating fire emission influences on urban smog formation. A variety of secondary oxidation products (e. g. O3, PAN, HCHO) were substantially underestimated. We will discuss the data collected in fire influenced air masses and their potential air quality implications.

SimpleGeO - new developments in the interactive creation and debugging of geometries for Monte Carlo simulations

International Nuclear Information System (INIS)

Theis, Christian; Feldbaumer, Eduard; Forkel-Wirth, Doris; Jaegerhofer, Lukas; Roesler, Stefan; Vincke, Helmut; Buchegger, Karl Heinz

2010-01-01

Nowadays radiation transport Monte Carlo simulations have become an indispensable tool in various fields of physics. The applications are diversified and range from physics simulations, like detector studies or shielding design, to medical applications. Usually a significant amount of time is spent on the quite cumbersome and often error prone task of implementing geometries, before the actual physics studies can be performed. SimpleGeo is an interactive solid modeler which allows for the interactive creation and visualization of geometries for various Monte Carlo particle transport codes in 3D. Even though visual validation of the geometry is important, it might not reveal subtle errors like overlapping or undefined regions. These might eventually corrupt the execution of the simulation or even lead to incorrect results, the latter being sometimes hard to identify. In many cases a debugger is provided by the Monte Carlo package, but most often they lack interactive visual feedback, thus making it hard for the user to localize and correct the error. In this paper we describe the latest developments in SimpleGeo, which include debugging facilities that support immediate visual feedback, and apply various algorithms based on deterministic, Monte Carlo or Quasi Monte Carlo methods. These approaches allow for a fast and robust identification of subtle geometry errors that are also marked visually. (author)

Simulation analysis of rectangular dielectric-loaded traveling wave amplifiers for THz sources

Directory of Open Access Journals (Sweden)

Changbiao Wang

2007-12-01

Full Text Available Nonlinear simulation results for a 220-GHz rectangular dielectric-loaded traveling-wave amplifier are presented. Simulations are used to check a linear theory that is developed by phenomenological introduction of an effective dielectric parameter for electron beam channel, and it is found that the rf power gains from Pierce three-wave theory and particle simulations are in reasonable agreement. It is shown that the rf power gain during initial beam-wave interaction is positive; the falling on the initial rf power profile, which has been thought to be the rf power transferred to the beam for bunching buildup (negative gain effect, is probably resulting from numerical errors. Beam-wave interaction mechanism is analyzed by examining the evolution of beam bunching centers. Influences of various parameters on amplifier performance are examined, and transverse space-charge effect is analyzed. A symmetric excitation scheme for rf couplers is proposed, and rf field jumps on the common intersection line of vacuum, dielectric, and metal wall, which were found in rf simulations, are explained theoretically.

The effects of using high-fidelity simulators and standardized patients on the thorax, lung, and cardiac examination skills of undergraduate nursing students.

Science.gov (United States)

Tuzer, Hilal; Dinc, Leyla; Elcin, Melih

2016-10-01

Existing research literature indicates that the use of various simulation techniques in the training of physical examination skills develops students' cognitive and psychomotor abilities in a realistic learning environment while improving patient safety. The study aimed to compare the effects of the use of a high-fidelity simulator and standardized patients on the knowledge and skills of students conducting thorax-lungs and cardiac examinations, and to explore the students' views and learning experiences. A mixed-method explanatory sequential design. The study was conducted in the Simulation Laboratory of a Nursing School, the Training Center at the Faculty of Medicine, and in the inpatient clinics of the Education and Research Hospital. Fifty-two fourth-year nursing students. Students were randomly assigned to Group I and Group II. The students in Group 1 attended the thorax-lungs and cardiac examination training using a high-fidelity simulator, while the students in Group 2 using standardized patients. After the training sessions, all students practiced their skills on real patients in the clinical setting under the supervision of the investigator. Knowledge and performance scores of all students increased following the simulation activities; however, the students that worked with standardized patients achieved significantly higher knowledge scores than those that worked with the high-fidelity simulator; however, there was no significant difference in performance scores between the groups. The mean performance scores of students on real patients were significantly higher compared to the post-simulation assessment scores (psimulator in increasing the knowledge scores of students on thorax-lungs and cardiac examinations; however, practice on real patients increased performance scores of all students without any significant difference in two groups. Copyright © 2016 Elsevier Ltd. All rights reserved.

Volkov basis for simulation of interaction of strong laser pulses and solids

Science.gov (United States)

Kidd, Daniel; Covington, Cody; Li, Yonghui; Varga, Kálmán

2018-01-01

An efficient and accurate basis comprised of Volkov states is implemented and tested for time-dependent simulations of interactions between strong laser pulses and crystalline solids. The Volkov states are eigenstates of the free electron Hamiltonian in an electromagnetic field and analytically represent the rapidly oscillating time-dependence of the orbitals, allowing significantly faster time propagation than conventional approaches. The Volkov approach can be readily implemented in plane-wave codes by multiplying the potential energy matrix elements with a simple time-dependent phase factor.

Global Particle-in-Cell Simulations of Mercury's Magnetosphere

Science.gov (United States)

Schriver, D.; Travnicek, P. M.; Lapenta, G.; Amaya, J.; Gonzalez, D.; Richard, R. L.; Berchem, J.; Hellinger, P.

2017-12-01

Spacecraft observations of Mercury's magnetosphere have shown that kinetic ion and electron particle effects play a major role in the transport, acceleration, and loss of plasma within the magnetospheric system. Kinetic processes include reconnection, the breakdown of particle adiabaticity and wave-particle interactions. Because of the vast range in spatial scales involved in magnetospheric dynamics, from local electron Debye length scales ( meters) to solar wind/planetary magnetic scale lengths (tens to hundreds of planetary radii), fully self-consistent kinetic simulations of a global planetary magnetosphere remain challenging. Most global simulations of Earth's and other planet's magnetosphere are carried out using MHD, enhanced MHD (e.g., Hall MHD), hybrid, or a combination of MHD and particle in cell (PIC) simulations. Here, 3D kinetic self-consistent hybrid (ion particle, electron fluid) and full PIC (ion and electron particle) simulations of the solar wind interaction with Mercury's magnetosphere are carried out. Using the implicit PIC and hybrid simulations, Mercury's relatively small, but highly kinetic magnetosphere will be examined to determine how the self-consistent inclusion of electrons affects magnetic reconnection, particle transport and acceleration of plasma at Mercury. Also the spatial and energy profiles of precipitating magnetospheric ions and electrons onto Mercury's surface, which can strongly affect the regolith in terms of space weathering and particle outflow, will be examined with the PIC and hybrid codes. MESSENGER spacecraft observations are used both to initiate and validate the global kinetic simulations to achieve a deeper understanding of the role kinetic physics play in magnetospheric dynamics.

Microcanonical simulations in classical and quantum field theory

International Nuclear Information System (INIS)

Olson, D.P.

1988-01-01

In the first part of this thesis, a stochastic adaptation of the microcanonical simulation method is applied to the numerical simulation of the Su-Schrieffer-Heeger Hamiltonian for polyacetylene, a one-dimensional polymer were fermion-boson interactions play a dominant role in the dynamics of the system. The pure microcanonical simulation method fails in the marginally ergodic case and a stochastic adaptation, the hybrid microcanonical method, is employed to resolve problems with ergodicity. The hybrid method is shown to be an efficient method for higher dimensional fermionic quantum systems. In the second part of this thesis, a numerical simulation of the evolution of a network of global cosmic strings is an expanding Robertson-Walker universe is carried out. The system is quenched through an order-disorder phase transition and the nature of the string distribution is examined. While the string distribution observed at the phase transition is in good agreement with earlier estimates, the simulation reveals that the dynamics of the strings are suppressed by interactions with the Goldstone field. The network decays by topological annihilation and no spatial correlations are observed at any point in the simulation

A simulation study of gene-by-environment interactions in GWAS implies ample hidden effects

Science.gov (United States)

Marigorta, Urko M.; Gibson, Greg

2014-01-01

The switch to a modern lifestyle in recent decades has coincided with a rapid increase in prevalence of obesity and other diseases. These shifts in prevalence could be explained by the release of genetic susceptibility for disease in the form of gene-by-environment (GxE) interactions. Yet, the detection of interaction effects requires large sample sizes, little replication has been reported, and a few studies have demonstrated environmental effects only after summing the risk of GWAS alleles into genetic risk scores (GRSxE). We performed extensive simulations of a quantitative trait controlled by 2500 causal variants to inspect the feasibility to detect gene-by-environment interactions in the context of GWAS. The simulated individuals were assigned either to an ancestral or a modern setting that alters the phenotype by increasing the effect size by 1.05–2-fold at a varying fraction of perturbed SNPs (from 1 to 20%). We report two main results. First, for a wide range of realistic scenarios, highly significant GRSxE is detected despite the absence of individual genotype GxE evidence at the contributing loci. Second, an increase in phenotypic variance after environmental perturbation reduces the power to discover susceptibility variants by GWAS in mixed cohorts with individuals from both ancestral and modern environments. We conclude that a pervasive presence of gene-by-environment effects can remain hidden even though it contributes to the genetic architecture of complex traits. PMID:25101110

Interactive differential equations modeling program

International Nuclear Information System (INIS)

Rust, B.W.; Mankin, J.B.

1976-01-01

Due to the recent emphasis on mathematical modeling, many ecologists are using mathematics and computers more than ever, and engineers, mathematicians and physical scientists are now included in ecological projects. However, the individual ecologist, with intuitive knowledge of the system, still requires the means to critically examine and adjust system models. An interactive program was developed with the primary goal of allowing an ecologist with minimal experience in either mathematics or computers to develop a system model. It has also been used successfully by systems ecologists, engineers, and mathematicians. This program was written in FORTRAN for the DEC PDP-10, a remote terminal system at Oak Ridge National Laboratory. However, with relatively minor modifications, it can be implemented on any remote terminal system with a FORTRAN IV compiler, or equivalent. This program may be used to simulate any phenomenon which can be described as a system of ordinary differential equations. The program allows the user to interactively change system parameters and/or initial conditions, to interactively select a set of variables to be plotted, and to model discontinuities in the state variables and/or their derivatives. One of the most useful features to the non-computer specialist is the ability to interactively address the system parameters by name and to interactively adjust their values between simulations. These and other features are described in greater detail

Aacsfi-PSC. Advanced accelerator concepts for strong field interaction simulated with the Plasma-Simulation-Code

Energy Technology Data Exchange (ETDEWEB)

Ruhl, Hartmut [Munich Univ. (Germany). Chair for Computational and Plasma Physics

2016-11-01

Since the installation of SuperMUC phase 2 the 9216 nodes of phase 1 are more easily available for large scale runs allowing for the thin foil and AWAKE simulations. Besides phase 2 could be used in parallel for high throughput of the ion acceleration simulations. Challenging to our project were the full-volume checkpoints required by PIC that strained the I/O-subsystem of SuperMUC to its limits. New approaches considered for the next generation system, like burst buffers could overcome this bottleneck. Additionally, as the FDTD solver in PIC is strongly bandwidth bound, PSC will benefit profoundly from high-bandwidth memory (HBM) that most likely will be available in future HPC machines. This will be of great advantage as in 2018 phase II of AWAKE should begin, with a longer plasma channel further increasing the need for additional computing resources. Last but not least, it is expected that our methods used in plasma physics (many body interaction with radiation) will be more and more adapted for medical diagnostics and treatments. For this research field we expect centimeter sized volumes with necessary resolutions of tens of micro meters resulting in boxes of >10{sup 12} voxels (100-200 TB) on a regular basis. In consequence the demand for computing time and especially for data storage and data handling capacities will also increase significantly.

On the origin of the hydration interaction of LIPID bilayers from molecular dynamics simulations

International Nuclear Information System (INIS)

Essmann, U.; Perera, L.; Berkowitz, M.L.

1996-01-01

To understand the nature of the hydration forces acting between biomembranes we performed computer simulations on DLPE/water and DPPC/water systems in liquid crystalline and gel phases. The simulations show that the influence of the membrane surface on water properties is detectable only over a short range and that the membrane surfaces are rough on the molecular scale. We find that the hydration force is due to (a) the removal of only one or two layers of solvating water from the membrane surface and (b) steric interactions. The detailed structure of the solvating water is responsible for the difference in the hydration force acting between DLPE membranes compared to DPPC membranes

Orientationally ordered phase produced by fully antinematic interactions: A simulation study

Science.gov (United States)

Romano, Silvano; de Matteis, Giovanni

2011-07-01

We consider here a classical model, consisting of D2h symmetric particles, whose centers of mass are associated with a three-dimensional simple-cubic lattice; the pair potential is isotropic in orientation space, and restricted to nearest neighbors. Two orthonormal triads define orientations of a pair of interacting particles; the simplest potential models proposed in the literature can be written as a linear combination involving the squares of the scalar products between corresponding unit vectors only, thus depending on three parameters, and making the interaction model rather versatile. A coupling constant with negative sign tends to keep the two interacting unit vectors parallel to each other, whereas a positive sign tends to keep them mutually orthogonal (antinematic coupling). We address here a special, extreme case of the above family, involving only antinematic couplings: more precisely, three antinematic terms whose coefficients are set to a common positive value (hence the name PPP model). The model under investigation produces a doubly degenerate pair ground state; the nearest-neighbor range of the interaction and the bipartite character of the lattice can propagate the pair ground state and increase the overall degeneracy, but without producing frustration. The model was investigated by a simplified molecular field treatment as well as by Monte Carlo simulation, whose results suggested a second-order transition to a low-temperature biaxially ordered phase; ground-state configurations producing orientational order have been selected by thermal fluctuations. The molecular field treatment also predicted a continuous transition, and was found to overestimate the transition temperature by a factor 2.

Electromagnetic particle-in-cell simulations of the solar wind interaction with lunar magnetic anomalies.

Science.gov (United States)

Deca, J; Divin, A; Lapenta, G; Lembège, B; Markidis, S; Horányi, M

2014-04-18

We present the first three-dimensional fully kinetic and electromagnetic simulations of the solar wind interaction with lunar crustal magnetic anomalies (LMAs). Using the implicit particle-in-cell code iPic3D, we confirm that LMAs may indeed be strong enough to stand off the solar wind from directly impacting the lunar surface forming a mini-magnetosphere, as suggested by spacecraft observations and theory. In contrast to earlier magnetohydrodynamics and hybrid simulations, the fully kinetic nature of iPic3D allows us to investigate the space charge effects and in particular the electron dynamics dominating the near-surface lunar plasma environment. We describe for the first time the interaction of a dipole model centered just below the lunar surface under plasma conditions such that only the electron population is magnetized. The fully kinetic treatment identifies electromagnetic modes that alter the magnetic field at scales determined by the electron physics. Driven by strong pressure anisotropies, the mini-magnetosphere is unstable over time, leading to only temporal shielding of the surface underneath. Future human exploration as well as lunar science in general therefore hinges on a better understanding of LMAs.

A multi-solver quasi-Newton method for the partitioned simulation of fluid-structure interaction

International Nuclear Information System (INIS)

Degroote, J; Annerel, S; Vierendeels, J

2010-01-01

In partitioned fluid-structure interaction simulations, the flow equations and the structural equations are solved separately. Consequently, the stresses and displacements on both sides of the fluid-structure interface are not automatically in equilibrium. Coupling techniques like Aitken relaxation and the Interface Block Quasi-Newton method with approximate Jacobians from Least-Squares models (IBQN-LS) enforce this equilibrium, even with black-box solvers. However, all existing coupling techniques use only one flow solver and one structural solver. To benefit from the large number of multi-core processors in modern clusters, a new Multi-Solver Interface Block Quasi-Newton (MS-IBQN-LS) algorithm has been developed. This algorithm uses more than one flow solver and structural solver, each running in parallel on a number of cores. One-dimensional and three-dimensional numerical experiments demonstrate that the run time of a simulation decreases as the number of solvers increases, albeit at a slower pace. Hence, the presented multi-solver algorithm accelerates fluid-structure interaction calculations by increasing the number of solvers, especially when the run time does not decrease further if more cores are used per solver.

Hybrid Discrete Element - Finite Element Simulation for Railway Bridge-Track Interaction

Science.gov (United States)

Kaewunruen, S.; Mirza, O.

2017-10-01

At the transition zone or sometimes called ‘bridge end’ or ‘bridge approach’, the stiffness difference between plain track and track over bridge often causes aggravated impact loading due to uneven train movement onto the area. The differential track settlement over the transition has been a classical problem in railway networks, especially for the aging rail infrastructures around the world. This problem is also additionally worsened by the fact that the construction practice over the area is difficult, resulting in a poor compaction of formation and subgrade. This paper presents an advanced hybrid simulation using coupled discrete elements and finite elements to investigate dynamic interaction at the transition zone. The goal is to evaluate the dynamic stresses and to better understand the impact dynamics redistribution at the bridge end. An existing bridge ‘Salt Pan Creek Railway Bridge’, located between Revesby and Kingsgrove, has been chosen for detailed investigation. The Salt Pan Bridge currently demonstrates crushing of the ballast causing significant deformation and damage. Thus, it’s imperative to assess the behaviours of the ballast under dynamic loads. This can be achieved by modelling the nonlinear interactions between the steel rail and sleeper, and sleeper to ballast. The continuum solid elements of track components have been modelled using finite element approach, while the granular media (i.e. ballast) have been simulated by discrete element method. The hybrid DE/FE model demonstrates that ballast experiences significant stresses at the contacts between the sleeper and concrete section. These overburden stress exists in the regions below the outer rails, identify fouling and permanent deformation of the ballast.

Influence of Concrete Properties on Molten Core-Concrete Interaction: A Simulation Study

Directory of Open Access Journals (Sweden)

Jin-yang Jiang

2016-01-01

Full Text Available In a severe nuclear power plant accident, the molten core can be released into the reactor pit and interact with sacrificial concrete. In this paper, a simulation study is presented that aims to address the influence of sacrificial concrete properties on molten core-concrete interaction (MCCI. In particular, based on the MELCOR Code, the ferrosiliceous concrete used in European Pressurized Water Reactor (EPR is taken into account with respect to the different ablation enthalpy and Fe2O3 and H2O contents. Results indicate that the concrete ablation rate as well as the hydrogen generation rate depends much on the concrete ablation enthalpy and Fe2O3 and H2O contents. In practice, the ablation enthalpy of sacrificial concrete is the higher the better, while the Fe2O3 and H2O content of sacrificial concrete is the lower the better.

The use of the virtual reality Helmet Samsung gear VR as interaction interface of a radioactive waste repository simulator

Energy Technology Data Exchange (ETDEWEB)

Santos, Julio A. dos; Mól, Antônio C. de A.; Santo, André C. Do E., E-mail: julio_andrade11@hotmail.com [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Centro Universitário Carioca (UniCarioca), Rio de Janeiro, RJ (Brazil)

2017-07-01

Radioactive waste is all material resulting from human activity that contains elements that emit radiation that can generate risks to health and the environment. In this sense, they are very toxic also for those who perform the storage of radioactive waste in nuclear facilities. On the other hand, the virtual reality (VR) has been destined to the most diverse purposes, like simulations for educational systems, for military purposes as for diverse training. VR can be considered as the junction of three basic principles: immersion, interaction and involvement. Bases on these principles of VR, this work aimed to develop a simulator of a repository of nuclear tailings, for mobile computing, whose interaction interface will be through the Samsung Gear VR helmet. The simulator of the nuclear waste repository was developed in the unity 3D tool and the elements that make up the scenario in the 3D MAX program. In this work we tried to put virtual reality under scrutiny in conjunction with Gear VR, to help in the sensation of immersion, as well as, the possibility of interaction with joysticks. The purpose was to provide greater insight into the operating environment. (author)

The use of the virtual reality Helmet Samsung gear VR as interaction interface of a radioactive waste repository simulator

International Nuclear Information System (INIS)

Santos, Julio A. dos; Mól, Antônio C. de A.; Santo, André C. Do E.

2017-01-01

Radioactive waste is all material resulting from human activity that contains elements that emit radiation that can generate risks to health and the environment. In this sense, they are very toxic also for those who perform the storage of radioactive waste in nuclear facilities. On the other hand, the virtual reality (VR) has been destined to the most diverse purposes, like simulations for educational systems, for military purposes as for diverse training. VR can be considered as the junction of three basic principles: immersion, interaction and involvement. Bases on these principles of VR, this work aimed to develop a simulator of a repository of nuclear tailings, for mobile computing, whose interaction interface will be through the Samsung Gear VR helmet. The simulator of the nuclear waste repository was developed in the unity 3D tool and the elements that make up the scenario in the 3D MAX program. In this work we tried to put virtual reality under scrutiny in conjunction with Gear VR, to help in the sensation of immersion, as well as, the possibility of interaction with joysticks. The purpose was to provide greater insight into the operating environment. (author)

Compression of Jupiter's magnetosphere by the solar wind: Reexamination via MHD simulation of evolving corotating interaction regions

International Nuclear Information System (INIS)

Smith, Z.K.; Dryer, M.; Fillius, R.W.; Smith, E.J.; Wolfe, J.H.

1981-01-01

We examine the major changes in the solar wind before, during, and after the Pioneer 10 and 11 encounters with the Jovian magnetosphere during 1973 and 1974, respectively. In an earlier study, Smith et al. (1978) concluded that the Jovian magnetosphere was subjected to large-scale compression during at least three or four intervals during which it appeared that the spacecraft had reentered the solar wind or magnetosheath near 50 R/sub J/ after having first entered the magnetosphere near 100 R/sub J/. They based this suggestion on the observations of the sister spacecraft, which indicated--on the basis of a kinematic translation of corotating interaction regions (CIR's)--that these structures would be expected to arrive at Jupiter at the appropriate beginning of these three intervals. Our reexamination of this suggestion involved the numerical simulation of the multiple CIR evolutions from one spacecraft to the sister spacecraft. This approach, considered to be a major improvement, confirms the suggestion by Smith et al. (1978) that Jupiter's magnetosphere was compressed by interplanetary CIR's during three or four of these events. Our MHD simulation also suggests that Jupiter's magnetosphere reacts to solar wind rarefactions in the opposite way--by expanding. A previously unexplained pair of magnetopause crossings on the Pioneer 11 outbound pass may simply be due to a delayed reexpansion of Jupiter's magnetosphere from a compression that occurred during the inbound pass

Female rock sparrows (Petronia petronia), not males, respond differently to simulations of different courtship interaction outcomes

DEFF Research Database (Denmark)

Matessi, Giuliano; Peake, Tom M.; McGregor, Peter K.

2007-01-01

individuals of both sexes have access to a range of mating strategies. We tested whether rock sparrows (Petronia petronia) behave differently after hearing playbacks of vocal interactions simulating a successful courtship as opposed to playback of an unsuccessful courtship. We found no support for our...

Novel 3D/VR interactive environment for MD simulations, visualization and analysis.

Science.gov (United States)

Doblack, Benjamin N; Allis, Tim; Dávila, Lilian P

2014-12-18

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model materials, this enhancement allows the addition of accelerated MD simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal is to investigate the structure and properties of inorganic nanostructures (e.g., silica glass nanosprings) under different conditions using this innovative computational system. The work presented outlines a description of the 3D/VR Visualization System and basic components, an overview of important considerations such as the physical environment, details on the setup and use of the novel system, a general procedure for the accelerated MD enhancement, technical information, and relevant remarks. The impact of this work is the creation of a unique computational system combining nanoscale materials simulation, visualization and interactivity in a virtual environment, which is both a research and teaching instrument at UC Merced.

Gasdynamics and star formation in interacting and merging galaxies

International Nuclear Information System (INIS)

Olson, K.M.; Kwan, J.

1990-01-01

The effects of various parameters on the interaction of two galaxies and on the gas cloud collisions which are induced to occur are considered by examining several simulations of an interaction with different impact parameters, similar to the simulations described by Olson and Kwan (1990). The results of the present calculations are consistent with those obtained earlier by Olson and Kwan. They show that the interaction of two galaxies can lead to an increase in the rate at which gas clouds collide, and that these collisions are of sufficient kinetic energy to disrupt the clouds and prevent the buildup of a large number of massive clouds. It was found that, as the inclination of the interaction is increased, the perturbation of the cloud system is decreased. It was also found that unbound orbits produce a smaller perturbation than bound orbits, and that decreasing the mass of the perturbing galaxy decreases the perturbation. 21 refs

Direct numerical simulation of turbulent reacting flows

Energy Technology Data Exchange (ETDEWEB)

Chen, J.H. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01

The development of turbulent combustion models that reflect some of the most important characteristics of turbulent reacting flows requires knowledge about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between the turbulence and the chemistry is so strong in certain regimes that is is very difficult to isolate the role played by one individual phenomenon. Direct numerical simulation (DNS) is an extremely useful tool to study in detail the turbulence-chemistry interactions in certain well defined regimes. Globally, non-premixed flames are controlled by two limiting cases: the fast chemistry limit, where the turbulent fluctuations. In between these two limits, finite-rate chemical effects are important and the turbulence interacts strongly with the chemical processes. This regime is important because industrial burners operate in regimes in which, locally the flame undergoes extinction, or is at least in some nonequilibrium condition. Furthermore, these nonequilibrium conditions strongly influence the production of pollutants. To quantify the finite-rate chemistry effect, direct numerical simulations are performed to study the interaction between an initially laminar non-premixed flame and a three-dimensional field of homogeneous isotropic decaying turbulence. Emphasis is placed on the dynamics of extinction and on transient effects on the fine scale mixing process. Differential molecular diffusion among species is also examined with this approach, both for nonreacting and reacting situations. To address the problem of large-scale mixing and to examine the effects of mean shear, efforts are underway to perform large eddy simulations of round three-dimensional jets.

Simulation of Past Life: Controlling Agent Behaviors from the Interactions between Ethnic Groups

OpenAIRE

Lim , Chen-Kim; Cani , Marie-Paule; Galvane , Quentin; Pettré , Julien; Abdullah Zawawi , Talib

2013-01-01

International audience; Many efforts have been carried out in preserving the history and culture of Penang and also other regions of Malaysia since George Town was elected as a UNESCO living heritage city. This paper presents a method to simulate life in a local trading port in the 1800s, where various populations with very different social rules interacted with each other. These populations included Indian coolies, Malay vendors, British colonists and Chinese traders. The challenge is to mod...

Assessing the impact of aerosol-atmosphere interactions in convection-permitting regional climate simulations: the Rolf medicane in 2011

Science.gov (United States)

José Gómez-Navarro, Juan; María López-Romero, José; Palacios-Peña, Laura; Montávez, Juan Pedro; Jiménez-Guerrero, Pedro

2017-04-01

A critical challenge for assessing regional climate change projections relies on improving the estimate of atmospheric aerosol impact on clouds and reducing the uncertainty associated with the use of parameterizations. In this sense, the horizontal grid spacing implemented in state-of-the-art regional climate simulations is typically 10-25 kilometers, meaning that very important processes such as convective precipitation are smaller than a grid box, and therefore need to be parameterized. This causes large uncertainties, as closure assumptions and a number of parameters have to be established by model tuning. Convection is a physical process that may be strongly conditioned by atmospheric aerosols, although the solution of aerosol-cloud interactions in warm convective clouds remains nowadays a very important scientific challenge, rendering parametrization of these complex processes an important bottleneck that is responsible from a great part of the uncertainty in current climate change projections. Therefore, the explicit simulation of convective processes might improve the quality and reliability of the simulations of the aerosol-cloud interactions in a wide range of atmospheric phenomena. Particularly over the Mediterranean, the role of aerosol particles is very important, being this a crossroad that fuels the mixing of particles from different sources (sea-salt, biomass burning, anthropogenic, Saharan dust, etc). Still, the role of aerosols in extreme events in this area such as medicanes has been barely addressed. This work aims at assessing the role of aerosol-atmosphere interaction in medicanes with the help of the regional chemistry/climate on-line coupled model WRF-CHEM run at a convection-permitting resolution. The analysis is exemplary based on the "Rolf" medicane (6-8 November 2011). Using this case study as reference, four sets of simulations are run with two spatial resolutions: one at a convection-permitting configuration of 4 km, and other at the

Simulation Of Relativistic Hadronic Interactions In The Framework Of The Rts&t-2004 Code