WorldWideScience

Sample records for model simulating transition

  1. Simulation Model of Bus Rapid Transit

    Directory of Open Access Journals (Sweden)

    Gunawan Fergyanto E.

    2014-03-01

    Full Text Available Bus rapid transit system is modern solution for mass transportation system. The system, in comparison to the rail-based transportation system, is significantly cheaper and requires shorter development time, but lower performance. The BRT system performance strongly depends on variables related to station design and infrastructure. A numerical model offers an effective and efficient means to evaluate the system performance. This article offers a detailed numerical model on the basis of the discrete-event approach and demonstrates its application.

  2. Towards automated model calibration and validation in rail transit simulation

    NARCIS (Netherlands)

    Huang, Y.; Seck, M.D.; Verbraeck, A.

    2012-01-01

    The benefit of modeling and simulation in rail transit operations has been demonstrated in various studies. However, the complex dynamics involved and the ever-changing environment in which rail systems evolve expose the limits of classical simulation. Changing environmental conditions and second or

  3. Stochastic Simulator for modeling the transition to lasing

    CERN Document Server

    Puccioni, G P

    2014-01-01

    A Stochastic Simulator (SS) is proposed, based on a semiclassical description of the radiation-matter interaction, to obtain an efficient description of the lasing transition for devices ranging from the nanolaser to the traditional "macroscopic" laser. Steady-state predictions obtained with the SS agree both with more traditional laser modeling and with the description of phase transitions in small-sized systems, and provide additional information on fluctuations. Dynamical information can easily be obtained, with good computing time efficiency, which convincingly highlights the role of fluctuations at threshold.

  4. Large-scale Monte Carlo simulations for the depinning transition in Ising-type lattice models

    Science.gov (United States)

    Si, Lisha; Liao, Xiaoyun; Zhou, Nengji

    2016-12-01

    With the developed "extended Monte Carlo" (EMC) algorithm, we have studied the depinning transition in Ising-type lattice models by extensive numerical simulations, taking the random-field Ising model with a driving field and the driven bond-diluted Ising model as examples. In comparison with the usual Monte Carlo method, the EMC algorithm exhibits greater efficiency of the simulations. Based on the short-time dynamic scaling form, both the transition field and critical exponents of the depinning transition are determined accurately via the large-scale simulations with the lattice size up to L = 8912, significantly refining the results in earlier literature. In the strong-disorder regime, a new universality class of the Ising-type lattice model is unveiled with the exponents β = 0.304(5) , ν = 1.32(3) , z = 1.12(1) , and ζ = 0.90(1) , quite different from that of the quenched Edwards-Wilkinson equation.

  5. Markov-chain model of classified atomistic transition states for discrete kinetic Monte Carlo simulations.

    Science.gov (United States)

    Numazawa, Satoshi; Smith, Roger

    2011-10-01

    Classical harmonic transition state theory is considered and applied in discrete lattice cells with hierarchical transition levels. The scheme is then used to determine transitions that can be applied in a lattice-based kinetic Monte Carlo (KMC) atomistic simulation model. The model results in an effective reduction of KMC simulation steps by utilizing a classification scheme of transition levels for thermally activated atomistic diffusion processes. Thermally activated atomistic movements are considered as local transition events constrained in potential energy wells over certain local time periods. These processes are represented by Markov chains of multidimensional Boolean valued functions in three-dimensional lattice space. The events inhibited by the barriers under a certain level are regarded as thermal fluctuations of the canonical ensemble and accepted freely. Consequently, the fluctuating system evolution process is implemented as a Markov chain of equivalence class objects. It is shown that the process can be characterized by the acceptance of metastable local transitions. The method is applied to a problem of Au and Ag cluster growth on a rippled surface. The simulation predicts the existence of a morphology-dependent transition time limit from a local metastable to stable state for subsequent cluster growth by accretion. Excellent agreement with observed experimental results is obtained.

  6. Turbulence Modeling for the Simulation of Transition in Wall Shear Flows

    Science.gov (United States)

    Crawford, Michael E.

    2007-01-01

    Our research involves study of the behavior of k-epsilon turbulence models for simulation of bypass-level transition over flat surfaces and turbine blades. One facet of the research has been to assess the performance of a multitude of k-epsilon models in what we call "natural transition", i.e. no modifications to the k-e models. The study has been to ascertain what features in the dynamics of the model affect the start and end of the transition. Some of the findings are in keeping with those reported by others (e.g. ERCOFTAC). A second facet of the research has been to develop and benchmark a new multi-time scale k-epsilon model (MTS) for use in simulating bypass-level transition. This model has certain features of the published MTS models by Hanjalic, Launder, and Schiestel, and by Kim and his coworkers. The major new feature of our MTS model is that it can be used to compute wall shear flows as a low-turbulence Reynolds number type of model, i.e. there is no required partition with patching a one-equation k model in the near-wall region to a two-equation k-epsilon model in the outer part of the flow. Our MTS model has been studied extensively to understand its dynamics in predicting the onset of transition and the end-stage of the transition. Results to date indicate that it far superior to the standard unmodified k-epsilon models. The effects of protracted pressure gradients on the model behavior are currently being investigated.

  7. An efficient model to simulate stable glow corona discharges and their transition into streamers

    Science.gov (United States)

    Liu, Lipeng; Becerra, Marley

    2017-03-01

    A computationally efficient model to evaluate stable glow corona discharges and their transition into streamers is proposed. The simplified physical model referred to as the SPM is based on the classic hydrodynamic model of charge particles and a quasi-steady state approximation for electrons. The solution follows a two-step segregated procedure, which solves sequentially the stationary continuity equation for electrons and then time-dependent continuity equations for ions. The validity of using the SPM to simulate glow corona discharges and their transition into streamers is demonstrated by performing comparisons with a fully coupled physical model (FPM) and with experimental data available in the literature for air under atmospheric conditions. It is shown that the SPM can obtain estimates similar to those calculated with the FPM and those measured in experiments but using significantly less computation time. Since the proposed model simulates efficiently the ionization layer without prior knowledge of the surface electric field or the discharge current, it is a computationally efficient alternative to calculations of glow corona discharges based on Kaptzov’s approximation (KAM). The model can also be employed to efficiently calculate the conditions for the transition of glow corona into streamers, overcoming the limitations of KAM to provide such estimates.

  8. Modeling and Simulating Passenger Behavior for a Station Closure in a Rail Transit Network.

    Science.gov (United States)

    Yin, Haodong; Han, Baoming; Li, Dewei; Wu, Jianjun; Sun, Huijun

    2016-01-01

    A station closure is an abnormal operational situation in which the entrances or exits of a rail transit station have to be closed for some time due to an unexpected incident. A novel approach is developed to estimate the impacts of the alternative station closure scenarios on both passenger behavioral choices at the individual level and passenger demand at the disaggregate level in a rail transit network. Therefore, the contributions of this study are two-fold: (1) A basic passenger behavior optimization model is mathematically constructed based on 0-1 integer programming to describe passengers' responses to alternative origin station closure scenarios and destination station closure scenarios; this model also considers the availability of multi-mode transportation and the uncertain duration of the station closure; (2) An integrated solution algorithm based on the passenger simulation is developed to solve the proposed model and to estimate the effects of a station closure on passenger demand in a rail transit network. Furthermore, 13 groups of numerical experiments based on the Beijing rail transit network are performed as case studies with 2,074,267 records of smart card data. The comparisons of the model outputs and the manual survey show that the accuracy of our proposed behavior optimization model is approximately 80%. The results also show that our model can be used to capture the passenger behavior and to quantitatively estimate the effects of alternative closure scenarios on passenger flow demand for the rail transit network. Moreover, the closure duration and its overestimation greatly influence the individual behavioral choices of the affected passengers and the passenger demand. Furthermore, if the rail transit operator can more accurately estimate the closure duration (namely, as g approaches 1), the impact of the closure can be somewhat mitigated.

  9. Dwell Time Modelling and Optimized Simulations for Crowded Rail Transit Lines Based on Train Capacity

    Directory of Open Access Journals (Sweden)

    Zhibin Jiang

    2015-04-01

    Full Text Available Understanding the nature of rail transit dwell time has potential benefits for both the users and the operators. Crowded passenger trains cause longer dwell times and may prevent some passengers from boarding the first available train that arrives. Actual dwell time and the process of passenger alighting and boarding are interdependent through the sequence of train stops and propagated delays. A comprehensive and feasible dwell time simulation model was developed and optimized to address the problems associated with scheduled timetables. The paper introduces the factors that affect dwell time in urban rail transit systems, including train headway, the process and number of passengers alighting and boarding the train, and the inability of train doors to properly close the first time because of overcrowded vehicles. Finally, based on a time-driven micro-simulation system, Shanghai rail transit Line 8 is used as an example to quantify the feasibility of scheduled dwell times for different stations, directions of travel and time periods, and a proposed dwell time during peak hours in several crowded stations is presented according to the simulation results.

  10. Monte Carlo simulations of phase transitions and lattice dynamics in an atom-phonon model for spin transition compounds

    Energy Technology Data Exchange (ETDEWEB)

    Apetrei, Alin Marian, E-mail: alin.apetrei@uaic.r [Department of Physics, Alexandru Ioan Cuza University of Iasi, 11 Blvd. Carol I, Iasi 700506 (Romania); Enachescu, Cristian; Tanasa, Radu; Stoleriu, Laurentiu; Stancu, Alexandru [Department of Physics, Alexandru Ioan Cuza University of Iasi, 11 Blvd. Carol I, Iasi 700506 (Romania)

    2010-09-01

    We apply here the Monte Carlo Metropolis method to a known atom-phonon coupling model for 1D spin transition compounds (STC). These inorganic molecular systems can switch under thermal or optical excitation, between two states in thermodynamical competition, i.e. high spin (HS) and low spin (LS). In the model, the ST units (molecules) are linked by springs, whose elastic constants depend on the spin states of the neighboring atoms, and can only have three possible values. Several previous analytical papers considered a unique average value for the elastic constants (mean-field approximation) and obtained phase diagrams and thermal hysteresis loops. Recently, Monte Carlo simulation papers, taking into account all three values of the elastic constants, obtained thermal hysteresis loops, but no phase diagrams. Employing Monte Carlo simulation, in this work we obtain the phase diagram at T=0 K, which is fully consistent with earlier analytical work; however it is more complex. The main difference is the existence of two supplementary critical curves that mark a hysteresis zone in the phase diagram. This explains the pressure hysteresis curves at low temperature observed experimentally and predicts a 'chemical' hysteresis in STC at very low temperatures. The formation and the dynamics of the domains are also discussed.

  11. Simulation of Instability at Transition Energy with a New Impedance Model for CERN PS

    CERN Document Server

    Wang, Na; Biancacci, Nicolo; Migliorati, Mauro; Persichelli, Serena; Sterbini, Guido

    2016-01-01

    Instabilities driven by the transverse impedance are proven to be one of the limitations for the high intensity reach of the CERN PS. Since several years, fast single bunch vertical instability at transition energy has been observed with the high intensity bunch serving the neu-tron Time-of-Flight facility (n-ToF). In order to better understand the instability mechanism, a dedicated meas-urement campaign took place. The results were compared with macro-particle simulations with PyHEADTAIL based on the new impedance model developed for the PS. Instability threshold and growth rate for different longitu-dinal emittances and beam intensities were studied.

  12. Modelling and numerical simulation of liquid-vapor phase transitions; Modelisation et simulation numerique des transitions de phase liquide-vapeur

    Energy Technology Data Exchange (ETDEWEB)

    Caro, F

    2004-11-15

    This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

  13. Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

    Directory of Open Access Journals (Sweden)

    Jennifer K. Costanza

    2015-03-01

    Full Text Available We linked state-and-transition simulation models (STSMs with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

  14. Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

    Science.gov (United States)

    Costanza, Jennifer; Abt, Robert C.; McKerrow, Alexa; Collazo, Jaime

    2015-01-01

    We linked state-and-transition simulation models (STSMs) with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS) was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

  15. A Turbine Based Combined Cycle Engine Inlet Model and Mode Transition Simulation Based on HiTECC Tool

    Science.gov (United States)

    Csank, Jeffrey T.; Stueber, Thomas J.

    2012-01-01

    An inlet system is being tested to evaluate methodologies for a turbine based combined cycle propulsion system to perform a controlled inlet mode transition. Prior to wind tunnel based hardware testing of controlled mode transitions, simulation models are used to test, debug, and validate potential control algorithms. One candidate simulation package for this purpose is the High Mach Transient Engine Cycle Code (HiTECC). The HiTECC simulation package models the inlet system, propulsion systems, thermal energy, geometry, nozzle, and fuel systems. This paper discusses the modification and redesign of the simulation package and control system to represent the NASA large-scale inlet model for Combined Cycle Engine mode transition studies, mounted in NASA Glenn s 10- by 10-Foot Supersonic Wind Tunnel. This model will be used for designing and testing candidate control algorithms before implementation.

  16. Modeling and Simulation of the MIDREX Shaft Furnace: Reduction, Transition and Cooling Zones

    Science.gov (United States)

    Shams, Alireza; Moazeni, Faegheh

    2015-11-01

    Metallic iron used in steel industries is mostly obtained from a direct reduction process. The focus of this study is to simulate the furnace of the MIDREX technology. MIDREX technology which is the most important gas-based direct reduced iron (DRI) process in the world, includes reduction, transition and cooling zones. The reduction zone considered as a counter current gas-solid reactor produces sponge iron from iron ore pellets. The transition zone has sufficient height to isolate the reduction zone and cooling zone from each other and the cooling zone cools the solid product down to around 50°C. Each zone has a system of reactions. Simultaneous mass and energy balances along the reduction zone lead to a set of ordinary differential equations with two points of boundary conditions. The transitions and cooling zone are investigated at the equilibrium condition leading to a set of algebraic equations. By solving these systems of equations, we determined the materials concentration, temperature, and pressure along the furnace. Our results are in a good agreement with data reported by Parisi and Laborde (2004) for a real MIDREX plant. Using this model, the effect of reactor length and cooling gas flow on the metallization and the effect of cooling gas flow on the outlet temperature of the solid phase have been studied. These new findings can be used to minimize the consumed energy.

  17. Simulating Energy Transitions

    NARCIS (Netherlands)

    Chappin, E.J.L.

    2011-01-01

    Have you ever wanted to know whether a CO2 tax outperforms the EU emissions trading scheme? Or how long it really takes markets to change and to let consumers choose differently? In this book, Emile Chappin explores simulation models to provide us with answers before policy interventions are impleme

  18. Simulating Energy Transitions

    NARCIS (Netherlands)

    Chappin, E.J.L.

    2011-01-01

    Have you ever wanted to know whether a CO2 tax outperforms the EU emissions trading scheme? Or how long it really takes markets to change and to let consumers choose differently? In this book, Emile Chappin explores simulation models to provide us with answers before policy interventions are

  19. Molecular dynamics simulation of phase and structural transitions in model lung surfactant mixtures

    Science.gov (United States)

    Duncan, Susan L.

    Lung surfactant (LS) is a complex mixture of lipids and proteins that reduces and regulates the surface tension in the lungs, thereby decreasing the work of breathing. A thorough understanding of LS function is critical to the development and optimization of synthetic surfactants for the treatment of neonatal and adult respiratory distress syndrome. We have utilized coarse-grained (CG) molecular dynamics simulation to study the dynamic, hysteretic changes occurring in the structure and phase of model surfactant mixtures with varying temperature, pressure and composition. In particular, we have studied the effects of the LS components palmitoyloleoylphosphatidylglycerol (POPG), palmitoyloleoylphosphatidylcholine (POPC), palmitic acid (PA), cholesterol, and two surface-active proteins SP-B 1--25 (the 25-residue N-terminal fragment of SP-B), and SP-C on model surfactant monolayers containing the primary lipid component dipalmitoylphosphatidylcholine (DPPC). The results indicate that POPG, POPC, SP-B1--25 and SP-C act as fluidizers and PA and cholesterol act as condensing agents, which change the phase-transition temperature, LC-LE phase distribution, and the extent of hysteresis. To explore the role of LS proteins SP-B and SP-C in storing and redelivering lipid from lipid monolayers during the compression and re-expansion occurring in lungs during breathing, we have simulated 2D-to-3D transitions at the interface. These simulations show that at near-zero surface tension the presence of a fluidizing agent, such as POPG, SP-C, or SP-B 1--25 decreases the monolayers resistance to bending allowing the monolayers to form large undulations and ultimately folds. Another folding mechanism is also observed in monolayers containing peptides, involving the lipid-mediated aggregation of the peptides into a defect, from which the fold can nucleate. The occurrence of folding depends on the hydrophobic character of the peptides; if the number of hydrophobic residues is decreased

  20. Capturing flood-to-drought transitions in regional climate model simulations

    Science.gov (United States)

    Anders, Ivonne; Haslinger, Klaus; Hofstätter, Michael; Salzmann, Manuela; Resch, Gernot

    2017-04-01

    In previous studies atmospheric cyclones have been investigated in terms of related precipitation extremes in Central Europe. Mediterranean (Vb-like) cyclones are of special relevance as they are frequently related to high atmospheric moisture fluxes leading to floods and landslides in the Alpine region. Another focus in this area is on droughts, affecting soil moisture and surface and sub-surface runoff as well. Such events develop differently depending on available pre-saturation of water in the soil. In a first step we investigated two time periods which encompass a flood event and a subsequent drought on very different time scales, one long lasting transition (2002/2003) and a rather short one between May and August 2013. In a second step we extended the investigation to the long time period 1950-2016. We focused on high spatial and temporal scales and assessed the currently achievable accuracy in the simulation of the Vb-events on one hand and following drought events on the other hand. The state-of-the-art regional climate model CCLM is applied in hindcast-mode simulating the single events described above, but also the time from 1948 to 2016 to evaluate the results from the short runs to be valid for the long time period. Besides the conventional forcing of the regional climate model at its lateral boundaries, a spectral nudging technique is applied. The simulations covering the European domain have been varied systematically different model parameters. The resulting precipitation amounts have been compared to E-OBS gridded European precipitation data set and a recent high spatially resolved precipitation data set for Austria (GPARD-6). For the drought events the Standardized Precipitation Evapotranspiration Index (SPEI), soil moisture and runoff has been investigated. Varying the spectral nudging setup helps us to understand the 3D-processes during these events, but also to identify model deficiencies. To improve the simulation of such events in the past

  1. A state-and-transition simulation modeling approach for estimating the historical range of variability

    Directory of Open Access Journals (Sweden)

    Kori Blankenship

    2015-04-01

    Full Text Available Reference ecological conditions offer important context for land managers as they assess the condition of their landscapes and provide benchmarks for desired future conditions. State-and-transition simulation models (STSMs are commonly used to estimate reference conditions that can be used to evaluate current ecosystem conditions and to guide land management decisions and activities. The LANDFIRE program created more than 1,000 STSMs and used them to assess departure from a mean reference value for ecosystems in the United States. While the mean provides a useful benchmark, land managers and researchers are often interested in the range of variability around the mean. This range, frequently referred to as the historical range of variability (HRV, offers model users improved understanding of ecosystem function, more information with which to evaluate ecosystem change and potentially greater flexibility in management options. We developed a method for using LANDFIRE STSMs to estimate the HRV around the mean reference condition for each model state in ecosystems by varying the fire probabilities. The approach is flexible and can be adapted for use in a variety of ecosystems. HRV analysis can be combined with other information to help guide complex land management decisions.

  2. Downscaling global land-use/land-cover projections for use in region-level state-and-transition simulation modeling

    Directory of Open Access Journals (Sweden)

    Jason T. Sherba

    2015-06-01

    Full Text Available Global land-use/land-cover (LULC change projections and historical datasets are typically available at coarse grid resolutions and are often incompatible with modeling applications at local to regional scales. The difficulty of downscaling and reapportioning global gridded LULC change projections to regional boundaries is a barrier to the use of these datasets in a state-and-transition simulation model (STSM framework. Here we compare three downscaling techniques to transform gridded LULC transitions into spatial scales and thematic LULC classes appropriate for use in a regional STSM. For each downscaling approach, Intergovernmental Panel on Climate Change (IPCC Representative Concentration Pathway (RCP LULC projections, at the 0.5 × 0.5 cell resolution, were downscaled to seven Level III ecoregions in the Pacific Northwest, United States. RCP transition values at each cell were downscaled based on the proportional distribution between ecoregions of (1 cell area, (2 land-cover composition derived from remotely-sensed imagery, and (3 historic LULC transition values from a LULC history database. Resulting downscaled LULC transition values were aggregated according to their bounding ecoregion and “cross-walked” to relevant LULC classes. Ecoregion-level LULC transition values were applied in a STSM projecting LULC change between 2005 and 2100. While each downscaling methods had advantages and disadvantages, downscaling using the historical land-use history dataset consistently apportioned RCP LULC transitions in agreement with historical observations. Regardless of the downscaling method, some LULC projections remain improbable and require further investigation.

  3. Simulations Of Field Theories In World Line Representation (higgs Model, Phase Transition)

    CERN Document Server

    Pap, A L

    1998-01-01

    We have studied phase transition of systems of random paths numerically. Random paths have generated considerable interest for three reasons. First: Random paths play a central role in the investigation of polymers and proteins. Second: They also serve as a model for the more complicated surfaces and higher dimensional manifolds which are necessary ingredients of string theories and quantum gravity...

  4. Agent-based model of intermittent renewables: Simulating emerging changes in energy markets in transition

    NARCIS (Netherlands)

    Chappin, E.J.L.; Viebahn, P.; Richstein, J.C.; Lechtenböhmer, S.; Nebel, A.

    2012-01-01

    The energy transition is taking shape in the German and, to a lesser extent also its neighbouring electricity markets. We have proposed adaptations to an existing model to represent the increasing shares of intermittent renewables, that may alter the structure of the market and the viability of stra

  5. Agent-based model of intermittent renewables: Simulating emerging changes in energy markets in transition

    NARCIS (Netherlands)

    Chappin, E.J.L.; Viebahn, P.; Richstein, J.C.; Lechtenböhmer, S.; Nebel, A.

    2012-01-01

    The energy transition is taking shape in the German and, to a lesser extent also its neighbouring electricity markets. We have proposed adaptations to an existing model to represent the increasing shares of intermittent renewables, that may alter the structure of the market and the viability of

  6. Fully-Coupled Thermo-Electrical Modeling and Simulation of Transition Metal Oxide Memristors

    Energy Technology Data Exchange (ETDEWEB)

    Mamaluy, Denis [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gao, Xujiao [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Tierney, Brian David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Marinella, Matthew [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mickel, Patrick [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Tierney, Brian D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-11-01

    Transition metal oxide (TMO) memristors have recently attracted special attention from the semiconductor industry and academia. Memristors are one of the strongest candidates to replace flash memory, and possibly DRAM and SRAM in the near future. Moreover, memristors have a high potential to enable beyond-CMOS technology advances in novel architectures for high performance computing (HPC). The utility of memristors has been demonstrated in reprogrammable logic (cross-bar switches), brain-inspired computing and in non-CMOS complementary logic. Indeed, the potential use of memristors as logic devices is especially important considering the inevitable end of CMOS technology scaling that is anticipated by 2025. In order to aid the on-going Sandia memristor fabrication effort with a memristor design tool and establish a clear physical picture of resistance switching in TMO memristors, we have created and validated with experimental data a simulation tool we name the Memristor Charge Transport (MCT) Simulator.

  7. Methods used to parameterize the spatially-explicit components of a state-and-transition simulation model

    Directory of Open Access Journals (Sweden)

    Rachel R. Sleeter

    2015-06-01

    Full Text Available Spatially-explicit state-and-transition simulation models of land use and land cover (LULC increase our ability to assess regional landscape characteristics and associated carbon dynamics across multiple scenarios. By characterizing appropriate spatial attributes such as forest age and land-use distribution, a state-and-transition model can more effectively simulate the pattern and spread of LULC changes. This manuscript describes the methods and input parameters of the Land Use and Carbon Scenario Simulator (LUCAS, a customized state-and-transition simulation model utilized to assess the relative impacts of LULC on carbon stocks for the conterminous U.S. The methods and input parameters are spatially explicit and describe initial conditions (strata, state classes and forest age, spatial multipliers, and carbon stock density. Initial conditions were derived from harmonization of multi-temporal data characterizing changes in land use as well as land cover. Harmonization combines numerous national-level datasets through a cell-based data fusion process to generate maps of primary LULC categories. Forest age was parameterized using data from the North American Carbon Program and spatially-explicit maps showing the locations of past disturbances (i.e. wildfire and harvest. Spatial multipliers were developed to spatially constrain the location of future LULC transitions. Based on distance-decay theory, maps were generated to guide the placement of changes related to forest harvest, agricultural intensification/extensification, and urbanization. We analyze the spatially-explicit input parameters with a sensitivity analysis, by showing how LUCAS responds to variations in the model input. This manuscript uses Mediterranean California as a regional subset to highlight local to regional aspects of land change, which demonstrates the utility of LUCAS at many scales and applications.

  8. Methods used to parameterize the spatially-explicit components of a state-and-transition simulation model

    Science.gov (United States)

    Sleeter, Rachel; Acevedo, William; Soulard, Christopher E.; Sleeter, Benjamin M.

    2015-01-01

    Spatially-explicit state-and-transition simulation models of land use and land cover (LULC) increase our ability to assess regional landscape characteristics and associated carbon dynamics across multiple scenarios. By characterizing appropriate spatial attributes such as forest age and land-use distribution, a state-and-transition model can more effectively simulate the pattern and spread of LULC changes. This manuscript describes the methods and input parameters of the Land Use and Carbon Scenario Simulator (LUCAS), a customized state-and-transition simulation model utilized to assess the relative impacts of LULC on carbon stocks for the conterminous U.S. The methods and input parameters are spatially explicit and describe initial conditions (strata, state classes and forest age), spatial multipliers, and carbon stock density. Initial conditions were derived from harmonization of multi-temporal data characterizing changes in land use as well as land cover. Harmonization combines numerous national-level datasets through a cell-based data fusion process to generate maps of primary LULC categories. Forest age was parameterized using data from the North American Carbon Program and spatially-explicit maps showing the locations of past disturbances (i.e. wildfire and harvest). Spatial multipliers were developed to spatially constrain the location of future LULC transitions. Based on distance-decay theory, maps were generated to guide the placement of changes related to forest harvest, agricultural intensification/extensification, and urbanization. We analyze the spatially-explicit input parameters with a sensitivity analysis, by showing how LUCAS responds to variations in the model input. This manuscript uses Mediterranean California as a regional subset to highlight local to regional aspects of land change, which demonstrates the utility of LUCAS at many scales and applications.

  9. Simulation study on dynamics transition in neuronal activity during sleep cycle by using asynchronous and symmetry neural network model.

    Science.gov (United States)

    Nakao, M; Takahashi, T; Mizutani, Y; Yamamoto, M

    1990-01-01

    We have found that single neuronal activities in different regions in the brain commonly exhibit the distinct dynamics transition during sleep-waking cycle in cats. Especially, power spectral densities of single neuronal activities change their profiles from the white to the 1/f along with sleep cycle from slow wave sleep (SWS) to paradoxical sleep (PS). Each region has different neural network structure and physiological function. This suggests a globally working mechanism may be underlying the dynamics transition we concern. Pharmacological studies have shown that a change in a wide-spread serotonergic input to these regions possibly causes the neuronal dynamics transition during sleep cycle. In this paper, based on these experimental results, an asynchronous and symmetry neural network model including inhibitory input, which represents the role of the serotonergic system, is utilized to examine the reality of our idea that the inhibitory input level varying during sleep cycle induce that transition. Simulation results show that the globally applied inhibitory input can control the dynamics of single neuronal state evolution in the artificial neural network: 1/f-like power spectral density profiles result under weak inhibition, which possibly corresponds to PS, and white profiles under strong inhibition, which possibly corresponds to SWS. An asynchronous neural network is known to change its state according to its energy function. The geometrical structure of network energy function is thought to vary along with the change in inhibitory level, which is expected to cause the dynamics transition of neuronal state evolution in the network model. These simulation results support the possibility that the serotonergic system is essential for the dynamics transition of single neuronal activities during sleep cycle.

  10. Performance of Renormalization Group Algebraic Turbulence Model on Boundary Layer Transition Simulation

    Science.gov (United States)

    Ahn, Kyung H.

    1994-01-01

    The RNG-based algebraic turbulence model, with a new method of solving the cubic equation and applying new length scales, is introduced. An analysis is made of the RNG length scale which was previously reported and the resulting eddy viscosity is compared with those from other algebraic turbulence models. Subsequently, a new length scale is introduced which actually uses the two previous RNG length scales in a systematic way to improve the model performance. The performance of the present RNG model is demonstrated by simulating the boundary layer flow over a flat plate and the flow over an airfoil.

  11. Large eddy simulation of transitional flow in an idealized stenotic blood vessel: evaluation of subgrid scale models.

    Science.gov (United States)

    Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A; Frankel, Steven H

    2014-07-01

    In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, "Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow," J. Fluid Mech., 582, pp. 253-280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, "Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method," J. Comput. Phys., 227(13), pp. 6660-6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, "General Circulation Experiments With the Primitive Equations," Mon. Weather Rev., 91(10), pp. 99-164), recently developed Vreman model (Vreman, 2004, "An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications," Phys. Fluids, 16(10), pp. 3670-3681), and the Sigma model (Nicoud et al., 2011, "Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations," Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) ("OpenFOAM," http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo.

  12. Combining state-and-transition simulations and species distribution models to anticipate the effects of climate change

    Directory of Open Access Journals (Sweden)

    Brian W. Miller

    2015-05-01

    Full Text Available State-and-transition simulation models (STSMs are known for their ability to explore the combined effects of multiple disturbances, ecological dynamics, and management actions on vegetation. However, integrating the additional impacts of climate change into STSMs remains a challenge. We address this challenge by combining an STSM with species distribution modeling (SDM. SDMs estimate the probability of occurrence of a given species based on observed presence and absence locations as well as environmental and climatic covariates. Thus, in order to account for changes in habitat suitability due to climate change, we used SDM to generate continuous surfaces of species occurrence probabilities. These data were imported into ST-Sim, an STSM platform, where they dictated the probability of each cell transitioning between alternate potential vegetation types at each time step. The STSM was parameterized to capture additional processes of vegetation growth and disturbance that are relevant to a keystone species in the Greater Yellowstone Ecosystem—whitebark pine (Pinus albicaulis. We compared historical model runs against historical observations of whitebark pine and a key disturbance agent (mountain pine beetle, Dendroctonus ponderosae, and then projected the simulation into the future. Using this combination of correlative and stochastic simulation models, we were able to reproduce historical observations and identify key data gaps. Results indicated that SDMs and STSMs are complementary tools, and combining them is an effective way to account for the anticipated impacts of climate change, biotic interactions, and disturbances, while also allowing for the exploration of management options.

  13. Single-column model and large eddy simulation of the evening transition in the planetary boundary layer

    Science.gov (United States)

    Cuchiara, Gustavo; Rappenglück, Bernhard

    2016-04-01

    The transition from the convective boundary layer during the daytime to the stable stratified boundary layer during nighttime after sunset plays an important role in the transport and dispersion of atmospheric pollutants. However, our knowledge regarding this transition and its feedback on the structure of the subsequent nocturnal boundary layer is still restricted. This also prevents forecast models from accurate prediction of the onset and development of the nighttime boundary layer, which determines the redistribution of pollutants within the nocturnal surface layer and the residual layer aloft. In the present study, the well-known case of day 33 of the Wangara experiment is resimulated using the Weather Research and Forecasting (WRF) model in an idealized single-column mode to assess the performance of a frequently used planetary boundary layer (PBL) scheme, the Yonsei University (YSU) PBL scheme. These results are compared with two large eddy simulations (LES) for the same case study imposing different surface fluxes: one using previous surface fluxes calculated for the Wangara experiment and a second one using output from the WRF model. The results show a reasonable agreement of the PBL scheme in WRF with the LES. Overall, all the simulations presented a cold bias of ~3 Kelvin for the potential temperature and underestimation of the wind speed, especially after the transition to nighttime conditions (biases were up to 4 ms-1). Finally, an alternative set of eddy diffusivity equations was tested to represent the transition characteristics of a sunset period, with a stable layer below and a new parameterization for the convective decay regime typically observed in the RL aloft. This set of equations led to a gradual decrease of the eddy diffusivity, which replaces the instantaneous collapse of traditional diagnostics for eddy diffusivities. More appreciable changes were observed in air temperature, wind speed and specific humidity (up to 0.5 K, 0.6 ms-1, and 0

  14. A pipe network simulation model with dynamic transition between free surface and pressurized flow

    Directory of Open Access Journals (Sweden)

    J. Fernández-Pato

    2014-01-01

    Full Text Available Water flow numerical simulation in urban pipe systems is one of the topics that shows the need for surface flows and pressurized flows in steady and transient situations. The governing equations for both flow types are different and this must be taken into account in order to get a complete numerical model for solving transients. A numerical simulation model is developed in this work, capable of solving pipe networks mainly unpressurized, with isolated peaks of pressurization. For this purpose, a reformulation of the mathematical model through the Preissmann slot method is proposed. By means of this technique, a reasonable estimation of the water pressure is calculated in cases of pressurization. The numerical model is based on the first order Roe's scheme, in the frame of finite volume methods. It is adapted to abrupt transient situations, with subcritial and supercritical flows. The validation has been done by means of several cases with analytic solutions or empirical laboratory data. It has also been applied to some more complex and realistic cases, like junctions or pipe networks.

  15. A Subgrid-scale Model for Deflagration-to-Detonation Transitions in Type Ia Supernova Explosion Simulations - Numerical implementation

    CERN Document Server

    Ciaraldi-Schoolmann, F; Roepke, F K

    2013-01-01

    A promising model for normal Type Ia supernova (SN Ia) explosions are delayed detonations of Chandrasekhar-mass white dwarfs, in which the burning starts out as a subsonic deflagration and turns at a later phase of the explosion into a supersonic detonation. The mechanism of the underlying deflagration-to-detonation transition (DDT) is unknown in detail, but necessary conditions have been determined recently. The region of detonation initiation cannot be spatially resolved in multi-dimensional full-star simulations of the explosion. We develop a subgrid-scale (SGS) model for DDTs in thermonuclear supernova simulations that is consistent with the currently known constraints. The probability for a DDT to occur is calculated from the distribution of turbulent velocities measured on the grid scale in the vicinity of the flame and the fractal flame surface area that satisfies further physical constraints, such as fuel fraction and fuel density. The implementation of our DDT criterion provides a solid basis for sim...

  16. Encapsulating model complexity and landscape-scale analyses of state-and-transition simulation models: an application of ecoinformatics and juniper encroachment in sagebrush steppe ecosystems

    Science.gov (United States)

    O'Donnell, Michael

    2015-01-01

    State-and-transition simulation modeling relies on knowledge of vegetation composition and structure (states) that describe community conditions, mechanistic feedbacks such as fire that can affect vegetation establishment, and ecological processes that drive community conditions as well as the transitions between these states. However, as the need for modeling larger and more complex landscapes increase, a more advanced awareness of computing resources becomes essential. The objectives of this study include identifying challenges of executing state-and-transition simulation models, identifying common bottlenecks of computing resources, developing a workflow and software that enable parallel processing of Monte Carlo simulations, and identifying the advantages and disadvantages of different computing resources. To address these objectives, this study used the ApexRMS® SyncroSim software and embarrassingly parallel tasks of Monte Carlo simulations on a single multicore computer and on distributed computing systems. The results demonstrated that state-and-transition simulation models scale best in distributed computing environments, such as high-throughput and high-performance computing, because these environments disseminate the workloads across many compute nodes, thereby supporting analysis of larger landscapes, higher spatial resolution vegetation products, and more complex models. Using a case study and five different computing environments, the top result (high-throughput computing versus serial computations) indicated an approximate 96.6% decrease of computing time. With a single, multicore compute node (bottom result), the computing time indicated an 81.8% decrease relative to using serial computations. These results provide insight into the tradeoffs of using different computing resources when research necessitates advanced integration of ecoinformatics incorporating large and complicated data inputs and models. - See more at: http://aimspress.com

  17. Encapsulating model complexity and landscape-scale analyses of state-and-transition simulation models: an application of ecoinformatics and juniper encroachment in sagebrush steppe ecosystems

    Directory of Open Access Journals (Sweden)

    Michael S. O'Donnell

    2015-06-01

    Full Text Available State-and-transition simulation modeling relies on knowledge of vegetation composition and structure (states that describe community conditions, mechanistic feedbacks such as fire that can affect vegetation establishment, and ecological processes that drive community conditions as well as the transitions between these states. However, as the need for modeling larger and more complex landscapes increase, a more advanced awareness of computing resources becomes essential. The objectives of this study include identifying challenges of executing state-and-transition simulation models, identifying common bottlenecks of computing resources, developing a workflow and software that enable parallel processing of Monte Carlo simulations, and identifying the advantages and disadvantages of different computing resources. To address these objectives, this study used the ApexRMS® SyncroSim software and embarrassingly parallel tasks of Monte Carlo simulations on a single multicore computer and on distributed computing systems. The results demonstrated that state-and-transition simulation models scale best in distributed computing environments, such as high-throughput and high-performance computing, because these environments disseminate the workloads across many compute nodes, thereby supporting analysis of larger landscapes, higher spatial resolution vegetation products, and more complex models. Using a case study and five different computing environments, the top result (high-throughput computing versus serial computations indicated an approximate 96.6% decrease of computing time. With a single, multicore compute node (bottom result, the computing time indicated an 81.8% decrease relative to using serial computations. These results provide insight into the tradeoffs of using different computing resources when research necessitates advanced integration of ecoinformatics incorporating large and complicated data inputs and models.

  18. Direct numerical simulation of dynamo transition for nonhelical MHD

    Energy Technology Data Exchange (ETDEWEB)

    Nath, Dinesh; Verma, Mahendra K [Department of Physics, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Lessinnes, Thomas; Carati, Daniele [Physique Statistique et Plasmas, Universite Libre de Bruxellers, B-1050 Bruxelles (Belgium); Sarris, Ioannis [Department of Mechanical and Industrial Engineering, University of Thessaly, Volos (Greece)

    2010-02-01

    Pseudospectral Direct Numerical Simulation (DNS) has been performed to simulate dynamo transition for nonhelical magnetohydrodynamics turbulence. The numerical results are compared with a recent low-dimensional model [Verma et al. [13

  19. Simulation of shallow cumuli and their transition to deep convective clouds by cloud-resolving models with different third-order turbulence closures

    Science.gov (United States)

    Cheng, Anning; Xu, Kuan-Man

    2006-01-01

    The abilities of a cloud-resolving model (CRM) with double-Gaussian based and quasi-Gaussian based third-order closures (TOCs) to simulate shallow cumuli and their transition to deep convective clouds are compared in this study. The quasi-Gaussian based TOC is fully prognostic (FP), while the double-Gaussian based TOC is intermediately prognostic (IP). The latter only predicts three important third-order moments while the former predicts all the third-order moments. A shallow cumulus case is simulated by single-column versions of the FP and IP TOC models and a large-eddy simulation (LES). The IP TOC improves the simulation of shallow cumulus greatly over the FP TOC by producing more realistic cloud structures, when both are compared to LES. Large differences of the second- and third-order moments between the FP and IP TOC simulations appear in the cloud layer, because the cloud top height is underestimated by the FP TOC simulation. Sensitivity experiments and analysis of probability density functions (pdfs) used in the TOCs show that both the turbulence-scale condensation and higher-order moments are important to realistic simulations of the boundary-layer shallow cumuli.A shallow to deep convective cloud transition case is also simulated by the two-dimensional (2-D) version of the CRM with FP and IP TOCs. Both simulations can capture the transition from the shallow cumuli to deep convective clouds. The IP simulations produce more and deeper shallow cumuli than the FP simulations, but the FP simulations produce larger and wider convective clouds than the IP simulations. The temporal evolutions of cloud and precipitation are closely related to the turbulent transport, the cold pool and the cloud-scale circulation. The large amount of turbulent mixing associated with the shallow cumuli slows down the increase of the convective available potential energy and inhibits the early transition to deep convective clouds in the IP simulation. When the deep convective clouds

  20. Delay modeling in logic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Acken, J. M.; Goldstein, L. H.

    1980-01-01

    As digital integrated circuit size and complexity increases, the need for accurate and efficient computer simulation increases. Logic simulators such as SALOGS (SAndia LOGic Simulator), which utilize transition states in addition to the normal stable states, provide more accurate analysis than is possible with traditional logic simulators. Furthermore, the computational complexity of this analysis is far lower than that of circuit simulation such as SPICE. An eight-value logic simulation environment allows the use of accurate delay models that incorporate both element response and transition times. Thus, timing simulation with an accuracy approaching that of circuit simulation can be accomplished with an efficiency comparable to that of logic simulation. 4 figures.

  1. PyTransit: Transit light curve modeling

    Science.gov (United States)

    Parviainen, Hannu

    2015-05-01

    PyTransit implements optimized versions of the Giménez and Mandel & Agol transit models for exoplanet transit light-curves. The two models are implemented natively in Fortran with OpenMP parallelization, and are accessed by an object-oriented python interface. PyTransit facilitates the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of data points, and of multipassband transit light curves from spectrophotometric observations. It offers efficient model evaluation for multicolour observations and transmission spectroscopy, built-in supersampling to account for extended exposure times, and routines to calculate the projected planet-to-star distance for circular and eccentric orbits, transit durations, and more.

  2. Shock-to-Detonation Transition simulations

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-07-14

    Shock-to-detonation transition (SDT) experiments with embedded velocity gauges provide data that can be used for both calibration and validation of high explosive (HE) burn models. Typically, a series of experiments is performed for each HE in which the initial shock pressure is varied. Here we describe a methodology for automating a series of SDT simulations and comparing numerical tracer particle velocities with the experimental gauge data. Illustrative examples are shown for PBX 9502 using the HE models implemented in the xRage ASC code at LANL.

  3. Large Eddy Simulation of Transitional Boundary Layer

    Science.gov (United States)

    Sayadi, Taraneh; Moin, Parviz

    2009-11-01

    A sixth order compact finite difference code is employed to investigate compressible Large Eddy Simulation (LES) of subharmonic transition of a spatially developing zero pressure gradient boundary layer, at Ma = 0.2. The computational domain extends from Rex= 10^5, where laminar blowing and suction excites the most unstable fundamental and sub-harmonic modes, to fully turbulent stage at Rex= 10.1x10^5. Numerical sponges are used in the neighborhood of external boundaries to provide non-reflective conditions. Our interest lies in the performance of the dynamic subgrid scale (SGS) model [1] in the transition process. It is observed that in early stages of transition the eddy viscosity is much smaller than the physical viscosity. As a result the amplitudes of selected harmonics are in very good agreement with the experimental data [2]. The model's contribution gradually increases during the last stages of transition process and the dynamic eddy viscosity becomes fully active and dominant in the turbulent region. Consistent with this trend the skin friction coefficient versus Rex diverges from its laminar profile and converges to the turbulent profile after an overshoot. 1. Moin P. et. al. Phys Fluids A, 3(11), 2746-2757, 1991. 2. Kachanov Yu. S. et. al. JFM, 138, 209-247, 1983.

  4. Influence of chain topology and bond potential on the glass transition of polymer chains simulated with the bond fluctuation model

    Energy Technology Data Exchange (ETDEWEB)

    Freire, J J [Departamento de Ciencias y Tecnicas FisicoquImicas, Facultad de Ciencias, Universidad Nacional de Educacion a Distancia (UNED), Senda del Rey 9, 28040 Madrid (Spain)], E-mail: jfreire@invi.uned.es

    2008-07-16

    The bond fluctuation model with a bond potential has been applied to investigation of the glass transition of linear chains and chains with a regular disposition of small branches. Cooling and subsequent heating curves are obtained for the chain energies and also for the mean acceptance probability of a bead jump. In order to mimic different trends to vitrification, a factor B gauging the strength of the bond potential with respect to the long-range potential (i.e. the intramolecular or intermolecular potential between indirectly bonded beads) has been introduced. (A higher value of B leads to a preference for the highest bond lengths and a higher total energy, implying a greater tendency to vitrify.) Different cases have been considered for linear chains: no long-range potential, no bond potential and several choices for B. Furthermore, two distinct values of B have been considered for alternate bonds in linear chains. In the case of the branched chains, mixed models with different values of B for bonds in the main chain and in the branches have also been investigated. The possible presence of ordering or crystallization has been characterized by calculating the collective light scattering function of the different samples after annealing at a convenient temperature below the onset of the abrupt change in the curves associated with a thermodynamic transition. It is concluded that ordering is inherited more efficiently in the systems with branched chains and also for higher values of B. The branched molecules with the highest B values in the main chain bonds exhibit two distinct transitions in the heating curves, which may be associated with two glass transitions. This behavior has been detected experimentally for chains with relatively long flexible branches.

  5. Simulation Transition Radiation and Electron Identification Ability of the ATLAS Transition Radiation Tracker

    CERN Document Server

    Klinkby, E B; The ATLAS collaboration

    2011-01-01

    Using test-beam as well as collision data, the transition radiation model of the ATLAS simulation is tuned to match data. Furthermore the electron identification abilities of the ATLAS Transition Radiation Tracker are discussed, and example on usage in physics analysis are shown.

  6. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-03-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  7. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-01-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  8. Numerical simulation of transition in wall-bounded shear flows

    Science.gov (United States)

    Kleiser, Leonhard; Zang, Thomas A.

    1991-01-01

    The current status of numerical simulation techniques for the transition to turbulence in incompressible channel and boundary-layer flows is surveyed, and typical results are presented graphically. The focus is on direct numerical simulations based on the full nonlinear time-dependent Navier-Stokes equations without empirical closure assumptions for prescribed initial and boundary conditions. Topics addressed include the vibrating ribbon problem, space and time discretization, initial and boundary conditions, alternative methods based on the triple-deck approximation, two-dimensional channel and boundary-layer flows, three-dimensional boundary layers, wave packets and turbulent spots, compressible flows, transition control, and transition modeling.

  9. Granular Solid-liquid Transition: Experiment and Simulation

    Science.gov (United States)

    Fei, M.; Xu, X.; Sun, Q.

    2015-12-01

    Granular media are amorphous materials, which differs from traditional solid or liquid. In different circumstance, granular behavior varies from solid-like to liquid-like, and the transitions between these regimes are always related to many complex natural progresses such as the failure of soil foundation and the occurrence of landslide and debris flow. The mechanic of elastic instability during the transition from solid-like to liquid-like regime, and the quantitative description of irreversible deformation during flow are the key problems to interpret these transition phenomena. In this work, we developed a continuum model with elastic stable condition and irreversible flow rule of granular material based on a thermal dynamical model, the Two-Granular-Temperature model (TGT). Since infinitesimal elastic deformation in solid-like regime and significant plastic large deformation in liquid-like regime can coexist in the granular solid-liquid transition process, the material point method (MPM) was used to build an effective numerical model. Collapse of rectangular granular pile contains both the transition from granular solid to granular liquid and the inverse process, thus in this work we carried out collapse experiment with clay particles, and simulated the experiment with our continuum model and an open-source DEM model YADE to study the transition processes. Results between experiment and simulations were compared and good agreements on collapse shape and velocity profiles were achieved, and the new model proposed in this work seems to work well on the description of granular solid-liquid transition.

  10. Simulation of seismic waves at the Earth crust (brittle-ductile transition based on the Burgers model

    Directory of Open Access Journals (Sweden)

    J. M. Carcione

    2014-06-01

    Full Text Available The Earth crust presents two dissimilar rheological behaviours depending on the in-situ stress-temperature conditions. The upper, cooler, part is brittle while deeper zones are ductile. Seismic waves may reveal the presence of the transition but a proper characterization is required. We first obtain a stress–strain relation including the effects of shear seismic attenuation and ductility due to shear deformations and plastic flow. The anelastic behaviour is based on the Burgers mechanical model to describe the effects of seismic attenuation and steady-state creep flow. The shear Lamé constant of the brittle and ductile media depends on the in-situ stress and temperature through the shear viscosity, which is obtained by the Arrhenius equation and the octahedral stress criterion. The P- and S-wave velocities decrease as depth and temperature increase due to the geothermal gradient, an effect which is more pronounced for shear waves. We then obtain the P-S and SH equations of motion recast in the velocity-stress formulation, including memory variables to avoid the computation of time convolutions. The equations correspond to isotropic anelastic and inhomogeneous media and are solved by a direct grid method based on the Runge–Kutta time stepping technique and the Fourier pseudospectral method. The algorithm is tested with success against known analytical solutions for different shear viscosities. A realistic example illustrates the computation of surface and reverse-VSP synthetic seismograms in the presence of an abrupt brittle-ductile transition.

  11. Large-eddy simulation of transitional channel flow

    Science.gov (United States)

    Piomelli, Ugo; Zang, Thomas A.

    1990-01-01

    A large-eddy simulation (LES) of transition in plane channel flow was carried out. The LES results were compared with those of a fine direct numerical simulation (DNS), and with those of a coarse DNS that uses the same mesh as the LES, but does not use a residual stress model. While at the early stages of transition, LES and coarse DNS give the same results: the presence of the residual stress model was found to be necessary to predict accurately mean velocity and Reynolds stress profiles during the late stages of transition (after the second spike stage). The evolution of single Fourier modes is also predicted more accurately by the LES than by the DNS. As small scales are generated, the dissipative character of the residual stress starts to reproduce correctly the energy cascade. As transition progresses, the flow approaches its fully developed turbulent state, the subgrid scales tend towards equilibrium, and the model becomes more accurate.

  12. Transition crossing simulation at the Fermilab Booster

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.; Drozhdin, A.I.; Pellico, W.; /Fermilab

    2007-06-01

    The demand in high intensity and low emittance of the beam extracted from the Booster requires a better control over the momentum spread growth and bunch length shortening at transition crossing, in order to prevent beam loss and coupled bunch instability. Since the transition crossing involves both longitudinal and transverse dynamics, the recently modified 3-D STRUCT code provides an opportunity to numerically investigate the different transition crossing schemes in the machine environment, and apply the results of simulation to minimize the beam loss and emittance growth operationally.

  13. Stochastic approach to municipal solid waste landfill life based on the contaminant transit time modeling using the Monte Carlo (MC) simulation.

    Science.gov (United States)

    Bieda, Bogusław

    2013-01-01

    The paper is concerned with application and benefits of MC simulation proposed for estimating the life of a modern municipal solid waste (MSW) landfill. The software Crystal Ball® (CB), simulation program that helps analyze the uncertainties associated with Microsoft® Excel models by MC simulation, was proposed to calculate the transit time contaminants in porous media. The transport of contaminants in soil is represented by the one-dimensional (1D) form of the advection-dispersion equation (ADE). The computer program CONTRANS written in MATLAB language is foundation to simulate and estimate the thickness of landfill compacted clay liner. In order to simplify the task of determining the uncertainty of parameters by the MC simulation, the parameters corresponding to the expression Z2 taken from this program were used for the study. The tested parameters are: hydraulic gradient (HG), hydraulic conductivity (HC), porosity (POROS), linear thickness (TH) and diffusion coefficient (EDC). The principal output report provided by CB and presented in the study consists of the frequency chart, percentiles summary and statistics summary. Additional CB options provide a sensitivity analysis with tornado diagrams. The data that was used include available published figures as well as data concerning the Mittal Steel Poland (MSP) S.A. in Kraków, Poland. This paper discusses the results and show that the presented approach is applicable for any MSW landfill compacted clay liner thickness design.

  14. Phase Transition Properties of 3D Potts Models

    CERN Document Server

    Bazavov, Alexei; Dubey, Santosh

    2008-01-01

    Using multicanonical Metropolis simulations we estimate phase transition properties of 3D Potts models for q=4 to 10: The transition temperatures, latent heats, entropy gaps, normalized entropies at the disordered and ordered endpoints, interfacial tensions, and spinodal endpoints.

  15. Coarse-grained Monte Carlo simulations of the phase transition of the Potts model on weighted networks.

    Science.gov (United States)

    Shen, Chuansheng; Chen, Hanshuang; Hou, Zhonghuai; Xin, Houwen

    2011-06-01

    Developing an effective coarse-grained (CG) approach is a promising way for studying dynamics on large size networks. In the present work, we have proposed a strength-based CG (s-CG) method to study critical phenomena of the Potts model on weighted complex networks. By merging nodes with close strengths together, the original network is reduced to a CG network with much smaller size, on which the CG Hamiltonian can be well defined. In particular, we make an error analysis and show that our s-CG approach satisfies the condition of statistical consistency, which demands that the equilibrium probability distribution of the CG model matches that of the microscopic counterpart. Extensive numerical simulations are performed on scale-free networks and random networks, without or with strength correlation, showing that this s-CG approach works very well in reproducing the phase diagrams, fluctuations, and finite-size effects of the microscopic model, while the d-CG approach proposed in our recent work [Phys. Rev. E 82, 011107 (2010)] does not.

  16. AN AGENT-BASED SIMULATION ON MARKET CONSIDERING KNOWLEDGE TRANSITION AND SOCIAL IMPACT

    Institute of Scientific and Technical Information of China (English)

    Tieju Ma; Mina Ryoke; Yoshiteru Nakamori

    2002-01-01

    In this paper, an agent-based simulation about knowledge transition associated with social impact in market is introduced. In the simulation, the genetic algorithm is used to generate the next generation products and a dynamic social impact model is used to simulate how customers are influenced by other customers. The simulation and its results not only show some features and patterns of knowledge transition, but also explore and display some phenomena of business cultures. On the basis of the innovation model of knowledge-based economy, the transition between technical knowledge and products knowledge is discussed, and a fuzzy linear quantification model which can be used to simulate the transition is introduced.

  17. Cluster Monte Carlo simulations of the nematic-isotropic transition

    Science.gov (United States)

    Priezjev, N. V.; Pelcovits, Robert A.

    2001-06-01

    We report the results of simulations of the three-dimensional Lebwohl-Lasher model of the nematic-isotropic transition using a single cluster Monte Carlo algorithm. The algorithm, first introduced by Kunz and Zumbach to study two-dimensional nematics, is a modification of the Wolff algorithm for spin systems, and greatly reduces critical slowing down. We calculate the free energy in the neighborhood of the transition for systems up to linear size 70. We find a double well structure with a barrier that grows with increasing system size. We thus obtain an upper estimate of the value of the transition temperature in the thermodynamic limit.

  18. Experiments performed with bubbly flow in vertical pipes at different flow conditions covering the transition region: simulation by coupling Eulerian, Lagrangian and 3D random walks models

    Science.gov (United States)

    Muñoz-Cobo, José; Chiva, Sergio; El Aziz Essa, Mohamed; Mendes, Santos

    2012-08-01

    Two phase flow experiments with different superficial velocities of gas and water were performed in a vertical upward isothermal cocurrent air-water flow column with conditions ranging from bubbly flow, with very low void fraction, to transition flow with some cap and slug bubbles and void fractions around 25%. The superficial velocities of the liquid and the gas phases were varied from 0.5 to 3 m/s and from 0 to 0.6 m/s, respectively. Also to check the effect of changing the surface tension on the previous experiments small amounts of 1-butanol were added to the water. These amounts range from 9 to 75 ppm and change the surface tension. This study is interesting because in real cases the surface tension of the water diminishes with temperature, and with this kind of experiments we can study indirectly the effect of changing the temperature on the void fraction distribution. The following axial and radial distributions were measured in all these experiments: void fraction, interfacial area concentration, interfacial velocity, Sauter mean diameter and turbulence intensity. The range of values of the gas superficial velocities in these experiments covered the range from bubbly flow to the transition to cap/slug flow. Also with transition flow conditions we distinguish two groups of bubbles in the experiments, the small spherical bubbles and the cap/slug bubbles. Special interest was devoted to the transition region from bubbly to cap/slug flow; the goal was to understand the physical phenomena that take place during this transition A set of numerical simulations of some of these experiments for bubbly flow conditions has been performed by coupling a Lagrangian code, that tracks the three dimensional motion of the individual bubbles in cylindrical coordinates inside the field of the carrier liquid, to an Eulerian model that computes the magnitudes of continuous phase and to a 3D random walk model that takes on account the fluctuation in the velocity field of the

  19. Sphere-to-Rod Transitions of Nonionic Surfactant Micelles in Aqueous Solution Modeled by Molecular Dynamics Simulations

    NARCIS (Netherlands)

    Velinova, Maria; Sengupta, Durba; Tadjer, Alia V.; Marrink, Siewert-Jan

    2011-01-01

    Control of the size and agglomeration of micellar systems is important for pharmaceutical applications such as drug delivery. Although shape-related transitions in surfactant solutions are studied experimentally, their molecular mechanisms are still not well understood. In this study, we use coarse-

  20. Land-use impacts on water resources and protected areas: applications of state-and-transition simulation modeling of future scenarios

    Science.gov (United States)

    Wilson, Tamara; Sleeter, Benjamin M.; Sherba, Jason T; Dick Cameron,

    2015-01-01

    Human land use will increasingly contribute to habitat loss and water shortages in California, given future population projections and associated land-use demand. Understanding how land-use change may impact future water use and where existing protected areas may be threatened by land-use conversion will be important if effective, sustainable management approaches are to be implemented. We used a state-and-transition simulation modeling (STSM) framework to simulate spatially-explicit (1 km2) historical (1992-2010) and future (2011-2060) land-use change for 52 California counties within Mediterranean California ecoregions. Historical land use and land cover (LULC) change estimates were derived from the Farmland Mapping and Monitoring Program dataset and attributed with county-level agricultural water-use data from the California Department of Water Resources. Five future alternative land-use scenarios were developed and modeled using the historical land-use change estimates and land-use projections based on the Intergovernmental Panel on Climate Change's Special Report on Emission Scenarios A2 and B1 scenarios. Spatial land-use transition outputs across scenarios were combined to reveal scenario agreement and a land conversion threat index was developed to evaluate vulnerability of existing protected areas to proximal land conversion. By 2060, highest LULC conversion threats were projected to impact nearly 10,500 km2 of land area within 10 km of a protected area boundary and over 18,000 km2 of land area within essential habitat connectivity areas. Agricultural water use declined across all scenarios perpetuating historical drought-related land use from 2008-2010 and trends of annual cropland conversion into perennial woody crops. STSM is useful in analyzing land-use related impacts on water resource use as well as potential threats to existing protected land. Exploring a range of alternative, yet plausible, LULC change impacts will help to better inform resource

  1. Land-use impacts on water resources and protected areas: applications of state-and-transition simulation modeling of future scenarios

    Directory of Open Access Journals (Sweden)

    Tamara S. Wilson

    2015-04-01

    Full Text Available Human land use will increasingly contribute to habitat loss and water shortages in California, given future population projections and associated land-use demand. Understanding how land-use change may impact future water use and where existing protected areas may be threatened by land-use conversion will be important if effective, sustainable management approaches are to be implemented. We used a state-and-transition simulation modeling (STSM framework to simulate spatially-explicit (1 km2 historical (1992‒2010 and future (2011‒2060 land-use change for 52 California counties within Mediterranean California ecoregions. Historical land use and land cover (LULC change estimates were derived from the Farmland Mapping and Monitoring Program dataset and attributed with county-level agricultural water-use data from the California Department of Water Resources. Five future alternative land-use scenarios were developed and modeled using the historical land-use change estimates and land-use projections based on the Intergovernmental Panel on Climate Change’s Special Report on Emission Scenarios A2 and B1 scenarios. Spatial land-use transition outputs across scenarios were combined to reveal scenario agreement and a land conversion threat index was developed to evaluate vulnerability of existing protected areas to proximal land conversion. By 2060, highest LULC conversion threats were projected to impact nearly 10,500 km2 of land area within 10 km of a protected area boundary and over 18,000 km2 of land area within essential habitat connectivity areas. Agricultural water use declined across all scenarios perpetuating historical drought-related land use from 2008‒2010 and trends of annual cropland conversion into perennial woody crops. STSM is useful in analyzing land-use related impacts on water resource use as well as potential threats to existing protected land. Exploring a range of alternative, yet plausible, LULC change impacts will help to

  2. Simulation of seismic waves at the Earth crust (brittle-ductile transition) based on the Burgers model

    OpenAIRE

    Carcione, J.M.; Poletto, F.; B. Farina; A. Craglietto

    2014-01-01

    The Earth crust presents two dissimilar rheological behaviours depending on the in-situ stress-temperature conditions. The upper, cooler, part is brittle while deeper zones are ductile. Seismic waves may reveal the presence of the transition but a proper characterization is required. We first obtain a stress–strain relation including the effects of shear seismic attenuation and ductility due to shear deformations and plastic flow. The anelastic behaviour i...

  3. Simulation of seismic waves at the earth's crust (brittle–ductile transition) based on the Burgers model

    OpenAIRE

    Carcione, J.M.; Poletto, F.; B. Farina; A. Craglietto

    2014-01-01

    The earth's crust presents two dissimilar rheological behaviors depending on the in situ stress-temperature conditions. The upper, cooler part is brittle, while deeper zones are ductile. Seismic waves may reveal the presence of the transition but a proper characterization is required. We first obtain a stress–strain relation, including the effects of shear seismic attenuation and ductility due to shear deformations and plastic flow. The anelastic behavior is based on the Bur...

  4. Ultra-dense Hot Low Z Line Transition Opacity Simulations

    Science.gov (United States)

    Sauvan, P.; Mínguez, E.; Gil, J. M.; Rodríguez, R.; Rubiano, J. G.; Martel, P.; Angelo, P.; Schott, R.; Philippe, F.; Leboucher-Dalimier, E.; Mancini, R.; Calisti, A.

    2002-12-01

    In this work two atomic physics models (the IDEFIX code using the dicenter model and the code based on parametric potentials ANALOP) have been used to calculate the opacities for bound-bound transitions in hot ultra-dense, low Z plasmas. These simulations are in connection with experiments carried out at LULI during the last two years, focused on bound-bound radiation. In this paper H-like opacities for aluminum and fluorine plasmas have been simulated, using both theoretical models, in a wide range of densities and temperatures higher than 200 eV.

  5. Electroweak Phase Transition in the MSSM 4-Dimensional Lattice Simulations

    CERN Document Server

    Csikor, Ferenc; Hegedüs, P; Jakovác, A; Katz, S D; Piróth, A

    2000-01-01

    Recent lattice results have shown that there is no Standard Model (SM) electroweak phase transition (EWPT) for Higgs boson masses above \\approx 72 GeV, which is below the present experimental limit. According to perturbation theory and 3-dimensional (3d) lattice simulations there could be an EWPT in the Minimal Supersymmetric Standard Model (MSSM) that is strong enough for baryogenesis up to m_h \\approx 105 GeV. In this letter we present the results of our large scale 4-dimensional (4d) lattice simulations for the MSSM EWPT. We carried out infinite volume and continuum limit extrapolations, which show a somewhat weaker transition than suggested by 3d simulations. The upper bound of the lightest Higgs boson mass for a MSSM baryogenesis scenario is m_h = 97 +/- 4 GeV. We determined the properties of the bubble wall that are important for a successful baryogenesis.

  6. Transitivity reinforcement in the coevolving voter model

    CERN Document Server

    Malik, Nishant; Lee, Hsuan-Wei; Mucha, Peter J

    2016-01-01

    One of the fundamental structural properties of many networks is triangle closure. Whereas the influence of this transitivity on a variety of contagion dynamics has been previously explored, existing models of coevolving or adaptive network systems use rewiring rules that randomize away this important property. In contrast, we study here a modified coevolving voter model dynamics that explicitly reinforces and maintains such clustering. Employing extensive numerical simulations, we establish that the transitions and dynamical states observed in coevolving voter model networks without clustering are altered by reinforcing transitivity in the model. We then use a semi-analytical framework in terms of approximate master equations to predict the dynamical behaviors of the model for a variety of parameter settings.

  7. Transiting Exoplanet Simulations with the James Webb Space Telescope

    CERN Document Server

    Batalha, Natasha; Lunine, Jonathan; Clampin, Mark; Lindler, Don

    2015-01-01

    In this white paper, we assess the potential for JWST to characterize the atmospheres of super-Earth exoplanets, by simulating a range of transiting spectra with different masses and temperatures. Our results are based on a JWST simulator tuned to the expected performance of the workhorse spectroscopic instrument NIRSpec, and is based on the latest exoplanet transit models by Howe & Burrows (2012). This study is especially timely since the observing modes for the science instruments on JWST are finalized (Clampin 2010) and because NASA has selected the TESS mission as an upcoming Explorer. TESS is expected to identify more than 1000 transiting exoplanet candidates, including a sample of about 100 nearby (<50 pc) super- Earths (Ricker et al. 2010).

  8. On the semimetal-insulator transition and Lifshitz transition in simulations of mono-layer graphene

    CERN Document Server

    Smith, Dominik; von Smekal, Lorenz

    2014-01-01

    We report on the status of ongoing Hybrid-Monte-Carlo simulations of the tight-binding model of mono-layer graphene. We present results concerning the semimetal-insulator phase transition, whereby two-body interactions are modeled by a partially screened Coulomb potential which takes into account screening by electrons in the lower $\\sigma$-orbitals. We obtain evidence that finite-size effects may still be present in the current estimate of the critical coupling strength $\\alpha_C$, which was previously extracted from simulations on lattice-sizes up to $N_x=N_y=18$. We also present preliminary results concerning the Neck-disrupting Lifshitz transition which occurs at finite Fermion-density in the limit of vanishing two-body interactions. A sign-problem is circumvented by using a spin-dependent chemical potential in our simulations.

  9. Three-dimensional radiative transfer simulations of the scattering polarization of the hydrogen Ly$\\alpha$ line in a MHD model of the chromosphere-corona transition region

    CERN Document Server

    Stepan, Jiri; Leenaarts, Jorrit; Carlsson, Mats

    2015-01-01

    Probing the magnetism of the upper solar chromosphere requires measuring and modeling the scattering polarization produced by anisotropic radiation pumping in UV spectral lines. Here we apply PORTA (a novel radiative transfer code) to investigate the hydrogen Ly$\\alpha$ line in a 3D model of the solar atmosphere resulting from a state of the art MHD simulation. At full spatial resolution the linear polarization signals are very significant all over the solar disk, with a large fraction of the field of view showing line-center amplitudes well above the 1% level. Via the Hanle effect the line-center polarization signals are sensitive to the magnetic field of the model's transition region, even when its mean field strength is only 15 G. The breaking of the axial symmetry of the radiation field produces significant forward-scattering polarization in Ly$\\alpha$, without the need of an inclined magnetic field. Interestingly, the Hanle effect tends to decrease such forward-scattering polarization signals in most of ...

  10. State-and-transition simulation modeling to compare outcomes of alternative management scenarios under two natural disturbance regimes in a forested landscape in northeastern Wisconsin, USA

    Directory of Open Access Journals (Sweden)

    Amanda Swearingen

    2015-07-01

    Full Text Available Comparisons of the potential outcomes of multiple land management strategies and an understanding of the influence of potential increases in climate-related disturbances on these outcomes are essential for long term land management and conservation planning. To provide these insights, we developed an approach that uses collaborative scenario development and state-and-transition simulation modeling to provide land managers and conservation practitioners with a comparison of potential landscapes resulting from alternative management scenarios and climate conditions, and we have applied this approach in the Wild Rivers Legacy Forest (WRLF area in northeastern Wisconsin. Three management scenarios were developed with input from local land managers, scientists, and conservation practitioners: 1 continuation of current management, 2 expanded working forest conservation easements, and 3 cooperative ecological forestry. Scenarios were modeled under current climate with contemporary probabilities of natural disturbance and under increased probability of windthrow and wildfire that may result from climate change in this region. All scenarios were modeled for 100 years using the VDDT/TELSA modeling suite. Results showed that landscape composition and configuration were relatively similar among scenarios, and that management had a stronger effect than increased probability of windthrow and wildfire. These findings suggest that the scale of the landscape analysis used here and the lack of differences in predominant management strategies between ownerships in this region play significant roles in scenario outcomes. The approach used here does not rely on complex mechanistic modeling of uncertain dynamics and can therefore be used as starting point for planning and further analysis.

  11. Simulation modeling and arena

    CERN Document Server

    Rossetti, Manuel D

    2015-01-01

    Emphasizes a hands-on approach to learning statistical analysis and model building through the use of comprehensive examples, problems sets, and software applications With a unique blend of theory and applications, Simulation Modeling and Arena®, Second Edition integrates coverage of statistical analysis and model building to emphasize the importance of both topics in simulation. Featuring introductory coverage on how simulation works and why it matters, the Second Edition expands coverage on static simulation and the applications of spreadsheets to perform simulation. The new edition als

  12. Dealing with selection bias in educational transition models

    DEFF Research Database (Denmark)

    Holm, Anders; Jæger, Mads Meier

    2011-01-01

    This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational...... transitions to be correlated across transitions. We use simulated and real data to illustrate how the BPSM improves on the traditional Mare model in terms of correcting for selection bias and providing credible estimates of the effect of family background on educational success. We conclude that models which...... account for selection on unobserved variables and high-quality data are both required in order to estimate credible educational transition models....

  13. Glass transitions in the cellular Potts model

    Science.gov (United States)

    Chiang, M.; Marenduzzo, D.

    2016-10-01

    We study the dynamical transition between a fluid-like and a solid-like phase in a confluent cell monolayer, by using the cellular Potts model and computer simulations. We map out the phase diagram as a function of interfacial tension and of cell motility. While in the fluid phase there is normal diffusion, in the solid phase we observe sub-diffusion, very slow relaxation, and ageing, thereby strongly suggesting that this phase is glassy. Our results complement previous theoretical work within the vertex model and show that the cellular Potts model can account for the experimentally observed glassy dynamics of some biological tissues.

  14. Topological transitions in Ising models

    CERN Document Server

    Jalal, Somenath; Lal, Siddhartha

    2016-01-01

    The thermal dynamics of the two-dimensional Ising model and quantum dynamics of the one-dimensional transverse-field Ising model (TFIM) are mapped to one another through the transfer-matrix formalism. We show that the fermionised TFIM undergoes a Fermi-surface topology-changing Lifshitz transition at its critical point. We identify the degree of freedom which tracks the Lifshitz transition via changes in topological quantum numbers (e.g., Chern number, Berry phase etc.). An emergent $SU(2)$ symmetry at criticality is observed to lead to a topological quantum number different from that which characterises the ordered phase. The topological transition is also understood via a spectral flow thought-experiment in a Thouless charge pump, revealing the bulk-boundary correspondence across the transition. The duality property of the phases and their entanglement content are studied, revealing a holographic relation with the entanglement at criticality. The effects of a non-zero longitudinal field and interactions tha...

  15. Numerical Simulation of Receptivity for a Transition Experiment

    Science.gov (United States)

    Collis, S. Scott; Joslin, R. D. (Technical Monitor)

    2000-01-01

    The cost of fuel to overcome turbulence induced viscous drag on a commercial airplane constitutes a significant fraction of the operating cost of an airline. Achieving laminar flow and maintaining it over a large portion of the wing can significantly reduce the viscous drag, and hence the cost. Design of such laminar-flow-control wings and their practical operation requires the ability to accurately and reliably predict the transition from laminar to turbulent flow. The transition process begins with the conversion of environmental and surface disturbances into the instability waves of the flow by a process called receptivity. The goal of the current research project has been to improve the prediction of transition through a better understanding of the physics of receptivity. The initial objective of this work was to investigate the specific stability and receptivity characteristics of a particular experimental investigation of boundary layer receptivity at NASA Langley. Some simulation results using direct solutions of the linearized Navier-Stokes equations which modeled this experiment where presented in the 1999 APS DFD meeting. However, based on these initial investigations, it became clear that to cover the vast receptivity parameter space required for a practical transition prediction tool, more efficient methods would be required. Thus, the focus of this research was shifted from modeling this particular experiment to formulating and developing new techniques that could efficiently yet accurately predict receptivity for a wide range of disturbance conditions.

  16. Phase Transition in Tensor Models

    CERN Document Server

    Delepouve, Thibault

    2015-01-01

    Generalizing matrix models, tensor models generate dynamical triangulations in any dimension and support a $1/N$ expansion. Using the intermediate field representation we explicitly rewrite a quartic tensor model as a field theory for a fluctuation field around a vacuum state corresponding to the resummation of the entire leading order in $1/N$ (a resummation of the melonic family). We then prove that the critical regime in which the continuum limit in the sense of dynamical triangulations is reached is precisely a phase transition in the field theory sense for the fluctuation field.

  17. AN AGENT—BASED SIMULATION ON MARKET CONSIDERING KNOWLEDGE TRANSITION AND SOCIAL IMPACT

    Institute of Scientific and Technical Information of China (English)

    Tieju; MinaRyoke; 等

    2002-01-01

    In this paper,an agent-based simulation about knowledge transition associated with social impact in market is introduced.In the simulation,the genetic algorthm is used to generate the next generation products and a dynamic social impact model is used to simulate how customers are influenced by other customers.The simulation and its results not only show some features and patterns of knowlege transition,but also explore and display some phenomena of business cultures.On the basis of the innovation model of knowledge-based economy,the transition between technical knowledge and products knowledge is discussed,and a fuzzy linear quantification model which can be used to simulate the transition is introduced.

  18. Computer Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Pronskikh, V. S. [Fermilab

    2014-05-09

    Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes

  19. Theory Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Shlachter, Jack [Los Alamos National Laboratory

    2012-08-23

    Los Alamos has a long history in theory, modeling and simulation. We focus on multidisciplinary teams that tackle complex problems. Theory, modeling and simulation are tools to solve problems just like an NMR spectrometer, a gas chromatograph or an electron microscope. Problems should be used to define the theoretical tools needed and not the other way around. Best results occur when theory and experiments are working together in a team.

  20. Modeling and Simulation of Current Source Inverter Fed Synchronous Motor in Complex Frequency Domain Taking the Transition Zone From Induction Motor to Synchronous Motor Mode into Account

    OpenAIRE

    A.B. Chattopadhyay; Sunil Thomas

    2014-01-01

    Modeling of synchronous motor plays a dominant role in designing complicated drive system for different applications, especially large blower fans etc for steel industries. As synchronous motor has no inherent starting torque generally it is started as an induction motor with the help of a damper winding and it pulls into synchronism under certain conditions. The present paper exactly concentrates on this particular zone of transition from induction motor to synchronous motor mode for a curre...

  1. THE EFFECT OF SIZE FACTOR ON THE PHASE TRANSITION IN Sn2P2S6 CRYSTALS: EXPERIMENTAL DATA AND SIMULATION IN ANNNI MODEL

    Directory of Open Access Journals (Sweden)

    A.V.Drobnich

    2003-01-01

    Full Text Available Size effect on the fundamental properties of Sn2P2S6 ferroelectric is studied. The decrease of Raman peak frequency, accompanied by the band broadening and asymmetry, is observed in the spectra of microcrystalline Sn2P2S6 powder. Theoretical calculations, performed in the ANNNI model for Sn2P2S6 microcrystals of different size, predict the decrease of the ferroelectric phase transition temperature with the decrease of the microcrystal size parameter.

  2. Simulation modeling of carcinogenesis.

    Science.gov (United States)

    Ellwein, L B; Cohen, S M

    1992-03-01

    A discrete-time simulation model of carcinogenesis is described mathematically using recursive relationships between time-varying model variables. The dynamics of cellular behavior is represented within a biological framework that encompasses two irreversible and heritable genetic changes. Empirical data and biological supposition dealing with both control and experimental animal groups are used together to establish values for model input variables. The estimation of these variables is integral to the simulation process as described in step-by-step detail. Hepatocarcinogenesis in male F344 rats provides the basis for seven modeling scenarios which illustrate the complexity of relationships among cell proliferation, genotoxicity, and tumor risk.

  3. Modeling and Simulation of Current Source Inverter Fed Synchronous Motor in Complex Frequency Domain Taking the Transition Zone From Induction Motor to Synchronous Motor Mode into Account

    Directory of Open Access Journals (Sweden)

    A.B. Chattopadhyay

    2014-02-01

    Full Text Available Modeling of synchronous motor plays a dominant role in designing complicated drive system for different applications, especially large blower fans etc for steel industries. As synchronous motor has no inherent starting torque generally it is started as an induction motor with the help of a damper winding and it pulls into synchronism under certain conditions. The present paper exactly concentrates on this particular zone of transition from induction motor to synchronous motor mode for a current source inverter fed synchronous motor drive system. Due to complexity of synchronous motor in terms of number of windings and finite amount of air gap saliency, direct modeling of such transition zone in time domain becomes cumbersome at the first instance of modeling. That is why the modeling in complex frequency domain (s-domain has been taken up using small perturbation model. Such a model clearly shows role of induction motor as noise function or disturbance function with respect to the open loop block diagram of synchronous motor. Such finding can be quantized in terms of important results and that is done in the present paper such that the results can help the designer for the successful design of a synchronous motor drive system.

  4. Simulation of molecular transitions using classical trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, A.; Martens, C. C. [University of California, California (United States)

    2001-03-01

    In the present work, we describe the implementation of a semiclassical method to study physical-chemical processes in molecular systems where electronic state transitions and quantum coherence play a dominant role. The method is based on classical trajectory propagation on the underlying coupled electronic surfaces and is derived from the semiclassical limit of the quantum Liouville equation. Unlike previous classical trajectory-based methods, quantum electronic coherence are treated naturally within this approach as complex weighted trajectory ensembles propagating on the average electronic surfaces. The method is tested on a model problem consisting of one-dimensional motion on two crossing electronic surfaces. Excellent agreement is obtained when compared to the exact results obtained by wave packet propagation. The method is applied to model quantum wave packet interferometry, where two wave packets, differing only in a relative phase, collide in the region where the two electronic surfaces cross. The dependence of the resulting population transfer on the initial relative phase of the wave packets is perfectly captured by our classical trajectory method. Comparison with an alternative method, surface hopping, shows that our approach is appropriate for modelling quantum interference phenomena. [Spanish] En este trabajo se describe la implementacion de un metodo semiclasico para estudiar procesos fisicos-quimicos en sistemas moleculares donde las transiciones entre estados electronicos y las coherencias cuanticas juegan un papel predominante. El metodo se basa en la propagacion de trayectorias clasicas sobre las correspondientes superficies electronicas acopladas y se deriva a partir del limite semiclasico de la ecuacion cuantica de Liouville. A diferencia de metodos previos basados en trayectoria clasica, dentro de este esquema, las coherencias electronicas cuanticas son tratadas de manera natural como ensamble de trayectorias con pesos complejos, moviendose en

  5. Multicanonical simulation of biomolecules and microcanonical statistical analysis of conformational transitions

    Science.gov (United States)

    Bachmann, Michael

    2013-05-01

    The simulation of biomolecular structural transitions such as folding and aggregation does not only require adequate models that reflect the key aspects of the cooperative transition behaviour. It is likewise important to employ thermodynamically correct simulation methods and to perform an accurate subsequent statistical analysis of the data obtained in the simulation. The efficient combination of methodology and analysis can be quite sophisticated, but also very instructive in their feedback to a better understanding of the physics of the underlying cooperative processes that drive the conformational transition. We here show that the density of states, which is the central result of multicanonical sampling and any other generalized-ensemble simulation, serves as the optimal basis for the microcanonical statistical analysis of transitions. The microcanonical inflection-point analysis method, which has been introduced for this purpose recently, is a perfect tool for a precise, unique identification and classification of all structural transitions.

  6. Statistics-based investigation on typhoon transition modeling

    DEFF Research Database (Denmark)

    Zhang, Shuoyun; Nishijima, Kazuyoshi

    and the seasonality are taken into account by developing the models for different spatial grids and seasons separately. An appropriate size of spatial grids is investigated. The statistical characteristics of the random residual terms in the models are also examined. Finally, Monte Carlo simulations are performed......The present study revisits the statistical modeling of typhoon transition. The objective of the study is to provide insights on plausible statistical typhoon transition models based on extensive statistical analysis. First, the correlation structures of the typhoon transition are estimated in terms...

  7. Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, part II: extension to describe performance of solid dosage forms.

    Science.gov (United States)

    Thelen, Kirstin; Coboeken, Katrin; Willmann, Stefan; Dressman, Jennifer B; Lippert, Jörg

    2012-03-01

    The physiological absorption model presented in part I of this work is now extended to account for dosage-form-dependent gastrointestinal (GI) transit as well as disintegration and dissolution processes of various immediate-release and modified-release dosage forms. Empirical functions of the Weibull type were fitted to experimental in vitro dissolution profiles of solid dosage forms for eight test compounds (aciclovir, caffeine, cimetidine, diclofenac, furosemide, paracetamol, phenobarbital, and theophylline). The Weibull functions were then implemented into the model to predict mean plasma concentration-time profiles of the various dosage forms. On the basis of these dissolution functions, pharmacokinetics (PK) of six model drugs was predicted well. In the case of diclofenac, deviations between predicted and observed plasma concentrations were attributable to the large variability in gastric emptying time of the enteric-coated tablets. Likewise, oral PK of furosemide was found to be predominantly governed by the gastric emptying patterns. It is concluded that the revised model for GI transit and absorption was successfully integrated with dissolution functions of the Weibull type, enabling prediction of in vivo PK profiles from in vitro dissolution data. It facilitates a comparative analysis of the parameters contributing to oral drug absorption and is thus a powerful tool for formulation design.

  8. Quantum Monte Carlo simulation of topological phase transitions

    Science.gov (United States)

    Yamamoto, Arata; Kimura, Taro

    2016-12-01

    We study the electron-electron interaction effects on topological phase transitions by the ab initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.

  9. Quantum Monte Carlo simulation of topological phase transitions

    CERN Document Server

    Yamamoto, Arata

    2016-01-01

    We study the electron-electron interaction effects on topological phase transitions by the ab-initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.

  10. Modelling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Casetti, E.; Vogt, W.G.; Mickle, M.H.

    1984-01-01

    This conference includes papers on the uses of supercomputers, multiprocessors, artificial intelligence and expert systems in various energy applications. Topics considered include knowledge-based expert systems for power engineering, a solar air conditioning laboratory computer system, multivariable control systems, the impact of power system disturbances on computer systems, simulating shared-memory parallel computers, real-time image processing with multiprocessors, and network modeling and simulation of greenhouse solar systems.

  11. Validation of simulation models

    DEFF Research Database (Denmark)

    Rehman, Muniza; Pedersen, Stig Andur

    2012-01-01

    In philosophy of science, the interest for computational models and simulations has increased heavily during the past decades. Different positions regarding the validity of models have emerged but the views have not succeeded in capturing the diversity of validation methods. The wide variety...... of models has been somewhat narrow-minded reducing the notion of validation to establishment of truth. This article puts forward the diversity in applications of simulation models that demands a corresponding diversity in the notion of validation....... of models with regards to their purpose, character, field of application and time dimension inherently calls for a similar diversity in validation approaches. A classification of models in terms of the mentioned elements is presented and used to shed light on possible types of validation leading...

  12. A simulation of the Neolithic transition in Western Eurasia

    CERN Document Server

    Lemmen, Carsten; Wirtz, Kai W

    2011-01-01

    Farming and herding were introduced to Europe from the Near East and Anatolia; there are, however, considerable arguments about the mechanisms of this transition. Were it people who moved and outplaced the indigenous hunter- gatherer groups or admixed with them? Or was it just material and information that moved-the Neolithic Package-consisting of domesticated plants and animals and the knowledge of its use? The latter process is commonly referred to as cultural diffusion and the former as demic diffusion. Despite continuous and partly combined efforts by archaeologists, anthropologists, linguists, paleontologists and geneticists a final resolution of the debate has not yet been reached. In the present contribution we interpret results from the Global Land Use and technological Evolution Simulator (GLUES), a mathematical model for regional sociocultural development embedded in the western Eurasian geoenvironmental context during the Holocene. We demonstrate that the model is able to realistically hindcast the...

  13. Application of renormalization group theory to the large-eddy simulation of transitional boundary layers

    Science.gov (United States)

    Piomelli, Ugo; Zang, Thomas A.; Speziale, Charles G.; Lund, Thomas S.

    1990-01-01

    An eddy viscosity model based on the renormalization group theory of Yakhot and Orszag (1986) is applied to the large-eddy simulation of transition in a flat-plate boundary layer. The simulation predicts with satisfactory accuracy the mean velocity and Reynolds stress profiles, as well as the development of the important scales of motion. The evolution of the structures characteristic of the nonlinear stages of transition is also predicted reasonably well.

  14. Molecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain

    NARCIS (Netherlands)

    Periole, Xavier; Vendruscolo, Michele; Mark, Alan E.

    2007-01-01

    A series of molecular dynamics simulations in explicit solvent were started from nine structural models of the transition state of the SH3 domain of alpha-spectrin, which were generated by Lindorff Larsen et al. (Nat Struct Mol Biol 2004;11:443-449) using molecular dynamics simulations in which expe

  15. Comparison of approximations to the transition rate in the DDHMS preequilibrium model

    Energy Technology Data Exchange (ETDEWEB)

    Brito, L.; Carlson, B.V., E-mail: britoluc@ita.br [Instituto Tecnologia de Aeronautica (ITA), Sao Jose dos Campos, SP (Brazil)

    2014-07-01

    The double differential hybrid Monte Carlo simulation model (DDHMS) originally used exciton model densities and transition densities with approximate angular distributions obtained using linear momentum conservation. Because the model uses only the simplest transition rates, calculations using more complex approximations to these are still viable. We compare calculations using the original approximation to one using a nonrelativistic Fermi gas transition densities with the approximate angular distributions and with exact nonrelativistic and relativistic transition transition densities. (author)

  16. Simulation of transition dynamics to high confinement in fusion plasmas

    CERN Document Server

    Nielsen, A H; Madsen, J; Naulin, V; Rasmussen, J Juul; Wan, B N

    2014-01-01

    The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in close agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particularly, the slow transition with an intermediate dithering phase is well reproduced by the numerical solutions. Additionally, the model reproduces the experimentally determined L-H transition power threshold scaling that the ion power threshold increases with increasing particle density. The results hold promise for developing predictive models of the transition, essential for understanding and optimizing future fusion power reactors.

  17. Molecular Dynamics Simulations of a Pressure-induced Glass Transition

    CERN Document Server

    Shumway, S L; Jonsson, H; Shumway, Shelly L.; Clarke, Andrew S.

    1994-01-01

    We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure, undergoing a broadened transition into a structurally arrested, amorphous state. This transition, like the more familiar one induced by cooling, is correlated with a significant increase in icosahedral ordering. In fact, the structure of the final state, as measured by an analysis of the bonding, is essentially the same in the glassy, frozen state whether produced by squeezing or by cooling under pressure. We have computed an effective hard-sphere packing fraction at the transition, defining the transition pressure or temperature by a cutoff in the diffusion constant, analogous to the traditional laboratory definition of the glass transition by an arbitrary, low cutoff in viscosity. The packing fraction at this transition point is not constant, but is consistently higher for runs c...

  18. Classical trajectory simulations of post-transition state dynamics

    Science.gov (United States)

    Lourderaj, Upakarasamy; Park, Kyoyeon; Hase, William L.

    Classical chemical dynamics simulations of post-transition state dynamics are reviewed. Most of the simulations involve direct dynamics for which the potential energy and gradient are obtained directly from an electronic structure theory. The chemical reaction attributes and chemical systems presented are product energy partitioning for Cl- ··· CH3Br → ClCH3 + Br- and C2H5F → C2H4 + HF dissociation, non-RRKM dynamics for cyclopropane stereomutation and the Cl- ··· CH3Cl complexes mediating the Cl- + CH3Cl SN2 nucleophilic substitution reaction, and non-IRC dynamics for the OH- + CH3F and F- + CH3OOH chemical reactions. These studies illustrate the important role of chemical dynamics simulations in understanding atomic-level reaction dynamics and interpreting experiments. They also show that widely used paradigms and model theories for interpreting reaction kinetics and dynamics are often inaccurate and are not applicable.

  19. Quantum-based Atomistic Simulation of Transition Metals

    Energy Technology Data Exchange (ETDEWEB)

    Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H

    2005-08-29

    First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials.

  20. Modelling socio-technical transition patterns and pathways

    NARCIS (Netherlands)

    N. Bergman (Noam); A. Haxeltine (Alex); L. Whitmarsh (Lorraine); J. Köhler (Jonathan); M.P. Schilperoord (Michel); J. Rotmans (Jan)

    2008-01-01

    textabstractWe report on research that is developing a simulation model for assessing systemic innovations, or 'transitions', of societal systems towards a more sustainable development. Our overall aim is to outline design principles for models that can offer new insights into tackling persistent

  1. Structural Modeling of Epoxy Resin and Simulation Calculation of Glass Transition Temperature%环氧树脂结构建模及玻璃化转变温度模拟计算

    Institute of Scientific and Technical Information of China (English)

    杜灵根; 焦丕玉; 王晓梅

    2012-01-01

    基于COMPASS分子力场,利用分子动力学模拟方法和Materials Studio软件建立了低固化度交联耦合的双酚A型环氧树脂交联结构模型,并利用环氧树脂交联体系模型模拟计算了交联环氧树脂的玻璃化转变温度.结果表明:计算得到的玻璃化转变温度与实验数据吻合较好,表明分子模拟方法可以应用于复杂聚合物体系结构与性质的研究中.%Based on COMPASS molecular field, a bisphenol-A cpoxy resin cross-linking structure model with low degree of curing was built using molecular dynamic simulation method (MD) and Materials Studio software. And the glass transition temperature (T8) of the cross-linking epoxy resin was calculated by simulating the cross-linking epoxy resin model. The results show that the calculated glass transition temperature coincides with the experimental result, which indicates that the molecular simulation method can be used to study the structure and properties of complex polymer.

  2. Corner wetting transition in the two-dimensional Ising model

    Science.gov (United States)

    Lipowski, Adam

    1998-07-01

    We study the interfacial behavior of the two-dimensional Ising model at the corner of weakened bonds. Monte Carlo simulations results show that the interface is pinned to the corner at a lower temperature than a certain temperature Tcw at which it undergoes a corner wetting transition. The temperature Tcw is substantially lower than the temperature of the ordinary wetting transition with a line of weakened bonds. A solid-on-solid-like model is proposed, which provides a supplementary description of the corner wetting transition.

  3. The phase transition of Axelrod's model revisited

    CERN Document Server

    Reia, Sandro M

    2016-01-01

    Axelrod's model with $F=2$ cultural features, where each feature can assume $k$ states drawn from a Poisson distribution of parameter $q$, exhibits a continuous nonequilibrium phase transition in the square lattice. Here we use extensive Monte Carlo simulations and finite size scaling to study the critical behavior of the order parameter $\\rho$, which is the fraction of sites that belong to the largest domain of an absorbing configuration averaged over many runs. We find that it vanishes as $\\rho \\sim \\left (q_c^0 - q \\right)^\\beta$ with $\\beta \\approx 0.25$ at the critical point $q_c^0 \\approx 3.10$ and that the exponent that measures the width of the critical region is $\

  4. Improved transition path sampling methods for simulation of rare events.

    Science.gov (United States)

    Chopra, Manan; Malshe, Rohit; Reddy, Allam S; de Pablo, J J

    2008-04-14

    The free energy surfaces of a wide variety of systems encountered in physics, chemistry, and biology are characterized by the existence of deep minima separated by numerous barriers. One of the central aims of recent research in computational chemistry and physics has been to determine how transitions occur between deep local minima on rugged free energy landscapes, and transition path sampling (TPS) Monte-Carlo methods have emerged as an effective means for numerical investigation of such transitions. Many of the shortcomings of TPS-like approaches generally stem from their high computational demands. Two new algorithms are presented in this work that improve the efficiency of TPS simulations. The first algorithm uses biased shooting moves to render the sampling of reactive trajectories more efficient. The second algorithm is shown to substantially improve the accuracy of the transition state ensemble by introducing a subset of local transition path simulations in the transition state. The system considered in this work consists of a two-dimensional rough energy surface that is representative of numerous systems encountered in applications. When taken together, these algorithms provide gains in efficiency of over two orders of magnitude when compared to traditional TPS simulations.

  5. Molecular Dynamics Simulation of Glass Transition Behavior of Polyimide Ensemble

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The effect of chromophores to the glass transition temperature of polyimide ensemble has been investigated by means of molecular dynamics simulation in conjunction with barrier analysis. Simulated Tg results indicated a good agreement with experimental value. This study showed the MD simulation could estimate the effect of chromophores to the Tg of polyimide ensemble conveniently and an estimation approach method had a surprising deviation of Tg from experiment. At the same time, a polyimide structure with higher barrier energy was designed and validated by MD simulation.

  6. WRF-Chem simulations in the Amazon region during wet and dry season transitions: evaluation of methane models and wetland inundation maps

    Directory of Open Access Journals (Sweden)

    V. Beck

    2013-08-01

    Full Text Available The Amazon region, being a large source of methane (CH4, contributes significantly to the global annual CH4 budget. For the first time, a forward and inverse modelling framework on regional scale for the purpose of assessing the CH4 budget of the Amazon region is implemented. Here, we present forward simulations of CH4 as part of the forward and inverse modelling framework based on a modified version of the Weather Research and Forecasting model with chemistry that allows for passive tracer transport of CH4, carbon monoxide, and carbon dioxide (WRF-GHG, in combination with two different process-based bottom-up models of CH4 emissions from anaerobic microbial production in wetlands and additional datasets prescribing CH4 emissions from other sources such as biomass burning, termites, or other anthropogenic emissions. We compare WRF-GHG simulations on 10 km horizontal resolution to flask and continuous CH4 observations obtained during two airborne measurement campaigns within the Balanço Atmosférico Regional de Carbono na Amazônia (BARCA project in November 2008 and May 2009. In addition, three different wetland inundation maps, prescribing the fraction of inundated area per grid cell, are evaluated. Our results indicate that the wetland inundation maps based on remote-sensing data represent the observations best except for the northern part of the Amazon basin and the Manaus area. WRF-GHG was able to represent the observed CH4 mixing ratios best at days with less convective activity. After adjusting wetland emissions to match the averaged observed mixing ratios of flights with little convective activity, the monthly CH4 budget for the Amazon basin obtained from four different simulations ranges from 1.5 to 4.8 Tg for November 2008 and from 1.3 to 5.5 Tg for May 2009. This corresponds to an average CH4 flux of 9–31 mg m−2 d−1 for November 2008 and 8–36 mg m−2 d−1 for May 2009.

  7. Characterizing Transiting Planets with JWST Spectra: Simulations and Retrievals

    Science.gov (United States)

    Greene, Tom; Line, Michael; Fortney, Jonathan

    2015-01-01

    There are now well over a thousand confirmed exoplanets, ranging from hot to cold and large to small worlds. JWST spectra will provide much more detailed information on the molecular constituents, chemical compositions, and thermal properties of the atmospheres of transiting planets than is now known. We explore this by modeling clear, cloudy,and high mean molecular weight atmospheres of typical hot Jupiter, warm Neptune, warm sub-Neptune, and cool super-Earth planets and then simulating their JWST transmission and emission spectra. These simulations were performed for several JWST instrument modes over 1 - 11 microns and incorporate realistic signal and noise components. We then performed state-of the art retrievals to determine how well temperatures and abundances (CO, CO2, H2O, NH3) will be constrained and over what pressures for these different planet types. Using these results, we appraise what instrument modes will be most useful for determining what properties of the different planets, and we assess how well we can constrain their compositions, CO ratios, and temperature profiles.

  8. WRF-Chem simulations in the Amazon region during wet and dry season transitions: evaluation of methane models and wetland inundation maps

    Directory of Open Access Journals (Sweden)

    V. Beck

    2012-09-01

    Full Text Available The Amazon region as a large source of methane (CH4 contributes significantly to the global annual CH4 budget. For the first time in the Amazon region, a forward and inverse modelling framework on regional scale for the purpose of assessing the CH4 budget of the Amazon region is implemented. Here, we present forward simulations of CH4 based on a modified version of the Weather Research and Forecasting model with chemistry that allows for passive tracer transport of CH4, carbon monoxide, and carbon dioxide (WRF-GHG, in combination with two different process-based bottom-up models of CH4 emissions from anaerobic microbial production in wetlands and additional datasets prescribing CH4 emissions from other sources such as biomass burning, termites, or other anthropogenic emissions. We compare WRF-GHG simulations on 10 km horizontal resolution to flask and continuous CH4 observations obtained during two airborne measurement campaigns within the Balanço Atmosférico Regional de Carbono na Amazônia (BARCA project in November 2008 and May 2009. In addition, three different wetland inundation maps, prescribing the fraction of inundated area per grid cell, are evaluated. Our results indicate that the wetland inundation map with inundated area changing in time represents the observations best except for the northern part of the Amazon basin and the Manaus area. WRF-GHG was able to represent the observed CH4 mixing ratios best at days with less convective activity. After adjusting wetland emissions to match the averaged observed mixing ratios of flights with little convective activity, the monthly CH4 budget of the Amazon lowland region obtained from four different simulations ranges from 1.5 to 4.8 Tg for November 2008 and from 1.3 to 5.5 Tg for May 2009. This corresponds to an average CH4 flux of 9–31 mg m−2 d−1

  9. A new yield simulator for transiting planets and false positives: application to the Next Generation Transit Survey

    Science.gov (United States)

    Günther, Maximilian N.; Queloz, Didier; Demory, Brice-Olivier; Bouchy, Francois

    2017-03-01

    We present a yield simulator to predict the number and characteristics of planets, false positives and false alarms in transit surveys. The simulator is based on a galactic model and the planet occurrence rates measured by the Kepler mission. It takes into account the observation window function and measured noise levels of the investigated survey. Additionally, it includes vetting criteria to identify false positives. We apply this simulator to the Next Generation Transit Survey (NGTS), a wide-field survey designed to detect transiting Neptune-sized exoplanets. We find that red noise is the main limitation of NGTS up to 14 mag, and that its obtained level determines the expected yield. Assuming a red noise level of 1 mmag, the simulation predicts the following for a 4-yr survey: 4 ± 3 Super-Earths, 19 ± 5 Small Neptunes, 16 ± 4 Large Neptunes, 55 ± 8 Saturn-sized planets and 150 ± 10 Jupiter-sized planets, along with 4688 ± 45 eclipsing binaries and 843 ± 75 background eclipsing binaries. We characterize the properties of these objects to enhance the early identification of false positives and discuss follow-up strategies for transiting candidates.

  10. Wake modeling and simulation

    DEFF Research Database (Denmark)

    Larsen, Gunner Chr.; Madsen Aagaard, Helge; Larsen, Torben J.;

    , have the potential to include also mutual wake interaction phenomenons. The basic conjecture behind the dynamic wake meandering (DWM) model is that wake transportation in the atmospheric boundary layer is driven by the large scale lateral- and vertical turbulence components. Based on this conjecture...... and trailed vorticity, has been approached by a simple semi-empirical model essentially based on an eddy viscosity philosophy. Contrary to previous attempts to model wake loading, the DWM approach opens for a unifying description in the sense that turbine power- and load aspects can be treated simultaneously...... methodology has been implemented in the aeroelastic code HAWC2, and example simulations of wake situations, from the small Tjæreborg wind farm, have been performed showing satisfactory agreement between predictions and measurements...

  11. A MATLAB GUI to study Ising model phase transition

    Science.gov (United States)

    Thornton, Curtislee; Datta, Trinanjan

    We have created a MATLAB based graphical user interface (GUI) that simulates the single spin flip Metropolis Monte Carlo algorithm. The GUI has the capability to study temperature and external magnetic field dependence of magnetization, susceptibility, and equilibration behavior of the nearest-neighbor square lattice Ising model. Since the Ising model is a canonical system to study phase transition, the GUI can be used both for teaching and research purposes. The presence of a Monte Carlo code in a GUI format allows easy visualization of the simulation in real time and provides an attractive way to teach the concept of thermal phase transition and critical phenomena. We will also discuss the GUI implementation to study phase transition in a classical spin ice model on the pyrochlore lattice.

  12. Atomistic simulation of fcc-bcc phase transition in single crystal A1 under uniform compression

    Institute of Scientific and Technical Information of China (English)

    Li Li; Shao Jian-Li; Li Yan-Fang; Duan Su-Qing; [ Liang Jiu-Qing

    2012-01-01

    By molecular dynamics simulations employing an embedded atom model potential,we investigate the fcc-to-bcc phase transition in single crystal Al,caused by uniform compression.Results show that the fec structure is unstable when the pressure is over 250 GPa,in reasonable agreement with the calculated value through the density functional theory.The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail.The bec (011) planes are transited from the fcc (11(1)) plane and the (1(1)1) plane.We suggest that the transition mechanism consists mainly of compression,shear,slid and rotation of the lattice.In addition,our radial distribution function analysis explicitly indicates the phase transition of A1 from fcc phase to bcc structure.

  13. Linearity and Misspecification Tests for Vector Smooth Transition Regression Models

    DEFF Research Database (Denmark)

    Teräsvirta, Timo; Yang, Yukai

    The purpose of the paper is to derive Lagrange multiplier and Lagrange multiplier type specification and misspecification tests for vector smooth transition regression models. We report results from simulation studies in which the size and power properties of the proposed asymptotic tests in small...

  14. Deepwater gas kick simulation with consideration of the gas hydrate phase tran-sition

    Institute of Scientific and Technical Information of China (English)

    王志远; 孙宝江

    2014-01-01

    The hydrate phase transition presents new problems and challenges for the deepwater well control in the drilling processes. A simulation model is built for deepwater gas kicks with consideration of the hydrate phase transition. The model is based on the multiphase flow governing equations and the hydrate phase transition calculation equations. The influence of the hydrate phase tran-sition on the gas kick hydraulics is investigated through numerical simulations. It is shown that the diameter of the gas bubbles can significantly influence the hydrate phase transition effect. The influence of the hydrate phase transition on the gas kick hydraulics in-creases with the decrease of the average gas bubble diameter. The hydrate phase transition adds a“hidden”nature for the well kick in deepwater and hinders the early detection of the gas kick. The influence of the hydrate phase transition on the gas kick hydraulics is also studied in the case when the hydrate inhibitor is added to the drilling fluid.

  15. Simulation of transition dynamics to high confinement in fusion plasmas

    DEFF Research Database (Denmark)

    Nielsen, Anders Henry; Xu, G. S.; Madsen, Jens;

    2015-01-01

    The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particula......The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST....... Particularly, the slow transition with an intermediate dithering phase is well reproduced at proper parameters. The model recovers the power threshold for the L-H transition as well as the decrease in power threshold switching from single to double null configuration observed experimentally. The results...

  16. A Prison/Parole System Simulation Model,

    Science.gov (United States)

    parole system on future prison and parole populations. A simulation model is presented, viewing a prison / parole system as a feedback process for...ciminal offenders . Transitions among the states in which an offender might be located, imprisoned, paroled , and discharged, are assumed to be in...accordance with a discrete time semi-Markov process. Projected prison and parole populations for sample data and applications of the model are discussed. (Author)

  17. In situ and in-transit analysis of cosmological simulations

    Science.gov (United States)

    Friesen, Brian; Almgren, Ann; Lukić, Zarija; Weber, Gunther; Morozov, Dmitriy; Beckner, Vincent; Day, Marcus

    2016-08-01

    Modern cosmological simulations have reached the trillion-element scale, rendering data storage and subsequent analysis formidable tasks. To address this circumstance, we present a new MPI-parallel approach for analysis of simulation data while the simulation runs, as an alternative to the traditional workflow consisting of periodically saving large data sets to disk for subsequent `offline' analysis. We demonstrate this approach in the compressible gasdynamics/ N-body code Nyx, a hybrid MPI+OpenMP code based on the BoxLib framework, used for large-scale cosmological simulations. We have enabled on-the-fly workflows in two different ways: one is a straightforward approach consisting of all MPI processes periodically halting the main simulation and analyzing each component of data that they own (` in situ'). The other consists of partitioning processes into disjoint MPI groups, with one performing the simulation and periodically sending data to the other `sidecar' group, which post-processes it while the simulation continues (`in-transit'). The two groups execute their tasks asynchronously, stopping only to synchronize when a new set of simulation data needs to be analyzed. For both the in situ and in-transit approaches, we experiment with two different analysis suites with distinct performance behavior: one which finds dark matter halos in the simulation using merge trees to calculate the mass contained within iso-density contours, and another which calculates probability distribution functions and power spectra of various fields in the simulation. Both are common analysis tasks for cosmology, and both result in summary statistics significantly smaller than the original data set. We study the behavior of each type of analysis in each workflow in order to determine the optimal configuration for the different data analysis algorithms.

  18. Using Transiting Planets to Model Starspot Evolution

    CERN Document Server

    Davenport, James R A; Hawley, Suzanne L

    2014-01-01

    Photometry from Kepler has revealed the presence of cool starspots on the surfaces of thousands of stars, presenting a wide range of spot morphologies and lifetimes. Understanding the lifetime and evolution of starspots across the main sequence reveals critical information about the strength and nature of stellar dynamos. We probe the dynamo by modeling the starspot properties over time using Kepler light curves. In particular, we use planetary systems like Kepler 17 that show in-transit starspot crossing features. Spot-occulting transits probe smaller-scale starspot features on the stellar surface along a fixed latitude region. Our approach is novel in modeling both the in- and out-of transit light curve features, allowing us to break fundamental degeneracies between spot size, latitude, and contrast. With continuous monitoring from Kepler we are able to observe small changes in the positions and sizes of spots from many transits, spanning 4 years of data. Additionally, for stars without transiting planets l...

  19. Modeling Network Transition Constraints with Hypergraphs

    DEFF Research Database (Denmark)

    Harrod, Steven

    2011-01-01

    Discrete time dynamic graphs are frequently used to model multicommodity flows or activity paths through constrained resources, but simple graphs fail to capture the interaction effects of resource transitions. The resulting schedules are not operationally feasible, and return inflated objective...

  20. 多式综合公交系统线网布局优化模型及仿真%Network layout optimization model of multi-modal comprehensive public transit system and simulation

    Institute of Scientific and Technical Information of China (English)

    周高卫; 罗霞

    2013-01-01

    结合综合公交中各式公交的适应性和服务阈值,兼顾出行者不同出行目的时间价值敏感性,建立了综合公交系统线网布局双层优化模型,上层是O-1数学规划模型,下层是用户平衡分配模型.同时,基于改进的IOA进行优化求解,克服了传统单式线网优化层次化不显著的缺陷,提高了布局优化过程求解效率.算例仿真结果表明:综合公交系统需求多样性在客观上决定综合公交系统线网的多元性和层次性,线网布局优化需考虑不同出行目的的时间价值特性,以提升系统速度和能力的连续性.同时,基于改进的IOA在多式综合公交系统线网布局优化的巨大搜索空间中可靠便捷地找到近似最优解,提高了计算效率.%In combination of the different transit mode' s adaptability and service threshold of the multi-modal comprehensive public transit system,this paper established the layout bi-level optimization model of comprehensive transit system, giving attention to the time value sensitivity of different trip purposes. The upper model was 0-1 mathematics programming model, while the lower model was the user equilibrium assignment model. Besides, this paper proposed solving algorithm based on the improved IOA, it adopted above algorithm to find solution of model which overcame the defects of lack of significant hierarchy and the consubstantial trend of traditional single mode network optimization and it improved the solving effect as well. Example simulation result shows that the diversity of comprehensive transit system demand objectively determines its network hierarchy and pluralism and the network layout optimization should consider different time value to improve the system speed and capacity continuity. The improved IOA can find the approximate best result in the huge search space of optimization, while greatly increases the computational efficiency.

  1. Preparations, models, and simulations.

    Science.gov (United States)

    Rheinberger, Hans-Jörg

    2015-01-01

    This paper proposes an outline for a typology of the different forms that scientific objects can take in the life sciences. The first section discusses preparations (or specimens)--a form of scientific object that accompanied the development of modern biology in different guises from the seventeenth century to the present: as anatomical-morphological specimens, as microscopic cuts, and as biochemical preparations. In the second section, the characteristics of models in biology are discussed. They became prominent from the end of the nineteenth century onwards. Some remarks on the role of simulations--characterising the life sciences of the turn from the twentieth to the twenty-first century--conclude the paper.

  2. 具有人口转变与人力资本的经济增长模型及仿真%An Economic Growth Model with the Demographic Transitions,Human Capital and Simulation

    Institute of Scientific and Technical Information of China (English)

    蔡东汉

    2011-01-01

    In this paper, we set up a model to inquire the affection of the demographic transition and human capital on the economic growth.Combining the function which describes the population change in the period of the demographic transition and the human growth equation with the Solow model, we obtain a two-dimension dynamical system.It is proved that the dynamical system has at least one equilibrium and the solution of the dynamical system is asymptotically stable, so the economy described by the model has stable growth path when the equilibrium is unique.In the end, the numerical simulation is given to present the affections of the demographic transition and human capital on the economic growth.%建立数学模型探讨了人口转变与人力资本对经济增长的影响.将描述人口转变的倒U字型人口增长率函数和人均人力资本引入Solow模型,结合人均人力资本增长方程得到二维的动力系统.证明动力系统至少存在一个非零平衡点且当非零平衡点惟一时,动力系统的解是渐近稳定的,模型描述的经济具有渐近稳定的经济增长路径.通过数值仿真展现人口转变与人力资本对经济增长的影响.

  3. On simulated annealing phase transitions in phylogeny reconstruction.

    Science.gov (United States)

    Strobl, Maximilian A R; Barker, Daniel

    2016-08-01

    Phylogeny reconstruction with global criteria is NP-complete or NP-hard, hence in general requires a heuristic search. We investigate the powerful, physically inspired, general-purpose heuristic simulated annealing, applied to phylogeny reconstruction. Simulated annealing mimics the physical process of annealing, where a liquid is gently cooled to form a crystal. During the search, periods of elevated specific heat occur, analogous to physical phase transitions. These simulated annealing phase transitions play a crucial role in the outcome of the search. Nevertheless, they have received comparably little attention, for phylogeny or other optimisation problems. We analyse simulated annealing phase transitions during searches for the optimal phylogenetic tree for 34 real-world multiple alignments. In the same way in which melting temperatures differ between materials, we observe distinct specific heat profiles for each input file. We propose this reflects differences in the search landscape and can serve as a measure for problem difficulty and for suitability of the algorithm's parameters. We discuss application in algorithmic optimisation and as a diagnostic to assess parameterisation before computationally costly, large phylogeny reconstructions are launched. Whilst the focus here lies on phylogeny reconstruction under maximum parsimony, it is plausible that our results are more widely applicable to optimisation procedures in science and industry.

  4. Sabin-to-Mahoney Transition Model of Quasispecies Replication

    Energy Technology Data Exchange (ETDEWEB)

    2009-05-31

    Qspp is an agent-based stochastic simulation model of the Poliovirus Sabin-to-Mahoney transition. This code simulates a cell-to-cell model of Poliovirus replication. The model tracks genotypes (virus genomes) as they are replicated in cells, and as the cells burst and release particles into the medium of a culture dish. An inoculum is then taken from the pool of virions and is used to inoculate cells on a new dish. This process repeats. The Sabin genotype comprises the initial inoculum. Nucleotide positions that match the Sabin1 (vaccine strain) and Mahoney (wild type) genotypes, as well as the neurovirulent phenotype (from the literature) are enumerated as constants.

  5. Boundary conditions and phase transitions in neural networks. Simulation results.

    Science.gov (United States)

    Demongeot, Jacques; Sené, Sylvain

    2008-09-01

    This paper gives new simulation results on the asymptotic behaviour of theoretical neural networks on Z and Z(2) following an extended Hopfield law. It specifically focuses on the influence of fixed boundary conditions on such networks. First, we will generalise the theoretical results already obtained for attractive networks in one dimension to more complicated neural networks. Then, we will focus on two-dimensional neural networks. Theoretical results have already been found for the nearest neighbours Ising model in 2D with translation-invariant local isotropic interactions. We will detail what happens for this kind of interaction in neural networks and we will also focus on more complicated interactions, i.e., interactions that are not local, neither isotropic, nor translation-invariant. For all these kinds of interactions, we will show that fixed boundary conditions have significant impacts on the asymptotic behaviour of such networks. These impacts result in the emergence of phase transitions whose geometric shape will be numerically characterised.

  6. A New Yield Simulator for Transiting Planets and False Positives: Application to the Next Generation Transit Survey

    CERN Document Server

    Günther, Maximilian N; Demory, Brice-Olivier; Bouchy, Francois

    2016-01-01

    We present a yield simulator to predict the number and characteristics of planets, false positives and false alarms in transit surveys. The simulator is based on a galactic model and the planet occurrence rates measured by the Kepler mission. It takes into account the observation window function and measured noise levels of the investigated survey. Additionally, it includes vetting criteria to identify false positives. We apply this simulator to the Next Generation Transit Survey (NGTS), a wide-field survey designed to detect transiting Neptune-sized exoplanets. We find that red noise is the main limitation of NGTS up to 14th magnitude, and that its obtained level determines the expected yield. Assuming a red noise level of 1 mmag, the simulation predicts the following for a four-year survey: 4+-3 Super-Earths, 19+-5 Small Neptunes, 16+-4 Large Neptunes, 55+-8 Saturn-sized planets and 150+-10 Jupiter-sized planets, along with 4688+-45 eclipsing binaries and 843+-75 background eclipsing binaries. We characteri...

  7. A simple model for /f-->d transitions of rare-earth ions in crystals

    Science.gov (United States)

    Duan, C. K.; Reid, M. F.

    2003-02-01

    Theoretical simulation and interpretation of f→ d transitions of rare earth ions in crystals are more difficult than for f→ f transitions, because f→ d transitions involve many more energy levels and are further complicated by strong vibronic transitions, so the experimental spectra contain many fewer resolvable peaks. In order to better understand the structure of the spectra, a simple model is developed to take into account the main interactions in the fN-1 d configuration. This model leads to quantum numbers characterizing the states and the associated transition selection rules. Relative transition intensities can be quantitatively estimated. The model is applied to Eu 2+ and Sm 3+ ions in crystals.

  8. Simulating Exoplanet Transit and Eclipse Observations with JWST

    Science.gov (United States)

    Greene, Tom

    2011-01-01

    The James Webb Space Telescope (JWST) will be a nearly ideal machine for acquiring the transmission and emission spectra of transiting exoplanets over its large wavelength range 0.7 - 28 microns. The NIRSpec, NIRCam, nTFI, and MIRI instruments will have spectroscopic capabilities that span spectral resolutions from 20 - 3000 and can cover up to 2 - 3 octaves in wavelength simultaneously. This will allow observing multiple molecular features at once, facilitating the separation of atmospheric temperature and abundance effects on spectra. Many transiting planets will also be able to be observed with both transmission and eclipse spectroscopy, providing further insights and constraints on planetary thermal structures and energy transport. Simulated JWST spectra of planets ranging from mini-Neptunes to gas giants will be presented. These simulations include planets ranging from mini-Neptunes to gas giants will be presented. These simulations include current best estimates of actual instrument throughput, resolution, spectral range, systematic noise, and random noise terms. They show that JWST will be able to determine the atmospheric parameters of a wide variety of planets, often when observing only one or a few transit or eclipse event sequences. The thermal emissions of rocky super-Earths will also be quickly detectable via mid-IR eclipse observations if such planets are found around nearby M star hosts beforehand.

  9. Analysis and Simulation of Adiabatic Bend Transitions in Optical Fibers

    Institute of Scientific and Technical Information of China (English)

    YAO Lei; LOU Shu-Qin; JIAN Shui-Sheng

    2009-01-01

    A low-loss criterion for bend transitions in optical fibers is proposed. An optical fiber can be tightly bent with low loss to be adiabatic for the fundamental mode, provided that an approximate upper bound on the rate of change of bend curvature for a given bend curvature is satisfied. Two typical adiabatic bend transition paths, the optimum profile and linear profile, are analyzed and studied numerically. A realizable adiabatic transition with an Archimedean spiral profile is introduced for low bend loss in tightly bent optical fibers. Design of the transitions is based on modeling of the propagation and coupling characteristics of the core and cladding modes,which clearly illustrate the physical processes involved.

  10. A comparative study on the flow over an airfoil using transitional turbulence models

    DEFF Research Database (Denmark)

    Lin, Mou; Sarlak Chivaee, Hamid

    2016-01-01

    This work addresses the simulation of the flow over NREL S826 airfoil under a relatively low Reynolds number (Re = 1 × 105 ) using the CFD solvers OpenFoam and ANSYS Fluent. The flow is simulated using two different transition models, γ − Reθ and k − kL − ω model, and the results are examined...... against the k − ω SST model without transitional formulations. By comparing the simulations with the available experimental data, we find that the using the transitional model can effectively improve the flow prediction, especially the drag coefficient results, before the stall....

  11. Notes on modeling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Antonio [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-10

    These notes present a high-level overview of how modeling and simulation are carried out by practitioners. The discussion is of a general nature; no specific techniques are examined but the activities associated with all modeling and simulation approaches are briefly addressed. There is also a discussion of validation and verification and, at the end, a section on why modeling and simulation are useful.

  12. Modeling and Fitting Exoplanet Transit Light Curves

    Science.gov (United States)

    Millholland, Sarah; Ruch, G. T.

    2013-01-01

    We present a numerical model along with an original fitting routine for the analysis of transiting extra-solar planet light curves. Our light curve model is unique in several ways from other available transit models, such as the analytic eclipse formulae of Mandel & Agol (2002) and Giménez (2006), the modified Eclipsing Binary Orbit Program (EBOP) model implemented in Southworth’s JKTEBOP code (Popper & Etzel 1981; Southworth et al. 2004), or the transit model developed as a part of the EXOFAST fitting suite (Eastman et al. in prep.). Our model employs Keplerian orbital dynamics about the system’s center of mass to properly account for stellar wobble and orbital eccentricity, uses a unique analytic solution derived from Kepler’s Second Law to calculate the projected distance between the centers of the star and planet, and calculates the effect of limb darkening using a simple technique that is different from the commonly used eclipse formulae. We have also devised a unique Monte Carlo style optimization routine for fitting the light curve model to observed transits. We demonstrate that, while the effect of stellar wobble on transit light curves is generally small, it becomes significant as the planet to stellar mass ratio increases and the semi-major axes of the orbits decrease. We also illustrate the appreciable effects of orbital ellipticity on the light curve and the necessity of accounting for its impacts for accurate modeling. We show that our simple limb darkening calculations are as accurate as the analytic equations of Mandel & Agol (2002). Although our Monte Carlo fitting algorithm is not as mathematically rigorous as the Markov Chain Monte Carlo based algorithms most often used to determine exoplanetary system parameters, we show that it is straightforward and returns reliable results. Finally, we show that analyses performed with our model and optimization routine compare favorably with exoplanet characterizations published by groups such as the

  13. Modelling the energy transition in cities

    Energy Technology Data Exchange (ETDEWEB)

    Huber, Felix [Wuppertal Univ. (Germany). Dept. of Civil Engineering; Schwarze, Bjoern; Spiekermann, Klaus; Wegener, Michael [Spiekermann und Wegener Urban and Regional Research, Dortmund (Germany)

    2013-09-01

    The history of cities is a history of energy transitions. In the medieval city heating and cooking occurred with wood and peat. The growth of the industrial city in the 19th century was built on coal and electricity. The sprawling metropolis of the 20th century was made possible by oil and gas. How will the city of the 21st century look after the next energy transition from fossil to renewable energy? This paper reports on the extension of an urban land-use transport interaction model to a model of the energy transition in the Ruhr Area, a five-million agglomeration in Germany. The paper presents the planned model extensions and how they are to be integrated into the model and shows first preliminary results.

  14. Optimization models in a transition economy

    CERN Document Server

    Sergienko, Ivan V; Koshlai, Ludmilla

    2014-01-01

    This book opens new avenues in understanding mathematical models within the context of a  transition economy. The exposition lays out the methods for combining different mathematical structures and tools to effectively build the next model that will accurately reflect real world economic processes. Mathematical modeling of weather phenomena allows us to forecast certain essential weather parameters without any possibility of changing them. By contrast, modeling of transition economies gives us the freedom to not only predict changes in important indexes of all types of economies, but also to influence them more effectively in the desired direction. Simply put: any economy, including a transitional one, can be controlled. This book is useful to anyone who wants to increase profits within their business, or improve the quality of their family life and the economic area they live in. It is beneficial for undergraduate and graduate students specializing in the fields of Economic Informatics, Economic Cybernetic...

  15. A Holographic Model of Quantum Hall Transition

    CERN Document Server

    Mezzalira, Andrea

    2015-01-01

    We consider a phenomenological holographic model, inspired by the D3/D7 system with a 2+1 dimensional intersection, at finite chemical potential and magnetic field. At large 't Hooft coupling the system is unstable and needs regularization; the UV cutoff can be decoupled by considering a certain double scaling limit. At finite chemical potential the model exhibits a phase transition between states with filling fractions plus and minus one--half as the magnetic field is varied. By varying the parameters of the model, this phase transition can be made to happen at arbitrary values of the magnetic field.

  16. Simulations of the L H transition dynamics with different heat and particle sources

    Institute of Scientific and Technical Information of China (English)

    李会东; 王占辉; Jan Weiland; 冯灏; 孙卫国

    2015-01-01

    It is crucial to increase the total stored energy by realizing the transition from a low confinement (L-mode) state to a high confinement (H-mode) state in magnetic confinement fusion. The L–H transition process is simulated by using the predictive transport code based on Weiland’s fl uid model. Based on the equilibrium parameters obtained from equilibrium fitting (EFIT) in the experiment, the electron density ne, electron temperature Te, ion temperatures Ti, ion poloidal Vp, and toroidal momenta Vt are simulated self-consistently. The L–H transition dynamic behaviors with the formation of the transport barriers of ion and electron temperatures, the electron density, and the ion toroidal momenta are analyzed. During the L–H transition, the strong poloidal fl ow shear in the edge transport barrier region is observed. The crashes of the electron and ion temperature pedestals are also observed during the L–H transition. The effects of the heating and particle sources on the L–H transition process are studied systematically, and the critical power threshold of the L–H transition is also found.

  17. Dynamo transition in low-dimensional models.

    Science.gov (United States)

    Verma, Mahendra K; Lessinnes, Thomas; Carati, Daniele; Sarris, Ioannis; Kumar, Krishna; Singh, Meenakshi

    2008-09-01

    Two low-dimensional magnetohydrodynamic models containing three velocity and three magnetic modes are described. One of them (nonhelical model) has zero kinetic and current helicity, while the other model (helical) has nonzero kinetic and current helicity. The velocity modes are forced in both these models. These low-dimensional models exhibit a dynamo transition at a critical forcing amplitude that depends on the Prandtl number. In the nonhelical model, dynamo exists only for magnetic Prandtl number beyond 1, while the helical model exhibits dynamo for all magnetic Prandtl number. Although the model is far from reproducing all the possible features of dynamo mechanisms, its simplicity allows a very detailed study and the observed dynamo transition is shown to bear similarities with recent numerical and experimental results.

  18. A transitions model for sustainable mobility

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, Jonathan [Fraunhofer-Institut fuer System- und Innovationsforschung ISI (Germany); Whitmarsh, Lorraine; Haxeltine, Alex [Tyndall Centre for Climate Change Research, ZICER, School of Environmental Sciences, University of East Anglia, Norwich, Norfolk, NR4 7TJ (United Kingdom); Nykvist, Bjoern [Stockholm Environment Institute, Kraeftriket 2B, SE-106 91 Stockholm (Sweden); Schilperoord, Michel [UCD Innovation Research Unit (IRU), Complex Adaptive Systems Laboratory CASL, University College Dublin 8 Belfield Office Park, Beaver Row, Clonskeagh, Dublin 4 (Ireland); Bergman, Noam [Environmental Change Institute, Oxford University Centre for the Environment, South Parks Road, Oxford, OX1 3QY (United Kingdom)

    2009-10-15

    This paper reports on the development of a model for assessing transitions to sustainable mobility. The model uses the concepts of transition theory as a framework for assessing possible pathways by which a transition to a sustainable mobility society might happen. The modelling approach combines agent-based modelling techniques with a system dynamics structure. It is original in that there are two levels of agent. There are a small number of complex agents, which have an internal structure and are therefore subsystems within society, and a larger number of simple agents. Based on the UK data, the results show that Hydrogen Fuel Cell Vehicles (FCVs) come to dominate, but only in the very long run (after 2030), while biofuels and ICE (Internal Combustion Engine)-electric hybrids are the main alternatives to the regime in the next 10-30 years, because a) they are already developed and b) they fit better into current infrastructures. The model shows that technological transitions are most likely. Lifestyle change transitions require sustained pressure from the environment on society and behavioural change from consumers. (author)

  19. Operationalizing resilience using state and transition models

    Science.gov (United States)

    In management, restoration, and policy contexts, the notion of resilience can be confusing. Systematic development of conceptual models of ecological state change (state transition models; STMs) can help overcome semantic confusion and promote a mechanistic understanding of resilience. Drawing on ex...

  20. A Model of Mental State Transition Network

    Science.gov (United States)

    Xiang, Hua; Jiang, Peilin; Xiao, Shuang; Ren, Fuji; Kuroiwa, Shingo

    Emotion is one of the most essential and basic attributes of human intelligence. Current AI (Artificial Intelligence) research is concentrating on physical components of emotion, rarely is it carried out from the view of psychology directly(1). Study on the model of artificial psychology is the first step in the development of human-computer interaction. As affective computing remains unpredictable, creating a reasonable mental model becomes the primary task for building a hybrid system. A pragmatic mental model is also the fundament of some key topics such as recognition and synthesis of emotions. In this paper a Mental State Transition Network Model(2) is proposed to detect human emotions. By a series of psychological experiments, we present a new way to predict coming human's emotions depending on the various current emotional states under various stimuli. Besides, people in different genders and characters are taken into consideration in our investigation. According to the psychological experiments data derived from 200 questionnaires, a Mental State Transition Network Model for describing the transitions in distribution among the emotions and relationships between internal mental situations and external are concluded. Further more the coefficients of the mental transition network model were achieved. Comparing seven relative evaluating experiments, an average precision rate of 0.843 is achieved using a set of samples for the proposed model.

  1. Theoretical Insights from Facile Microsecond Simulation of the Glass Transition

    Science.gov (United States)

    Hung, Jui-Hsiang; Patra, Tarak; Simmons, David

    Despite more than half a century of research, the fundamental nature of the glass transition remains one of the major open questions in polymer science and condensed matter physics. Molecular dynamics simulations have provided key insights into this problem, but their ability to firmly establish the underlying nature of glass formation have been limited by the extreme computational difficulty of directly probing the deeply supercooled regime most relevant to this process. Here we describe a new protocol for simulation of the glass transition enabling facile access to in-equilibrium segmental relaxation times approaching and exceeding one microsecond - well into the deeply supercooled regime of most glass-forming liquids. Coupled with a well-validated strategy for extrapolation to experimental timescales, this approach provides vastly improved prediction of experimental glass transition temperatures. Here we combine data acquired through this protocol for the deeply supercooled regime of polymeric, inorganic, organic, and metallic glass formers to robustly test several theories of glass formation and identify microscopic phenomenological features shared across all classes of glass-forming liquid in the deeply supercooled regime. We acknowledge the W. M. Keck Foundation for financial support of this research.

  2. Evaluating uncertainty in simulation models

    Energy Technology Data Exchange (ETDEWEB)

    McKay, M.D.; Beckman, R.J.; Morrison, J.D.; Upton, S.C.

    1998-12-01

    The authors discussed some directions for research and development of methods for assessing simulation variability, input uncertainty, and structural model uncertainty. Variance-based measures of importance for input and simulation variables arise naturally when using the quadratic loss function of the difference between the full model prediction y and the restricted prediction {tilde y}. The concluded that generic methods for assessing structural model uncertainty do not now exist. However, methods to analyze structural uncertainty for particular classes of models, like discrete event simulation models, may be attainable.

  3. Simulation Model of a Transient

    DEFF Research Database (Denmark)

    Jauch, Clemens; Sørensen, Poul; Bak-Jensen, Birgitte

    2005-01-01

    This paper describes the simulation model of a controller that enables an active-stall wind turbine to ride through transient faults. The simulated wind turbine is connected to a simple model of a power system. Certain fault scenarios are specified and the turbine shall be able to sustain operation...... in case of such faults. The design of the controller is described and its performance assessed by simulations. The control strategies are explained and the behaviour of the turbine discussed....

  4. Can sigma models describe finite temperature chiral transitions?

    CERN Document Server

    Kocic, Aleksandar; Aleksandar KOCIC; John KOGUT

    1995-01-01

    Large-N expansions and computer simulations indicate that the universality class of the finite temperature chiral symmetry restoration transition in the 3D Gross-Neveu model is mean field theory. This is a counterexample to the standard 'sigma model' scenario which predicts the 2D Ising model universality class. We trace the breakdown of the standard scenario (dimensional reduction and universality) to the absence of canonical scalar fields in the model. We point out that our results could be generic for theories with dynamical symmetry breaking, such as Quantum Chromodynamics.

  5. Simulation Model of a Transient

    DEFF Research Database (Denmark)

    Jauch, Clemens; Sørensen, Poul; Bak-Jensen, Birgitte

    2005-01-01

    This paper describes the simulation model of a controller that enables an active-stall wind turbine to ride through transient faults. The simulated wind turbine is connected to a simple model of a power system. Certain fault scenarios are specified and the turbine shall be able to sustain operation...

  6. Simple models for shear flow transition

    Science.gov (United States)

    Barkley, Dwight

    2011-11-01

    I will discuss recent developments in modeling transitional shear flows with simple two-variable models. Both pipe flow and plane Couette flow are considered. The essential insight is that most large-scale features of these shear flows can be traced to a change from excitability to bistability in the local dynamics. Models are presented in two variables, turbulence intensity and mean shear. A PDE model of pipe flow captures the essence of the puff-slug transition as a change from excitability to bistability. Extended models with turbulence as deterministic transient chaos or multiplicative noise reproduce almost all large-scale features of transitional pipe flow. In particular they capture metastable localized puffs, puff splitting, slugs, localized edge states, a continuous transition to sustained turbulence via spatiotemporal intermittency (directed percolation), and a subsequent increase in turbulence fraction towards uniform, featureless turbulence. A model that additionally takes into account the symmetries of plane Couette flow reproduces localized turbulence and periodic turbulent-laminar bands.

  7. Fermilab Booster Transition Crossing Simulations and Beam Studies

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, C. M. [Fermilab; Tan, C. Y. [Fermilab

    2016-01-01

    The Fermilab Booster accelerates beam from 400 MeV to 8 GeV at 15 Hz. In the PIP (Proton Improvement Plan) era, it is required that Booster deliver 4.2 x $10^{12}$ protons per pulse to extraction. One of the obstacles for providing quality beam to the users is the longitudinal quadrupole oscillation that the beam suffers from right after transition. Although this oscillation is well taken care of with quadrupole dampers, it is important to understand the source of these oscillations in light of the PIP II requirements that require 6.5 x $10^{12}$ protons per pulse at extraction. This paper explores the results from machine studies, computer simulations and solutions to prevent the quadrupole oscillations after transition.

  8. Fermilab Booster Transition Crossing Simulations and Beam Studies

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, C. M. [Fermilab; Tan, C. Y. [Fermilab

    2016-01-01

    The Fermilab Booster accelerates beam from 400 MeV to 8 GeV at 15 Hz. In the PIP (Proton Improvement Plan) era, it is required that Booster deliver 4.2 x $10^{12}$ protons per pulse to extraction. One of the obstacles for providing quality beam to the users is the longitudinal quadrupole oscillation that the beam suffers from right after transition. Although this oscillation is well taken care of with quadrupole dampers, it is important to understand the source of these oscillations in light of the PIP II requirements that require 6.5 x $10^{12}$ protons per pulse at extraction. This paper explores the results from machine studies, computer simulations and solutions to prevent the quadrupole oscillations after transition.

  9. Employment, Production and Consumption model: Patterns of phase transitions

    Science.gov (United States)

    Lavička, H.; Lin, L.; Novotný, J.

    2010-04-01

    We have simulated the model of Employment, Production and Consumption (EPC) using Monte Carlo. The EPC model is an agent based model that mimics very basic rules of industrial economy. From the perspective of physics, the nature of the interactions in the EPC model represents multi-agent interactions where the relations among agents follow the key laws for circulation of capital and money. Monte Carlo simulations of the stochastic model reveal phase transition in the model economy. The two phases are the phase with full unemployment and the phase with nearly full employment. The economy switches between these two states suddenly as a reaction to a slight variation in the exogenous parameter, thus the system exhibits strong non-linear behavior as a response to the change of the exogenous parameters.

  10. Simulation - modeling - experiment; Simulation - modelisation - experience

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    After two workshops held in 2001 on the same topics, and in order to make a status of the advances in the domain of simulation and measurements, the main goals proposed for this workshop are: the presentation of the state-of-the-art of tools, methods and experiments in the domains of interest of the Gedepeon research group, the exchange of information about the possibilities of use of computer codes and facilities, about the understanding of physical and chemical phenomena, and about development and experiment needs. This document gathers 18 presentations (slides) among the 19 given at this workshop and dealing with: the deterministic and stochastic codes in reactor physics (Rimpault G.); MURE: an evolution code coupled with MCNP (Meplan O.); neutronic calculation of future reactors at EdF (Lecarpentier D.); advance status of the MCNP/TRIO-U neutronic/thermal-hydraulics coupling (Nuttin A.); the FLICA4/TRIPOLI4 thermal-hydraulics/neutronics coupling (Aniel S.); methods of disturbances and sensitivity analysis of nuclear data in reactor physics, application to VENUS-2 experimental reactor (Bidaud A.); modeling for the reliability improvement of an ADS accelerator (Biarotte J.L.); residual gas compensation of the space charge of intense beams (Ben Ismail A.); experimental determination and numerical modeling of phase equilibrium diagrams of interest in nuclear applications (Gachon J.C.); modeling of irradiation effects (Barbu A.); elastic limit and irradiation damage in Fe-Cr alloys: simulation and experiment (Pontikis V.); experimental measurements of spallation residues, comparison with Monte-Carlo simulation codes (Fallot M.); the spallation target-reactor coupling (Rimpault G.); tools and data (Grouiller J.P.); models in high energy transport codes: status and perspective (Leray S.); other ways of investigation for spallation (Audoin L.); neutrons and light particles production at intermediate energies (20-200 MeV) with iron, lead and uranium targets (Le Colley F

  11. Simulation of M/M/m Queuing Model Based on Markov State Transition Process%基于马尔科夫状态转移过程的M/M/m排队模型仿真

    Institute of Scientific and Technical Information of China (English)

    曹永荣; 韩瑞霞; 胡伟

    2012-01-01

    马尔科夫链是研究排队系统的主要方法,本文在现有M/M/m排队理论和排队系统仿真理论基础上,利用Matlab建立基于马尔科夫状态转移过程的M/M/m排队模型仿真程序.仿真程序在产生初始化参数设定后,利用时钟推进法来模拟空闲服务台和繁忙服务台情况下的服务流程,最后通过M/M/m模型特征描述的仿真计算,获得平均等待时间(E[W])、平均停机时间(E[ DT])、平均排队队长E[ Q]、系统中的平均客户数(E[L])和可能延迟的概率((Ⅱ))5项重要的特征描述.模拟次数设定为20 000次,模拟客户服务率和客户到达率相同,服务台在3~6个的排队系统,并将仿真结果与理论值以及Queue2.0的模拟结果相比较.最终结果显示E[W]、[DT]和H3项最重要指标的仿真结果和理论值都极为相近,误差范围小,本研究将为优先权排队系统的仿真研究提供理论依据.%Markov chain is the main method for the study of queuing systems. This paper integrates the existing theories of M/M/m queuing system and theories of queuing system simulation, and builds simulation program of M/M/m Queuing Model according to the Markov state transition process using Matlab. The simulation process is as follows. First of all, simulation program initializes the parameter settings, such as service time, the interval of customer arrival, the number of server etc. Secondly, promotes the program used time clock which is based on the arrival time of customers and the end time of service. Thirdly, simulates the free servers and busy servers process when a customer arrived, and recodes the corresponding data. Finally, calculate the M/M/m model's characterized descriptions , included in the average down time (E[ DT] ) , the average waiting time (E[ W]), the average number of queuing customer (E[(Q])> the average number of customers in the queuing system( E[ L]) and delay probability (Ⅱ) , based on the simulation formula. Sets the

  12. Computational Fluid Dynamics (CFD) Simulation of Hypersonic Turbine-Based Combined-Cycle (TBCC) Inlet Mode Transition

    Science.gov (United States)

    Slater, John W.; Saunders, John D.

    2010-01-01

    Methods of computational fluid dynamics were applied to simulate the aerodynamics within the turbine flowpath of a turbine-based combined-cycle propulsion system during inlet mode transition at Mach 4. Inlet mode transition involved the rotation of a splitter cowl to close the turbine flowpath to allow the full operation of a parallel dual-mode ramjet/scramjet flowpath. Steady-state simulations were performed at splitter cowl positions of 0deg, -2deg, -4deg, and -5.7deg, at which the turbine flowpath was closed half way. The simulations satisfied one objective of providing a greater understanding of the flow during inlet mode transition. Comparisons of the simulation results with wind-tunnel test data addressed another objective of assessing the applicability of the simulation methods for simulating inlet mode transition. The simulations showed that inlet mode transition could occur in a stable manner and that accurate modeling of the interactions among the shock waves, boundary layers, and porous bleed regions was critical for evaluating the inlet static and total pressures, bleed flow rates, and bleed plenum pressures. The simulations compared well with some of the wind-tunnel data, but uncertainties in both the windtunnel data and simulations prevented a formal evaluation of the accuracy of the simulation methods.

  13. IVOA Recommendation: Simulation Data Model

    CERN Document Server

    Lemson, Gerard; Cervino, Miguel; Gheller, Claudio; Gray, Norman; LePetit, Franck; Louys, Mireille; Ooghe, Benjamin; Wagner, Rick; Wozniak, Herve

    2014-01-01

    In this document and the accompanying documents we describe a data model (Simulation Data Model) describing numerical computer simulations of astrophysical systems. The primary goal of this standard is to support discovery of simulations by describing those aspects of them that scientists might wish to query on, i.e. it is a model for meta-data describing simulations. This document does not propose a protocol for using this model. IVOA protocols are being developed and are supposed to use the model, either in its original form or in a form derived from the model proposed here, but more suited to the particular protocol. The SimDM has been developed in the IVOA Theory Interest Group with assistance of representatives of relevant working groups, in particular DM and Semantics.

  14. Advanced simulations of optical transition and diffraction radiation

    Directory of Open Access Journals (Sweden)

    T. Aumeyr

    2015-04-01

    Full Text Available Charged particle beam diagnostics is a key task in modern and future accelerator installations. The diagnostic tools are practically the “eyes” of the operators. The precision and resolution of the diagnostic equipment are crucial to define the performance of the accelerator. Transition and diffraction radiation (TR and DR are widely used for electron beam parameter monitoring. However, the precision and resolution of those devices are determined by how well the production, transport and detection of these radiation types are understood. This paper reports on simulations of TR and DR spatial-spectral characteristics using the physical optics propagation (POP mode of the Zemax advanced optics simulation software. A good consistency with theory is demonstrated. Also, realistic optical system alignment issues are discussed.

  15. Phase Transition in the Simplest Plasma Model

    CERN Document Server

    Iosilevskiy, Igor

    2009-01-01

    We have investigated the phase transition of the gas-liquid type, with an upper critical point, in a variant of the One Component Plasma model (OCP) that has a uniform but compressible compensating background. We have calculated the parameters of the critical and triple points, spinodals, and two-phase coexistence curves (binodals). We have analyzed the connection of this simplest plasma phase transition with anomalies in the spatial charge profiles of equilibrium non-uniform plasma in the local-density approximations of Thomas-Fermi or Poisson-Boltzmann-type.

  16. Molecular Dynamical Simulation of Ice Phase Transition: Ice Ih to High-Density Amorphous

    Institute of Scientific and Technical Information of China (English)

    DONG Shun-Le; WANG Yan

    2005-01-01

    @@ We put 5kbar and 12kbar on perfect ice Ih lattice at 77K and 180K. After 30000 simulation steps (in units of 10-15 s), high-density amorphous ice is formed. Four-site simple-pair potential TIP4P is used for molecular interactions and the rigid molecular model is employed. Phase transition processes are fitted by an exponential function, and different phase transition times τ are obtained from O-O radial distribution functions (366 and 359fs for 77K and 180K) and O-O-O angle distribution functions (126 and 116fs for 77K and 180K).

  17. Simulation model for port shunting yards

    Science.gov (United States)

    Rusca, A.; Popa, M.; Rosca, E.; Rosca, M.; Dragu, V.; Rusca, F.

    2016-08-01

    Sea ports are important nodes in the supply chain, joining two high capacity transport modes: rail and maritime transport. The huge cargo flows transiting port requires high capacity construction and installation such as berths, large capacity cranes, respectively shunting yards. However, the port shunting yards specificity raises several problems such as: limited access since these are terminus stations for rail network, the in-output of large transit flows of cargo relatively to the scarcity of the departure/arrival of a ship, as well as limited land availability for implementing solutions to serve these flows. It is necessary to identify technological solutions that lead to an answer to these problems. The paper proposed a simulation model developed with ARENA computer simulation software suitable for shunting yards which serve sea ports with access to the rail network. Are investigates the principal aspects of shunting yards and adequate measures to increase their transit capacity. The operation capacity for shunting yards sub-system is assessed taking in consideration the required operating standards and the measure of performance (e.g. waiting time for freight wagons, number of railway line in station, storage area, etc.) of the railway station are computed. The conclusion and results, drawn from simulation, help transports and logistics specialists to test the proposals for improving the port management.

  18. Modelling Transition Towards Sustainable Transportation Sector

    DEFF Research Database (Denmark)

    Dominkovic, Dominik Franjo; Bačeković, I.; Mýrdal, Jón Steinar Garðarsson

    2016-01-01

    In a transition towards 100% renewable energy system, transportation sector is rarely dealt withusing the holistic approach and measuring its impact on the whole energy system. Furthermore, assolutions for power and heat sectors are clearer, it is a tendency of the researchers to focus on thelatter...... two energy sectors. In order to deal with the raised issue, authors of this paper developed amethodology for calculation of the transition towards sustainable transport sector, focusing on thesolutions that are already available. Furthermore, as a part of the model, a detailed mapping ofresources...... needed has been carried out for each of the alternatives. It was shown that theelectrification of the transportation sector is a crucial point in transition, while for the transportmodes that cannot be electrified, or shifted to different transportation modes, four alternatives weredefined: synthetic...

  19. A Model Study Of The Deconfining Phase Transition

    CERN Document Server

    Velytsky, A

    2004-01-01

    The study of the deconfining phase transition or crossover is important for the understanding of properties of nuclear matter and the quark gluon plasma. Heavy ion collisions experiments are capable of creating conditions necessary for deconfinement. The dynamics of this process and not only its equilibrium properties are of interest. In this dissertation non-equilibrium aspects of rapid heating and cooling of the QCD vacuum are studied in a model framework. The 3-D Potts model with an external magnetic field is an effective model of QCD (of pure SU(3) gauge theory, when the magnetic field is set to zero), which we study by means of Monte Carlo simulations. Other models are used to understand the influence of the strength of the phase transition. In our investigations these systems are temperature driven through a phase transition or a rapid crossover using updating procedures in the Glauber universality class. We study hysteresis cycles with different updating speeds and simulations of a quench. Qualitativel...

  20. New Cyclic Voltammetry Method for Examining Phase Transitions: Simulated Results

    OpenAIRE

    2006-01-01

    We propose a new experimental technique for cyclic voltammetry, based on the first-order reversal curve (FORC) method for analysis of systems undergoing hysteresis. The advantages of this electrochemical FORC (EC-FORC) technique are demonstrated by applying it to dynamical models of electrochemical adsorption. The method can not only differentiate between discontinuous and continuous phase transitions, but can also quite accurately recover equilibrium behavior from dynamic analysis of systems...

  1. Modeling and Simulation with INS.

    Science.gov (United States)

    Roberts, Stephen D.; And Others

    INS, the Integrated Network Simulation language, puts simulation modeling into a network framework and automatically performs such programming activities as placing the problem into a next event structure, coding events, collecting statistics, monitoring status, and formatting reports. To do this, INS provides a set of symbols (nodes and branches)…

  2. Simulation modeling of estuarine ecosystems

    Science.gov (United States)

    Johnson, R. W.

    1980-01-01

    A simulation model has been developed of Galveston Bay, Texas ecosystem. Secondary productivity measured by harvestable species (such as shrimp and fish) is evaluated in terms of man-related and controllable factors, such as quantity and quality of inlet fresh-water and pollutants. This simulation model used information from an existing physical parameters model as well as pertinent biological measurements obtained by conventional sampling techniques. Predicted results from the model compared favorably with those from comparable investigations. In addition, this paper will discuss remotely sensed and conventional measurements in the framework of prospective models that may be used to study estuarine processes and ecosystem productivity.

  3. Testing the paradigms of the glass transition in colloids via dynamic simulation

    Science.gov (United States)

    Wang, Jialun; Peng, Xiaoguang; Li, Qi; McKenna, Gregory; Zia, Roseanna

    2016-11-01

    Upon cooling, molecular glass-formers undergo a glass transition during which viscosity appears to diverge, and the material transitions from a liquid to an amorphous solid. However, the new state is not an equilibrium phase: material properties such as enthalpy continue to evolve in time. Rather, the material evolves toward an "intransient" state, as measured by the Kovacs signature experiments, e.g. the intrinsic isotherm, which reveals a paradoxical dependence of transition time on quench depth, and suggests that whether the glass transition occurs at the beginning or end of this transition is an open question. Colloidal glass formers provide a natural way to model such behavior, owing to the disparity in time scales that allow tracking of particle dynamics. We interrogate these ideas via dynamic simulation of a hard-sphere colloidal glassy state induced by jumps in volume fraction. We explore three methods to model the jump: evaporation, aspiration, and particle-size jumps. During and following each jump, the positions, velocities, and particle-phase stress are tracked and utilized to characterize relaxation time scales and structural changes. Analogs for the intrinsic isotherms are developed. The results provide insight into the existence of an "ideal" glass transition.

  4. Culture in Transition: A learning model

    DEFF Research Database (Denmark)

    Baca, Susan

    2010-01-01

    of spare capacity, desire, focus, and information. By integrating the element of culture, both in the organizational sense and that pertaining to diversity, otherwise overseen aspects of transition are brought into view, with the potential of reducing stress and increasing job satisfaction. The model......This paper addresses the problem of resistance to attempted changes in organizational culture, particularly those involving diversity, by 1) identifying precisely what is meant by organizational as opposed to societal culture, 2) developing a theoretical model of learning useful in contexts...... of organizational transition, and 3) demonstrating the efficacy of the model by using it to explain empirical research findings. It is argued that learning new cultural currency involves the use of active intelligence to locate and answer relevant questions, and further that this process requires the interplay...

  5. Simulation and evaluation of urban rail transit network based on multi-agent approach

    Directory of Open Access Journals (Sweden)

    Xiangming Yao

    2013-03-01

    Full Text Available Purpose: Urban rail transit is a complex and dynamic system, which is difficult to be described in a global mathematical model for its scale and interaction. In order to analyze the spatial and temporal characteristics of passenger flow distribution and evaluate the effectiveness of transportation strategies, a new and comprehensive method depicted such dynamic system should be given. This study therefore aims at using simulation approach to solve this problem for subway network. Design/methodology/approach: In this thesis a simulation model based on multi-agent approach has been proposed, which is a well suited method to design complex systems. The model includes the specificities of passengers’ travelling behaviors and takes into account of interactions between travelers and trains. Findings: Research limitations/implications: We developed an urban rail transit simulation tool for verification of the validity and accuracy of this model, using real passenger flow data of Beijing subway network to take a case study, results show that our simulation tool can be used to analyze the characteristic of passenger flow distribution and evaluate operation strategies well. Practical implications: The main implications of this work are to provide decision support for traffic management, making train operation plan and dispatching measures in emergency. Originality/value: A new and comprehensive method to analyze and evaluate subway network is presented, accuracy and computational efficiency of the model has been confirmed and meet with the actual needs for large-scale network.

  6. Extratropical transitioning in the RMS Japan typhoon wind field model

    Science.gov (United States)

    Loridan, Thomas; Scherer, Emilie; Khare, Shree

    2013-04-01

    Given its meridional extent and location within the Pacific basin, Japan is regularly impacted by strong winds from cyclones at different stages of their lifecycle. To quantify the associated risk of damage to properties, catastrophe models such as the ones developed by RMS aim to simulate wind fields from thousands of stochastic storms that extrapolate historical events. In a recent study using 25 years of reanalysis data, Kitabatake (2011) estimated that 40 % of all Pacific tropical cyclones completed their transition as an extra tropical system. From a cat modelling point of view it is the increase in wind field asymmetry observed during these transitioning episodes that is critical, with examples like typhoon Tokage in 2004 showing the potential for damaging gusts on both sides of the storm track. In this context a compromise has to be found between the need for complex numerical models able to simulate wind field variability around the cyclone during its entire evolution, and obvious running time constrains. The RMS wind field model is based on an optimized version of the Willoughby parametric profile (Willoughby et al., 2006) which requires calibration against targets representative of cyclone wind fields throughout their lifecycle. We here present the different sources of data involved in the development of this model. This includes (1) satellite products to characterize wind fields from fully tropical storms, (2) high resolution simulations of key transitioning events using the WRF mesoscale model to complement the database at other stages (i.e. for transitioning and fully extra tropical wind fields), and (3) reanalysis data which can be used with Hart (2003)'s cyclone phase space methodology to provide an estimate of the mean duration of transitioning episodes in the Pacific. Kitabatake, N., 2011: Climatology of extratropical transition of tropical cyclones in the Western North Pacific defined by using cyclone phase space. J. Meteor. Soc. Japan, 89, 309

  7. Modeling and Simulating Environmental Effects

    OpenAIRE

    Guest, Peter S.; Murphree, Tom; Frederickson, Paul A.; Guest, Arlene A.

    2012-01-01

    MOVES Research & Education Systems Seminar: Presentation; Session 4: Collaborative NWDC/NPS M&S Research; Moderator: Curtis Blais; Modeling and Simulating Environmental Effects; speakers: Peter Guest, Paul Frederickson & Tom Murphree Environmental Effects Group

  8. TREAT Modeling and Simulation Strategy

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, Mark David [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    This report summarizes a four-phase process used to describe the strategy in developing modeling and simulation software for the Transient Reactor Test Facility. The four phases of this research and development task are identified as (1) full core transient calculations with feedback, (2) experiment modeling, (3) full core plus experiment simulation and (4) quality assurance. The document describes the four phases, the relationship between these research phases, and anticipated needs within each phase.

  9. Simulations of Noise in Phase-Separated Transition-Edge Sensors for SuperCDMS

    CERN Document Server

    Anderson, A J; Pyle, M; Figueroa-Feliciano, E; McCarthy, K; Doughty, T; Cherry, M; Young, B

    2011-01-01

    We briefly review a simple model of superconducting-normal phase-separation in transition-edge sensors in the SuperCDMS experiment. After discussing some design considerations relevant to the TES in the detectors, we study noise sources in both the phase-separated and phase-uniform cases. Such simulations are valuable for optimizing the critical temperature and TES length of future SuperCDMS detectors.

  10. Bifurcation analysis and dimension reduction of a predator-prey model for the L-H transition

    DEFF Research Database (Denmark)

    Dam, Magnus; Brøns, Morten; Juul Rasmussen, Jens

    2013-01-01

    The L-H transition denotes a shift to an improved confinement state of a toroidal plasma in a fusion reactor. A model of the L-H transition is required to simulate the time dependence of tokamak discharges that include the L-H transition. A 3-ODE predator-prey type model of the L-H transition...... is investigated with bifurcation theory of dynamical systems. The analysis shows that the model contains three types of transitions: an oscillating transition, a sharp transition with hysteresis, and a smooth transition. The model is recognized as a slow-fast system. A reduced 2-ODE model consisting of the full...... model restricted to the flow on the critical manifold is found to contain all the same dynamics as the full model. This means that all the dynamics in the system is essentially 2-dimensional, and a minimal model of the L-H transition could be a 2-ODE model....

  11. Bifurcation analysis and dimension reduction of a predator-prey model for the L-H transition

    Science.gov (United States)

    Dam, Magnus; Brøns, Morten; Juul Rasmussen, Jens; Naulin, Volker; Xu, Guosheng

    2013-10-01

    The L-H transition denotes a shift to an improved confinement state of a toroidal plasma in a fusion reactor. A model of the L-H transition is required to simulate the time dependence of tokamak discharges that include the L-H transition. A 3-ODE predator-prey type model of the L-H transition is investigated with bifurcation theory of dynamical systems. The analysis shows that the model contains three types of transitions: an oscillating transition, a sharp transition with hysteresis, and a smooth transition. The model is recognized as a slow-fast system. A reduced 2-ODE model consisting of the full model restricted to the flow on the critical manifold is found to contain all the same dynamics as the full model. This means that all the dynamics in the system is essentially 2-dimensional, and a minimal model of the L-H transition could be a 2-ODE model.

  12. Bifurcation analysis and dimension reduction of a predator-prey model for the L-H transition

    Energy Technology Data Exchange (ETDEWEB)

    Dam, Magnus; Brøns, Morten [Department of Applied Mathematics and Computer Science, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark); Juul Rasmussen, Jens; Naulin, Volker [Association Euratom-DTU, Department of Physics, Technical University of Denmark, DTU Risø Campus, DK-4000 Roskilde (Denmark); Xu, Guosheng [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2013-10-15

    The L-H transition denotes a shift to an improved confinement state of a toroidal plasma in a fusion reactor. A model of the L-H transition is required to simulate the time dependence of tokamak discharges that include the L-H transition. A 3-ODE predator-prey type model of the L-H transition is investigated with bifurcation theory of dynamical systems. The analysis shows that the model contains three types of transitions: an oscillating transition, a sharp transition with hysteresis, and a smooth transition. The model is recognized as a slow-fast system. A reduced 2-ODE model consisting of the full model restricted to the flow on the critical manifold is found to contain all the same dynamics as the full model. This means that all the dynamics in the system is essentially 2-dimensional, and a minimal model of the L-H transition could be a 2-ODE model.

  13. Agents adopting agriculture : Modeling the agricultural transition

    NARCIS (Netherlands)

    van der Vaart, Elske; de Boer, Bart; Hankel, Albert; Verheij, Bart; Nolfi, S; Baldassarre, G; Calabretta, R; Hallam, JCT; Marocco, D; Meyer, JA; Miglino, O; Parisi, D

    2006-01-01

    The question "What drove foragers to farm?" has drawn answers from many different disciplines, often in the form of verbal models. Here, we take one such model, that of the ideal free distribution, and implement it as an agent-based computer simulation. Populations distribute themselves according to

  14. Agents adopting agriculture : Modeling the agricultural transition

    NARCIS (Netherlands)

    van der Vaart, Elske; de Boer, Bart; Hankel, Albert; Verheij, Bart; Nolfi, S; Baldassarre, G; Calabretta, R; Hallam, JCT; Marocco, D; Meyer, JA; Miglino, O; Parisi, D

    2006-01-01

    The question "What drove foragers to farm?" has drawn answers from many different disciplines, often in the form of verbal models. Here, we take one such model, that of the ideal free distribution, and implement it as an agent-based computer simulation. Populations distribute themselves according to

  15. Stochastic modeling analysis and simulation

    CERN Document Server

    Nelson, Barry L

    1995-01-01

    A coherent introduction to the techniques for modeling dynamic stochastic systems, this volume also offers a guide to the mathematical, numerical, and simulation tools of systems analysis. Suitable for advanced undergraduates and graduate-level industrial engineers and management science majors, it proposes modeling systems in terms of their simulation, regardless of whether simulation is employed for analysis. Beginning with a view of the conditions that permit a mathematical-numerical analysis, the text explores Poisson and renewal processes, Markov chains in discrete and continuous time, se

  16. Model reduction for circuit simulation

    CERN Document Server

    Hinze, Michael; Maten, E Jan W Ter

    2011-01-01

    Simulation based on mathematical models plays a major role in computer aided design of integrated circuits (ICs). Decreasing structure sizes, increasing packing densities and driving frequencies require the use of refined mathematical models, and to take into account secondary, parasitic effects. This leads to very high dimensional problems which nowadays require simulation times too large for the short time-to-market demands in industry. Modern Model Order Reduction (MOR) techniques present a way out of this dilemma in providing surrogate models which keep the main characteristics of the devi

  17. Transit Model of Planets with Moon and Ring System

    CERN Document Server

    Tusnski, Luis Ricardo M; 10.1088/0004-637X/743/1/97

    2011-01-01

    Since the discovery of the first exoplanets, those most adequate for life to begin and evolve have been sought. Due to observational bias, however, most of the discovered planets so far are gas giants, precluding their habitability. However, if these hot Jupiters are located in the habitable zones of their host stars, and if rocky moons orbit them, then these moons may be habitable. In this work, we present a model for planetary transit simulation considering the presence of moons and planetary rings around a planet. The moon's orbit is considered to be circular and coplanar with the planetary orbit. The other physical and orbital parameters of the star, planet, moon, and rings can be adjusted in each simulation. It is possible to simulate as many successive transits as desired. Since the presence of spots on the surface of the star may produce a signal similar to that of the presence of a moon, our model also allows for the inclusion of starspots. The result of the simulation is a light curve with a planetar...

  18. Phase transition and surface sublimation of a mobile Potts model.

    Science.gov (United States)

    Bailly-Reyre, A; Diep, H T; Kaufman, M

    2015-10-01

    We study in this paper the phase transition in a mobile Potts model by the use of Monte Carlo simulation. The mobile Potts model is related to a diluted Potts model, which is also studied here by a mean-field approximation. We consider a lattice where each site is either vacant or occupied by a q-state Potts spin. The Potts spin can move from one site to a nearby vacant site. In order to study the surface sublimation, we consider a system of Potts spins contained in a recipient with a concentration c defined as the ratio of the number of Potts spins N(s) to the total number of lattice sites N(L)=N(x)×N(y)×N(z). Taking into account the attractive interaction between the nearest-neighboring Potts spins, we study the phase transitions as functions of various physical parameters such as the temperature, the shape of the recipient, and the spin concentration. We show that as the temperature increases, surface spins are detached from the solid phase to form a gas in the empty space. Surface order parameters indicate different behaviors depending on the distance to the surface. At high temperatures, if the concentration is high enough, the interior spins undergo a first-order phase transition to an orientationally disordered phase. The mean-field results are shown as functions of temperature, pressure, and chemical potential, which confirm in particular the first-order character of the transition.

  19. A comparative study on the flow over an airfoil using transitional turbulence models

    DEFF Research Database (Denmark)

    Lin, Mou; Sarlak Chivaee, Hamid

    2016-01-01

    This work addresses the simulation of the flow over NREL S826 airfoil under a relatively low Reynolds number (Re = 1 × 105 ) using the CFD solvers OpenFoam and ANSYS Fluent. The flow is simulated using two different transition models, γ − Reθ and k − kL − ω model, and the results are examined...

  20. Random Walk Smooth Transition Autoregressive Models

    OpenAIRE

    2004-01-01

    This paper extends the family of smooth transition autoregressive (STAR) models by proposing a specification in which the autoregressive parameters follow random walks. The random walks in the parameters can capture structural change within a regime switching framework, but in contrast to the time varying STAR (TV-STAR) speciifcation recently introduced by Lundbergh et al (2003), structural change in our random walk STAR (RW-STAR) setting follows a stochastic process rather than a determinist...

  1. The democracy ochlocracy dictatorship transition in the Sznajd model and in the Ising model

    Science.gov (United States)

    Schneider, Johannes J.; Hirtreiter, Christian

    2005-08-01

    Since its introduction in 2000, the Sznajd model has been assumed to simulate a democratic community with two parties. The main flaw in this model is that a Sznajd system freezes in the long term in a non-democratic state, which can be either a dictatorship or a stalemate configuration. Here we show that the Sznajd model has better to be considered as a transition model, transferring a democratic system already at the beginning of a simulation via an ochlocratic scenario, i.e., a regime in which several mobs rule, to a dictatorship, thus reproducing the corresponding Aristotelian theory.

  2. A VRLA battery simulation model

    Energy Technology Data Exchange (ETDEWEB)

    Pascoe, P.E.; Anbuky, A.H. [Invensys Energy Systems NZ Limited, Christchurch (New Zealand)

    2004-05-01

    A valve regulated lead acid (VRLA) battery simulation model is an invaluable tool for the standby power system engineer. The obvious use for such a model is to allow the assessment of battery performance. This may involve determining the influence of cells suffering from state of health (SOH) degradation on the performance of the entire string, or the running of test scenarios to ascertain the most suitable battery size for the application. In addition, it enables the engineer to assess the performance of the overall power system. This includes, for example, running test scenarios to determine the benefits of various load shedding schemes. It also allows the assessment of other power system components, either for determining their requirements and/or vulnerabilities. Finally, a VRLA battery simulation model is vital as a stand alone tool for educational purposes. Despite the fundamentals of the VRLA battery having been established for over 100 years, its operating behaviour is often poorly understood. An accurate simulation model enables the engineer to gain a better understanding of VRLA battery behaviour. A system level multipurpose VRLA battery simulation model is presented. It allows an arbitrary battery (capacity, SOH, number of cells and number of strings) to be simulated under arbitrary operating conditions (discharge rate, ambient temperature, end voltage, charge rate and initial state of charge). The model accurately reflects the VRLA battery discharge and recharge behaviour. This includes the complex start of discharge region known as the coup de fouet. (author)

  3. Modeling and Simulating Transitions from Authoritarian Rule

    Science.gov (United States)

    1993-01-01

    implementaion. Gorbachev’s anti- alchohol campaign was designed to increase productivity by decreasing drunkeness on the job. It failed due to public...Participants were encouraged not to be afraid to make mistakes or ask questions during the first turn. On subsequent turns, advice (about game mechanics only...game mechanics . I did not, however, participate in any negotiations or agreements beyond what was specifically asked of and in the best interests of

  4. Atomistic simulation of martensite-austenite phase transition in nanoscale nickel-titanium crystals

    Science.gov (United States)

    Kexel, Christian; Schramm, Stefan; Solov'yov, Andrey V.

    2015-09-01

    Shape-memory (SM) alloys can, after initial inelastic deformation, reconstruct their pristine lattice structure upon heating. The underlying phenomenon is the structural solid-solid phase transition from low-temperature lower-symmetry martensite to the high-temperature higher-symmetry austenite. Conventional nickel-titanium (NiTi) with near-equiatomic concentration already possesses an eminent importance for many applications, whereas the nanostructured equivalent can exhibit yet enhanced thermomechanical properties. However, no plausible microscopic theory of the SM effect in NiTi exists, especially for nanoscale systems. We investigate the thermally induced martensite-austenite phase transition in free equiatomic nanocrystals, comprising up to approximately 40 000 atoms, by means of molecular-dynamics simulations (MD) using a classical Gupta-type many-body scheme. Thereby we complement and extend a previously published study [D. Mutter, P. Nielaba, Eur. Phys. J. B 84, 109 (2011)]. The structural transition, revealing features of a first-order phase transition, is demonstrated. It is contrasted with the melting phase transition, a quantum solid model and bulk experimental findings. Moreover, a nucleation-growth process is observed as well as the irreversibility of the transition upon cooling.

  5. Disorder induced phase transition in an opinion dynamics model: results in 2 and 3 dimensions

    CERN Document Server

    Mukherjee, Sudip

    2016-01-01

    We study a model of continuous opinion dynamics with both positive and negative mutual interaction. The model shows a continuous phase transition between a phase with consensus (order) and a phase having no consensus (disorder). The mean field version of the model was already studied. Using extensive numerical simulations, we study the same model in $2$ and $3$ dimensions. The critical points of the phase transitions for various cases and the associated critical exponents have been estimated. The universality class of the phase transitions in the model is found to be same as Ising model in the respective dimensions.

  6. Modelling and Simulation: An Overview

    NARCIS (Netherlands)

    M.J. McAleer (Michael); F. Chan (Felix); L. Oxley (Les)

    2013-01-01

    textabstractThe papers in this special issue of Mathematics and Computers in Simulation cover the following topics: improving judgmental adjustment of model-based forecasts, whether forecast updates are progressive, on a constrained mixture vector autoregressive model, whether all estimators are bor

  7. General introduction to simulation models

    DEFF Research Database (Denmark)

    Hisham Beshara Halasa, Tariq; Boklund, Anette

    2012-01-01

    Monte Carlo simulation can be defined as a representation of real life systems to gain insight into their functions and to investigate the effects of alternative conditions or actions on the modeled system. Models are a simplification of a system. Most often, it is best to use experiments and field...

  8. Modelling, simulating and optimizing Boilers

    DEFF Research Database (Denmark)

    Sørensen, Kim; Condra, Thomas Joseph; Houbak, Niels

    2003-01-01

    of the boiler has been developed and simulations carried out by means of the Matlab integration routines. The model is prepared as a dynamic model consisting of both ordinary differential equations and algebraic equations, together formulated as a Differential-Algebraic- Equation system. Being able to operate...

  9. Jamming transitions in force-based models for pedestrian dynamics

    CERN Document Server

    Chraibi, Mohcine; Tordeux, Antoine; Nishinari, Katsuhiro; Schadschneider, Andreas; Seyfried, Armin

    2015-01-01

    Force-based models describe pedestrian dynamics in analogy to classical mechanics by a system of second order ordinary differential equations. By investigating the linear stability of two main classes of forces, parameter regions with unstable homogeneous states are identified. In this unstable regime it is then checked whether phase transitions or stop-and-go waves occur. Results based on numerical simulations show, however, that the investigated models lead to unrealistic behavior in form of backwards moving pedestrians and overlapping. This is one reason why stop-and-go waves have not been observed in these models. The unrealistic behavior is not related to the numerical treatment of the dynamic equations but rather indicates an intrinsic problem of this model class. Identifying the underlying generic problems gives indications how to define models that do not show such unrealistic behavior. As an example we introduce a new force-based model which produces realistic jam dynamics without the appearance of u...

  10. Liquid–liquid transition in supercooled water suggested by microsecond simulations

    OpenAIRE

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-01-01

    The putative liquid–liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid–liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the ...

  11. Crossover transition in bag-like models

    Energy Technology Data Exchange (ETDEWEB)

    Ferroni, Lorenzo; Koch, Volker

    2009-03-13

    We formulate a simple model for a gas of extended hadrons at zero chemical potential by taking inspiration from the compressible bag model. We show that a crossover transition qualitatively similar to lattice QCD can be reproduced by such a system by including some appropriate additional dynamics. Under certain conditions, at high temperature, the system consist of a finite number of infinitely extended bags,which occupy the entire space. In this situation the system behaves as an ideal gas of quarks and gluons.

  12. Vehicle dynamics modeling and simulation

    CERN Document Server

    Schramm, Dieter; Bardini, Roberto

    2014-01-01

    The authors examine in detail the fundamentals and mathematical descriptions of the dynamics of automobiles. In this context different levels of complexity will be presented, starting with basic single-track models up to complex three-dimensional multi-body models. A particular focus is on the process of establishing mathematical models on the basis of real cars and the validation of simulation results. The methods presented are explained in detail by means of selected application scenarios.

  13. Stochastic models: theory and simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Field, Richard V., Jr.

    2008-03-01

    Many problems in applied science and engineering involve physical phenomena that behave randomly in time and/or space. Examples are diverse and include turbulent flow over an aircraft wing, Earth climatology, material microstructure, and the financial markets. Mathematical models for these random phenomena are referred to as stochastic processes and/or random fields, and Monte Carlo simulation is the only general-purpose tool for solving problems of this type. The use of Monte Carlo simulation requires methods and algorithms to generate samples of the appropriate stochastic model; these samples then become inputs and/or boundary conditions to established deterministic simulation codes. While numerous algorithms and tools currently exist to generate samples of simple random variables and vectors, no cohesive simulation tool yet exists for generating samples of stochastic processes and/or random fields. There are two objectives of this report. First, we provide some theoretical background on stochastic processes and random fields that can be used to model phenomena that are random in space and/or time. Second, we provide simple algorithms that can be used to generate independent samples of general stochastic models. The theory and simulation of random variables and vectors is also reviewed for completeness.

  14. Mott transitions in the periodic Anderson model

    Science.gov (United States)

    Logan, David E.; Galpin, Martin R.; Mannouch, Jonathan

    2016-11-01

    The periodic Anderson model (PAM) is studied within the framework of dynamical mean-field theory, with particular emphasis on the interaction-driven Mott transition it contains, and on resultant Mott insulators of both Mott-Hubbard and charge-transfer type. The form of the PAM phase diagram is first deduced on general grounds using two exact results, over the full range of model parameters and including metallic, Mott, Kondo and band insulator phases. The effective low-energy model which describes the PAM in the vicinity of a Mott transition is then shown to be a one-band Hubbard model, with effective hoppings that are not in general solely nearest neighbour, but decay exponentially with distance. This mapping is shown to have a range of implications for the physics of the problem, from phase boundaries to single-particle dynamics; all of which are confirmed and supplemented by NRG calculations. Finally we consider the locally degenerate, non-Fermi liquid Mott insulator, to describe which requires a two-self-energy description. This is shown to yield a number of exact results for the associated local moment, charge, and interaction-renormalised levels, together with a generalisation of Luttinger’s theorem to the Mott insulator.

  15. Computational Modeling of Simulation Tests.

    Science.gov (United States)

    1980-06-01

    Mexico , March 1979. 14. Kinney, G. F.,.::. IeiN, .hoce 1h Ir, McMillan, p. 57, 1962. 15. Courant and Friedrichs, ,U: r. on moca an.: Jho...AD 79 275 NEW MEXICO UNIV ALBUGUERGUE ERIC H WANG CIVIL ENGINE-ETC F/6 18/3 COMPUTATIONAL MODELING OF SIMULATION TESTS.(U) JUN 80 6 LEIGH, W CHOWN, B...COMPUTATIONAL MODELING OF SIMULATION TESTS00 0G. Leigh W. Chown B. Harrison Eric H. Wang Civil Engineering Research Facility University of New Mexico

  16. Calibration of the 7—Equation Transition Model for High Reynolds Flows at Low Mach

    Science.gov (United States)

    Colonia, S.; Leble, V.; Steijl, R.; Barakos, G.

    2016-09-01

    The numerical simulation of flows over large-scale wind turbine blades without considering the transition from laminar to fully turbulent flow may result in incorrect estimates of the blade loads and performance. Thanks to its relative simplicity and promising results, the Local-Correlation based Transition Modelling concept represents a valid way to include transitional effects into practical CFD simulations. However, the model involves coefficients that need tuning. In this paper, the γ—equation transition model is assessed and calibrated, for a wide range of Reynolds numbers at low Mach, as needed for wind turbine applications. An aerofoil is used to evaluate the original model and calibrate it; while a large scale wind turbine blade is employed to show that the calibrated model can lead to reliable solutions for complex three-dimensional flows. The calibrated model shows promising results for both two-dimensional and three-dimensional flows, even if cross-flow instabilities are neglected.

  17. Dissipative particle dynamics simulation study of the bilayer-vesicle transition

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A bilayer structure is an important immediate for the vesicle formation. However,the mechanism for the bilayer-vesicle transition remains unclear. In this work,a dissipative particle dynamics(DPD) simulation method was employed to study the mechanism of the bilayer-vesicle transition. A coarse-grained model was built based on a lipid molecule termed dimyristoylphosphatidylcholine(DMPC). Simulations were performed from two different initial configurations:a random dispersed solution and a tensionless bilayer. It was found that the bilayer-vesicle transition was driven by the minimization of the water-tail hydrophobic interaction energy,and was accompanied with the increase of the position entropy due to the redistribution of water molecules. The bulk pressure was reduced during the bilayer-vesicle transition,suggesting the evolved vesicle morphology was at the relatively low free energy state. The membrane in the product vesicle was a two-dimensional fluid. It can be concluded that the membrane of a vesicle is not interdigitated and most of the bonds in lipid chains are inclined to orient along the radical axis of the vesicle.

  18. SIMULATION OF COLLECTIVE RISK MODEL

    Directory of Open Access Journals (Sweden)

    Viera Pacáková

    2007-12-01

    Full Text Available The article focuses on providing brief theoretical definitions of the basic terms and methods of modeling and simulations of insurance risks in non-life insurance by means of mathematical and statistical methods using statistical software. While risk assessment of insurance company in connection with its solvency is a rather complex and comprehensible problem, its solution starts with statistical modeling of number and amount of individual claims. Successful solution of these fundamental problems enables solving of curtail problems of insurance such as modeling and simulation of collective risk, premium an reinsurance premium calculation, estimation of probabiliy of ruin etc. The article also presents some essential ideas underlying Monte Carlo methods and their applications to modeling of insurance risk. Solving problem is to find the probability distribution of the collective risk in non-life insurance portfolio. Simulation of the compound distribution function of the aggregate claim amount can be carried out, if the distibution functions of the claim number process and the claim size are assumed given. The Monte Carlo simulation is suitable method to confirm the results of other methods and for treatments of catastrophic claims, when small collectives are studied. Analysis of insurance risks using risk theory is important part of the project Solvency II. Risk theory is analysis of stochastic features of non-life insurance process. The field of application of risk theory has grown rapidly. There is a need to develop the theory into form suitable for practical purposes and demostrate their application. Modern computer simulation techniques open up a wide field of practical applications for risk theory concepts, without requiring the restricive assumptions and sophisticated mathematics. This article presents some comparisons of the traditional actuarial methods and of simulation methods of the collective risk model.

  19. Modeling texture transitions in cholesteric liquid crystal droplets

    Science.gov (United States)

    Selinger, Robin; Gimenez-Pinto, Vianney; Lu, Shin-Ying; Selinger, Jonathan; Konya, Andrew

    2012-02-01

    Cholesteric liquid crystals can be switched reversibly between planar and focal-conic textures, a property enabling their application in bistable displays, liquid crystal writing tablets, e-books, and color switching ``e-skins.'' To explore voltage-pulse induced switching in cholesteric droplets, we perform simulation studies of director dynamics in three dimensions. Electrostatics calculations are solved at each time step using an iterative relaxation method. We demonstrate that as expected, a low amplitude pulse drives the transition from planar to focal conic, while a high amplitude pulse drives the transition from focal conic back to the planar state. We use the model to explore the effects of droplet shape, aspect ratio, and anchoring conditions, with the goal of minimizing both response time and energy consumption.

  20. Phase transition in a spatial Lotka-Volterra model

    Energy Technology Data Exchange (ETDEWEB)

    Szabo, Gyorgy; Czaran, Tamas

    2001-06-01

    Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value P{sub c} above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model.

  1. Phase transition in a spatial Lotka-Volterra model.

    Science.gov (United States)

    Szabó, G; Czárán, T

    2001-06-01

    Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value P(c) above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model.

  2. Properties of analytic transit light curve models

    CERN Document Server

    Pál, András

    2008-01-01

    In this paper a set of analytic formulae are presented with which the partial derivatives of the flux obscuration function can be evaluated -- for planetary transits and eclipsing binaries -- under the assumption of quadratic limb darkening. The knowledge of these partial derivatives are crucial for many of the data modeling algorithms and estimates of the light curve variations directly from the changes in the orbital elements. These derivatives can also be utilized to speed up some of the fitting methods. A gain of 10 in computing time can be achieved in the implementation of the Levenberg-Marquardt algorithm, relative to using numerical derivatives.

  3. Modeling the polycentric transition of cities

    CERN Document Server

    Louf, Rémi

    2013-01-01

    Empirical evidence suggest that most urban systems experience a transition from a monocentric to a polycentric organisation as they grow and expand. We propose here a stochastic, out-of-equilibrium model of the city which explains the appearance of subcenters as an effect of traffic congestion. We show that congestion triggers the unstability of the monocentric regime, and that the number of subcenters and the total commuting distance within a city scale sublinearly with its population, predictions which are in agreement with data gathered for around 9000 US cities between 1994 and 2010.

  4. Finite-temperature transition of the antiferromagnetic Heisenberg model on a distorted kagome lattice.

    Science.gov (United States)

    Masuda, Hiroshi; Okubo, Tsuyoshi; Kawamura, Hikaru

    2012-08-03

    Motivated by the recent experiment on kagome-lattice antiferromagnets, we study the zero-field ordering behavior of the antiferromagnetic classical Heisenberg model on a uniaxially distorted kagome lattice by Monte Carlo simulations. A first-order transition, which has no counterpart in the corresponding undistorted model, takes place at a very low temperature. The origin of the transition is ascribed to a cooperative proliferation of topological excitations inherent to the model.

  5. MODELLING, SIMULATING AND OPTIMIZING BOILERS

    DEFF Research Database (Denmark)

    Sørensen, K.; Condra, T.; Houbak, Niels

    2003-01-01

    This paper describes the modelling, simulating and optimizing including experimental verification as being carried out as part of a Ph.D. project being written resp. supervised by the authors. The work covers dynamic performance of both water-tube boilers and fire tube boilers. A detailed dynamic...... model of the boiler has been developed and simulations carried out by means of the Matlab integration routines. The model is prepared as a dynamic model consisting of both ordinary differential equations and algebraic equations, together formulated as a Differential-Algebraic-Equation system. Being able...... to operate a boiler plant dynamically means that the boiler designs must be able to absorb any fluctuations in water level and temperature gradients resulting from the pressure change in the boiler. On the one hand a large water-/steam space may be required, i.e. to build the boiler as big as possible. Due...

  6. Transition Heat Transfer Modeling Based on the Characteristics of Turbulent Spots

    Science.gov (United States)

    Simon, Fred; Boyle, Robert

    1998-01-01

    While turbulence models are being developed which show promise for simulating the transition region on a turbine blade or vane, it is believed that the best approach with the greatest potential for practical use is the use of models which incorporate the physics of turbulent spots present in the transition region. This type of modeling results in the prediction of transition region intermittency which when incorporated in turbulence models give a good to excellent prediction of the transition region heat transfer. Some models are presented which show how turbulent spot characteristics and behavior can be employed to predict the effect of pressure gradient and Mach number on the transition region. The models predict the spot formation rate which is needed, in addition to the transition onset location, in the Narasimha concentrated breakdown intermittency equation. A simplified approach is taken for modeling turbulent spot growth and interaction in the transition region which utilizes the turbulent spot variables governing transition length and spot generation rate. The models are expressed in terms of spot spreading angle, dimensionless spot velocity, dimensionless spot area, disturbance frequency and Mach number. The models are used in conjunction with a computer code to predict the effects of pressure gradient and Mach number on the transition region and compared with VKI experimental turbine data.

  7. Validation of a RANS transition model using a high-order weighted compact nonlinear scheme

    Science.gov (United States)

    Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang

    2013-04-01

    A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.

  8. Intelligent Mobility Modeling and Simulation

    Science.gov (United States)

    2015-03-04

    cog.cs.drexel.edu/act-r/index.html) •Models sensory / motor performance of human driver or teleoperator 27UNCLASSIFIED: Distribution Statement A. Approved for...U.S. ARMY TANK AUTOMOTIVE RESEARCH, DEVELOPMENT AND ENGINEERING CENTER Intelligent Mobility Modeling and Simulation 1 Dr. P. Jayakumar, S. Arepally...Prescribed by ANSI Std Z39-18 Contents 1. Mobility - Autonomy - Latency Relationship 2. Machine - Human Partnership 3. Development of Shared Control

  9. Transition study of 3D aerodynamic configures using improved transport equations modeling

    Directory of Open Access Journals (Sweden)

    Xu Jiakuan

    2016-08-01

    Full Text Available As boundary layer transition plays an important role in aerodynamic drag prediction, the proposal and study of transition prediction methods simulating the complex flow phenomena are prerequisite for aerodynamic design. In this paper, with the application of the linear stability theory based on amplification factor transport transition equations on the two-equation shear stress transport (SST eddy-viscosity model, a new method, the SST-NTS-NCF model, is yielded. The new amplification factor transport equation for the crossflow instability induced transition is proposed to add to the NTS equation proposed by Coder, which simulates Tollmien–Schlichting wave transition. The turbulent kinetic energy equation is modified by introducing a new source term that simulates the transition process without the intermittency factor equation. Finally, coupled with these two amplification factor transport equations and SST turbulence model, a four-equation transition turbulence model is built. Comparisons between predictions using the new model and wind-tunnel experiments of NACA64(2A015, NLF(2-0415 and ONERA-D infinite swept wing and ONERA-M6 swept wing validate the predictive quality of the new SST-NTS-NCF model.

  10. Transition study of 3D aerodynamic configures using improved transport equations modeling

    Institute of Scientific and Technical Information of China (English)

    Xu Jiakuan; Bai Junqiang; Zhang Yang; Qiao Lei

    2016-01-01

    As boundary layer transition plays an important role in aerodynamic drag prediction, the proposal and study of transition prediction methods simulating the complex flow phenomena are prerequisite for aerodynamic design. In this paper, with the application of the linear stability theory based on amplification factor transport transition equations on the two-equation shear stress transport (SST) eddy-viscosity model, a new method, the SST-NTS-NCF model, is yielded. The new amplification factor transport equation for the crossflow instability induced transition is proposed to add to the NTS equation proposed by Coder, which simulates Tollmien–Schlichting wave tran-sition. The turbulent kinetic energy equation is modified by introducing a new source term that sim-ulates the transition process without the intermittency factor equation. Finally, coupled with these two amplification factor transport equations and SST turbulence model, a four-equation transition turbulence model is built. Comparisons between predictions using the new model and wind-tunnel experiments of NACA64(2)A015, NLF(2)-0415 and ONERA-D infinite swept wing and ONERA-M6 swept wing validate the predictive quality of the new SST-NTS-NCF model.

  11. Simulating transitional hydrodynamics of the cerebrospinal fluid at extreme scale

    Science.gov (United States)

    Jain, Kartik; Roller, Sabine; Mardal, Kent-Andre

    Chiari malformation type I is a disorder characterized by the herniation of cerebellar tonsils into the spinal canal through the foramen magnum resulting in obstruction to cerebrospinal fluid (CSF) outflow. The flow of pulsating bidirectional CSF is of acutely complex nature due to the anatomy of the conduit containing it - the subarachnoid space. We report lattice Boltzmann method based direct numerical simulations on patient specific cases with spatial resolution of 24 μm amounting meshes of up to 2 billion cells conducted on 50000 cores of the Hazelhen supercomputer in Stuttgart. The goal is to characterize intricate dynamics of the CSF at resolutions that are of the order of Kolmogorov microscales. Results unfold velocity fluctuations up to ~ 10 KHz , turbulent kinetic energy ~ 2 times of the mean flow energy in Chiari patients whereas the flow remains laminar in a control subject. The fluctuations confine near the cranio-vertebral junction and are commensurate with the extremeness of pathology and the extent of herniation. The results advocate that the manifestation of pathological conditions like Chiari malformation may lead to transitional hydrodynamics of the CSF, and a prudent calibration of numerical approach is necessary to avoid overlook of such phenomena.

  12. MODELLING, SIMULATING AND OPTIMIZING BOILERS

    DEFF Research Database (Denmark)

    Sørensen, Kim; Condra, Thomas Joseph; Houbak, Niels

    2004-01-01

    on the boiler) have been dened. Furthermore a number of constraints related to: minimum and maximum boiler load gradient, minimum boiler size, Shrinking and Swelling and Steam Space Load have been dened. For dening the constraints related to the required boiler volume a dynamic model for simulating the boiler...... performance has been developed. Outputs from the simulations are shrinking and swelling of water level in the drum during for example a start-up of the boiler, these gures combined with the requirements with respect to allowable water level uctuations in the drum denes the requirements with respect to drum...... size. The model has been formulated with a specied building-up of the pressure during the start-up of the plant, i.e. the steam production during start-up of the boiler is output from the model. The steam outputs together with requirements with respect to steam space load have been utilized to dene...

  13. Modeling and Simulation of Nanoindentation

    Science.gov (United States)

    Huang, Sixie; Zhou, Caizhi

    2017-08-01

    Nanoindentation is a hardness test method applied to small volumes of material which can provide some unique effects and spark many related research activities. To fully understand the phenomena observed during nanoindentation tests, modeling and simulation methods have been developed to predict the mechanical response of materials during nanoindentation. However, challenges remain with those computational approaches, because of their length scale, predictive capability, and accuracy. This article reviews recent progress and challenges for modeling and simulation of nanoindentation, including an overview of molecular dynamics, the quasicontinuum method, discrete dislocation dynamics, and the crystal plasticity finite element method, and discusses how to integrate multiscale modeling approaches seamlessly with experimental studies to understand the length-scale effects and microstructure evolution during nanoindentation tests, creating a unique opportunity to establish new calibration procedures for the nanoindentation technique.

  14. Multiscale Stochastic Simulation and Modeling

    Energy Technology Data Exchange (ETDEWEB)

    James Glimm; Xiaolin Li

    2006-01-10

    Acceleration driven instabilities of fluid mixing layers include the classical cases of Rayleigh-Taylor instability, driven by a steady acceleration and Richtmyer-Meshkov instability, driven by an impulsive acceleration. Our program starts with high resolution methods of numerical simulation of two (or more) distinct fluids, continues with analytic analysis of these solutions, and the derivation of averaged equations. A striking achievement has been the systematic agreement we obtained between simulation and experiment by using a high resolution numerical method and improved physical modeling, with surface tension. Our study is accompanies by analysis using stochastic modeling and averaged equations for the multiphase problem. We have quantified the error and uncertainty using statistical modeling methods.

  15. Exploring the QCD phase transition in core collapse supernova simulations in spherical symmetry

    CERN Document Server

    Fischery, T; Hempelz, M; Pagliaraz, G; Schaffner-Bielichz, J; Mezzacappa, A; Thielemanny, F -K; Liebendorfer, M

    2010-01-01

    For finite chemical potential effective models of QCD predict a first order phase transition. In favour for the search of such a phase transition in nature, we construct an equation of state for strange quark matter based on the MIT bag model. We apply this equation of state to highly asymmetric core collapse supernova matter with finite temperatures and large baryon densities. The phase transition is constructed using the general Gibbs conditions, which results in an extended coexistence region between the pure hadronic and pure quark phases in the phase diagram, i.e. the mixed phase. The supernovae are simulated via general relativistic radiation hydrodynamics based on three flavor Boltzmann neutrino transport in spherical symmetry. During the dynamical evolution temperatures above 10 MeV, baryon densities above nuclear saturation density and a proton-to-baryon ratio below 0.2 are obtained. At these conditions the phase transition is triggered which leads to a significant softening of the EoS for matter in ...

  16. Numerical simulation of dune-flat bed transition and stage-discharge relationship with hysteresis effect

    Science.gov (United States)

    Shimizu, Y.; Giri, S.; Yamaguchi, S.; Nelson, Jack L.

    2009-01-01

    This work presents recent advances on morphodynamic modeling of bed forms under unsteady discharge. This paper includes further development of a morphodynamic model proposed earlier by Giri and Shimizu (2006a). This model reproduces the temporal development of river dunes and accurately replicates the physical properties associated with bed form evolution. Model results appear to provide accurate predictions of bed form geometry and form drag over bed forms for arbitrary steady flows. However, accurate predictions of temporal changes of form drag are key to the prediction of stage-discharge relation during flood events. Herein, the model capability is extended to replicate the dune-flat bed transition, and in turn, the variation of form drag produced by the temporal growth or decay of bed forms under unsteady flow conditions. Some numerical experiments are performed to analyze hysteresis of the stage-discharge relationship caused by the transition between dune and flat bed regimes during rising and falling stages of varying flows. The numerical model successfully simulates dune-flat bed transition and the associated hysteresis of the stage-discharge relationship; this is in good agreement with physical observations but has been treated in the past only using empirical methods. A hypothetical relationship for a sediment parameter (the mean step length) is proposed to a first level of approximation that enables reproduction of the dune-flat bed transition. The proposed numerical model demonstrates its ability to address an important practical problem associated with bed form evolution and flow resistance in varying flows. Copyright 2009 by the American Geophysical Union.

  17. Dynamical Transition of Myoglobin and Cu/Zn Superoxide Dismutase Revealed by Molecular Dynamics Simulation

    Institute of Scientific and Technical Information of China (English)

    张莉莉; 张建华; 周林祥

    2002-01-01

    We have carried out parallel molecular dynamics simulations of solvated and non-solvated myoglobin and solvated Cu/Zn superoxide dismutase at different temperatures. By analysis of several methods, the simulations reproduce the quasielastic neutron scattering experimental results. Below 200 K these two proteins behave as harmonic solids with essentially only vibrational motion, while above this temperature, there is a striking dynamic transition into anharmonic motion. Moreover, the simulations further show that water molecules play an important role for this dynamical transition. There is no such sharp dynamical transition in non-solvated proteins and the higher the solvate density is, the steeper at transition point the curve of mean square displacement versus temperature will be. The simulations also display that the dynamical transition is a general property for globular protein and this transition temperature is a demarcation of enzyme activity.

  18. Microbial Growth Modeling and Simulation Based on Cellular Automata

    Directory of Open Access Journals (Sweden)

    Hong Men

    2013-07-01

    Full Text Available In order to simulate the micro-evolutionary process of the microbial growth, [Methods] in this study, we adopt two-dimensional cellular automata as its growth space. Based on evolutionary mechanism of microbial and cell-cell interactions, we adopt Moore neighborhood and make the transition rules. Finally, we construct the microbial growth model. [Results] It can describe the relationships among the cell growth, division and death. And also can effectively reflect spatial inhibition effect and substrate limitation effect. [Conclusions] The simulation results show that CA model is not only consistent with the classic microbial kinetic model, but also be able to simulate the microbial growth and evolution.

  19. A new model for broadband waveguide to microstrip transition design

    Science.gov (United States)

    Ponchak, George E.; Downey, Alan N.

    1986-01-01

    A new model is presented which permits the prediction of the resonant frequencies created by antipodal finline waveguide to microstrip transitions. The transition is modeled as a tapered transmission line in series with an infinite set of coupled resonant circuits. The resonant circuits are modeled as simple microwave resonant cavities of which the resonant frequencies are easily determined. The model is developed and the resonant frequencies determined for several different transitions. Experimental results are given to confirm the models.

  20. Assessment of Molecular Modeling & Simulation

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-01-03

    This report reviews the development and applications of molecular and materials modeling in Europe and Japan in comparison to those in the United States. Topics covered include computational quantum chemistry, molecular simulations by molecular dynamics and Monte Carlo methods, mesoscale modeling of material domains, molecular-structure/macroscale property correlations like QSARs and QSPRs, and related information technologies like informatics and special-purpose molecular-modeling computers. The panel's findings include the following: The United States leads this field in many scientific areas. However, Canada has particular strengths in DFT methods and homogeneous catalysis; Europe in heterogeneous catalysis, mesoscale, and materials modeling; and Japan in materials modeling and special-purpose computing. Major government-industry initiatives are underway in Europe and Japan, notably in multi-scale materials modeling and in development of chemistry-capable ab-initio molecular dynamics codes.

  1. Animal models for simulating weightlessness

    Science.gov (United States)

    Morey-Holton, E.; Wronski, T. J.

    1982-01-01

    NASA has developed a rat model to simulate on earth some aspects of the weightlessness alterations experienced in space, i.e., unloading and fluid shifts. Comparison of data collected from space flight and from the head-down rat suspension model suggests that this model system reproduces many of the physiological alterations induced by space flight. Data from various versions of the rat model are virtually identical for the same parameters; thus, modifications of the model for acute, chronic, or metabolic studies do not alter the results as long as the critical components of the model are maintained, i.e., a cephalad shift of fluids and/or unloading of the rear limbs.

  2. Velocity mode transition of dynamic crack propagation in hyperviscoelastic materials: A continuum model study.

    Science.gov (United States)

    Kubo, Atsushi; Umeno, Yoshitaka

    2017-02-10

    Experiments of crack propagation in rubbers have shown that a discontinuous jump of crack propagation velocity can occur as energy release rate increases, which is known as the "mode transition" phenomenon. Although it is believed that the mode transition is strongly related to the mechanical properties, the nature of the mode transition had not been revealed. In this study, dynamic crack propagation on an elastomer was investigated using the finite element method (FEM) with a hyperviscoelastic material model. A series of pure shear test was carried out numerically with FEM simulations and crack velocities were measured under various values of tensile strain. As a result, our FEM simulations successfully reproduced the mode transition. The success of realising the mode transition phenomenon by a simple FEM model, which was achieved for the first time ever, helped to explain that the phenomenon occurs owing to a characteristic non-monotonic temporal development of principal stress near the crack tip.

  3. Simulation of transition radiation and electron identification ability of the ATLAS TRT

    DEFF Research Database (Denmark)

    Klinkby, Esben Bryndt

    2013-01-01

    The Transition Radiation Tracker (TRT) is the outer most tracking detector of the ATLAS experiment. In addition as functioning as atracking detector, it is capable of providing particle identification information through the emission and subsequent absorption and detection of transition radiation....... Below the effort of simulating transition radiation production and detector response is discussed, with emphasis on the data/simulation agreement and tuning. © 2012 CERN. Published by Elsevier B.V. All rights reserved....

  4. Interpretation of toughness tests performed on A533, grade B steel in the transition regime. Modelling and numerical analysis; Interpretation des essais de tenacite de l`acier A533, grade B dans le domaine de la transition fragile-ductile. Simulation numerique et modelisation

    Energy Technology Data Exchange (ETDEWEB)

    Eripret, C.

    1994-01-01

    Modelling the fracture behaviour of pressure vessel steels is of major importance for related structural integrity assessments. It is essential to understand how the micromechanisms control the transition between ductile and brittle fracture for predicting geometry effects on transition temperature. To meet this goal, a model has been developed at EDF/R and DD in the framework of local approach to fracture. Its experimental validation has been achieved by analysing toughness tests performed by AEA Technology for a pressure vessel steel in the transition regime. This large data base has evidenced the specimen thickness effects on toughness properties of the material, as well as influence of prior ductile crack growth. Predictions of the model have been compared with experiments, which shows that the transition curve K{sub 1C} = f (T) can be drawn from model predictions and compared with the RCCM or ASME design curve. Substantial safety margins have been exhibited. They are greater for thin specimens (10 mm) than for thicker specimens (230 mm). However, the transition curve in the upper transition region is still underestimated by the model (for temperatures higher than RTNDT + 50 deg C). Improvement should be made to account for important plasticity development and significant crack growth. (author). 30 figs., 10 tabs., 12 refs.

  5. Utilizing Direct Numerical Simulations of Transition and Turbulence in Design Optimization

    Science.gov (United States)

    Rai, Man M.

    2015-01-01

    Design optimization methods that use the Reynolds-averaged Navier-Stokes equations with the associated turbulence and transition models, or other model-based forms of the governing equations, may result in aerodynamic designs with actual performance levels that are noticeably different from the expected values because of the complexity of modeling turbulence/transition accurately in certain flows. Flow phenomena such as wake-blade interaction and trailing edge vortex shedding in turbines and compressors (examples of such flows) may require a computational approach that is free of transition/turbulence models, such as direct numerical simulations (DNS), for the underlying physics to be computed accurately. Here we explore the possibility of utilizing DNS data in designing a turbine blade section. The ultimate objective is to substantially reduce differences between predicted performance metrics and those obtained in reality. The redesign of a typical low-pressure turbine blade section with the goal of reducing total pressure loss in the row is provided as an example. The basic ideas presented here are of course just as applicable elsewhere in aerodynamic shape optimization as long as the computational costs are not excessive.

  6. Simulation Tool for Inventory Models: SIMIN

    OpenAIRE

    Pratiksha Saxen; Tulsi Kushwaha

    2014-01-01

    In this paper, an integrated simulation optimization model for the inventory system is developed. An effective algorithm is developed to evaluate and analyze the back-end stored simulation results. This paper proposes simulation tool SIMIN (Inventory Simulation) to simulate inventory models. SIMIN is a tool which simulates and compares the results of different inventory models. To overcome various practical restrictive assumptions, SIMIN provides values for a number of performance measurement...

  7. VISION: Verifiable Fuel Cycle Simulation Model

    Energy Technology Data Exchange (ETDEWEB)

    Jacob J. Jacobson; Abdellatif M. Yacout; Gretchen E. Matthern; Steven J. Piet; David E. Shropshire

    2009-04-01

    The nuclear fuel cycle is a very complex system that includes considerable dynamic complexity as well as detail complexity. In the nuclear power realm, there are experts and considerable research and development in nuclear fuel development, separations technology, reactor physics and waste management. What is lacking is an overall understanding of the entire nuclear fuel cycle and how the deployment of new fuel cycle technologies affects the overall performance of the fuel cycle. The Advanced Fuel Cycle Initiative’s systems analysis group is developing a dynamic simulation model, VISION, to capture the relationships, timing and delays in and among the fuel cycle components to help develop an understanding of how the overall fuel cycle works and can transition as technologies are changed. This paper is an overview of the philosophy and development strategy behind VISION. The paper includes some descriptions of the model and some examples of how to use VISION.

  8. Energy modelling for economies in transition

    Energy Technology Data Exchange (ETDEWEB)

    Van Leeuwen, M.L.; Velthuijsen, J.W. [Foundation for Economic Research SEO, University of Amsterdam UvA, Amsterdam (Netherlands); Van Oostvoorn, F.; Voogt, M. [ECN Policy Study, Petten (Netherlands)

    1998-12-31

    The model system composed of a Computable General Equilibrium (CGE) E3 model and the least-cost energy sector model Energy Flow Optimization Model - Environment (EFOM-ENV) proved to be a useful support in developing long-term scenarios for several Central European and Eastern European (CEE) countries. Calculation results obtained from using the model.system could be used to support energy policy decisions in the framework of different possible future developments in energy demand and supply and related emissions, which is also consistent with macro-economic developments in the national economies. Also, and most important, the developments within the national (transition) economy could be made consistent with external developments (on a world and European Union (EU) level) that are envisioned in EC-scenarios. This facilitates the analysis of an increasing convergence process of different CEE countries towards the EU and could be useful in the policy dialogue on convergence. Empirical studies with the model system have shown that the interrelations between macro-economic indicators and important factors determining energy supply and demand could be dealt with in a transparent way. An assessment could be made of the impact of changes in economic structure, employment rate, trade balance, social security and public spending on the structure of energy demand, fuel mix, capacity requirements and related energy costs, and vice versa. Specific policy issues such as a restructuring of the Polish coal industry or determining the scope for CO2 reduction in Romania could be addressed and instruments could be identified to encounter these issues. Especially for policy makers in transition economies who are faced with many interactive changes, it is important to have a realistic insight in the scope and restrictions of future policy. Ambitions are often very high, but reaching certain objectives could be conflicting with others. Results obtained from calculations with the model

  9. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Yuqi; Wang, Jinan; Shao, Qiang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn; Zhu, Weiliang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn [ACS Key Laboratory of Receptor Research, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); Shi, Jiye, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn [UCB Pharma, 216 Bath Road, Slough SL1 4EN (United Kingdom)

    2015-03-28

    The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much less computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.

  10. Standard for Models and Simulations

    Science.gov (United States)

    Steele, Martin J.

    2016-01-01

    This NASA Technical Standard establishes uniform practices in modeling and simulation to ensure essential requirements are applied to the design, development, and use of models and simulations (MS), while ensuring acceptance criteria are defined by the program project and approved by the responsible Technical Authority. It also provides an approved set of requirements, recommendations, and criteria with which MS may be developed, accepted, and used in support of NASA activities. As the MS disciplines employed and application areas involved are broad, the common aspects of MS across all NASA activities are addressed. The discipline-specific details of a given MS should be obtained from relevant recommended practices. The primary purpose is to reduce the risks associated with MS-influenced decisions by ensuring the complete communication of the credibility of MS results.

  11. CAFE simulation of columnar-to-equiaxed transition in Al-7wt%Si alloys directionally solidified under microgravity

    Science.gov (United States)

    Liu, D. R.; Mangelinck-Noël, N.; Gandin, Ch-A.; Zimmermann, G.; Sturz, L.; Nguyen Thi, H.; Billia, B.

    2016-03-01

    A two-dimensional multi-scale cellular automaton - finite element (CAFE) model is used to simulate grain structure evolution and microsegregation formation during solidification of refined Al-7wt%Si alloys under microgravity. The CAFE simulations are first qualitatively compared with the benchmark experimental data under microgravity. Qualitative agreement is obtained for the position of columnar to equiaxed transition (CET) and the CET transition mode (sharp or progressive). Further comparisons of the distributions of grain elongation factor and equivalent diameter are conducted and reveal a fair quantitative agreement.

  12. Improving the efficiency of Monte Carlo simulations of systems that undergo temperature-driven phase transitions

    Science.gov (United States)

    Velazquez, L.; Castro-Palacio, J. C.

    2013-07-01

    Recently, Velazquez and Curilef proposed a methodology to extend Monte Carlo algorithms based on a canonical ensemble which aims to overcome slow sampling problems associated with temperature-driven discontinuous phase transitions. We show in this work that Monte Carlo algorithms extended with this methodology also exhibit a remarkable efficiency near a critical point. Our study is performed for the particular case of a two-dimensional four-state Potts model on a square lattice with periodic boundary conditions. This analysis reveals that the extended version of Metropolis importance sampling is more efficient than the usual Swendsen-Wang and Wolff cluster algorithms. These results demonstrate the effectiveness of this methodology to improve the efficiency of MC simulations of systems that undergo any type of temperature-driven phase transition.

  13. PyTransit: Fast and Easy Exoplanet Transit Modelling in Python

    CERN Document Server

    Parviainen, Hannu

    2015-01-01

    We present a fast and user friendly exoplanet transit light curve modelling package PyTransit, implementing optimised versions of the Gimen\\'ez and the Mandel & Agol transit models. The package offers an object-oriented Python interface to access the two models implemented natively in Fortran with OpenMP parallelisation. A partial OpenCL version of the quadratic Mandel-Agol model is also included for GPU-accelerated computations. The aim of PyTransit is to facilitate the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of datapoints, and of multi-passband transit light curves from spectrophotometric observations, as a part of a researcher's programming toolkit for building complex, problem-specific, analyses.

  14. Model for Simulation Atmospheric Turbulence

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik

    1976-01-01

    A method that produces realistic simulations of atmospheric turbulence is developed and analyzed. The procedure makes use of a generalized spectral analysis, often called a proper orthogonal decomposition or the Karhunen-Loève expansion. A set of criteria, emphasizing a realistic appearance, a co....... The method is unique in modeling the three velocity components simultaneously, and it is found that important cross-statistical features are reasonably well-behaved. It is concluded that the model provides a practical, operational simulator of atmospheric turbulence.......A method that produces realistic simulations of atmospheric turbulence is developed and analyzed. The procedure makes use of a generalized spectral analysis, often called a proper orthogonal decomposition or the Karhunen-Loève expansion. A set of criteria, emphasizing a realistic appearance......, a correct spectral shape, and non-Gaussian statistics, is selected in order to evaluate the model turbulence. An actual turbulence record is analyzed in detail providing both a standard for comparison and input statistics for the generalized spectral analysis, which in turn produces a set of orthonormal...

  15. Weak first-order orientational transition in the Lebwohl-Lasher model for liquid crystals

    DEFF Research Database (Denmark)

    Zhang, Zhengping; Mouritsen, Ole G.; Zuckermann, Martin J.

    1992-01-01

    The nature of the orientational phase transition in the three-dimensional Lebwohl-Lasher model of liquid crystals has been studied by computer simulation using reweighting techniques and finite-size scaling analysis. Unambiguous numerical evidence is found in favor of a weak first-order transition...... and the presence of pseudospinodal points, T±*, which are extremely close to the equilibrium transition temperature, ‖Tc-T±*‖/Tc≲0.5×10-3, in good agreement with experimental data for the nematic-isotropic transition....

  16. The glass transition and diffusion in simulated liquid TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Vo Van Hoang [Department of Physics, Institute of Technology, National University of HochiMinh City, 268 Ly Thuong Kiet Street, District 10, HochiMinh City (Viet Nam)

    2007-10-17

    The glass transition and diffusion in liquid TiO{sub 2} have been studied in a model containing 3000 atoms via molecular dynamics (MD) simulation. The density dependence of the glass transition temperature, T{sub g}, of liquid TiO{sub 2} has been found and is discussed. Diffusion of atomic species in 3.80 g cm{sup -3} TiO{sub 2} models has been investigated over a wide temperature range from 2100 to 7000 K. We found that the temperature dependence of the diffusion constant of atomic species follows an Arrhenius law at relatively low temperatures above the melting point, and at higher temperatures it deviates from an Arrhenius law. Differences between the structures of amorphous TiO{sub 2} models at three different densities in the range from 3.80 to 4.20 g cm{sup -3} have been found and are discussed. In addition, a transition from a low-density liquid (ldl) form to a high-density liquid (hdl) form was found and is discussed.

  17. The Transiting Exoplanet Survey Satellite: Simulations of planet detections and astrophysical false positives

    CERN Document Server

    Sullivan, Peter W; Berta-Thompson, Zachory K; Charbonneau, David; Deming, Drake; Dressing, Courtney D; Latham, David W; Levine, Alan M; McCullough, Peter R; Morton, Timothy; Ricker, George R; Vanderspek, Roland; Woods, Deborah

    2015-01-01

    The Transiting Exoplanet Survey Satellite (TESS) is a NASA-sponsored Explorer mission that will perform a wide-field survey for planets that transit bright host stars. Here, we predict the properties of the transiting planets that TESS will detect along with the eclipsing binary stars that produce false-positive photometric signals. The predictions are based on Monte Carlo simulations of the nearby population of stars, occurrence rates of planets derived from Kepler, and models for the photometric performance and sky coverage of the TESS cameras. We expect that TESS will find approximately 1700 transiting planets from 200,000 pre-selected target stars. This includes 556 planets smaller than twice the size of Earth, of which 419 are hosted by M dwarf stars and 137 are hosted by FGK dwarfs. Approximately 130 of the R < 2 R_Earth planets will have host stars brighter than K = 9. Approximately 48 of the planets with R < 2 R_Earth lie within or near the habitable zone (0.2 < S/S_Earth < 2), and between...

  18. Phase transitions in Thirring’s model

    Science.gov (United States)

    Campa, Alessandro; Casetti, Lapo; Latella, Ivan; Pérez-Madrid, Agustín; Ruffo, Stefano

    2016-07-01

    In his pioneering work on negative specific heat, Walter Thirring introduced a model that is solvable in the microcanonical ensemble. Here, we give a complete description of the phase-diagram of this model in both the microcanonical and the canonical ensemble, highlighting the main features of ensemble inequivalence. In both ensembles, we find a line of first-order phase transitions which ends in a critical point. However, neither the line nor the point have the same location in the phase-diagram of the two ensembles. We also show that the microcanonical and canonical critical points can be analytically related to each other using a Landau expansion of entropy and free energy, respectively, in analogy with what has been done in (Cohen and Mukamel 2012 J. Stat. Mech. P12017). Examples of systems with certain symmetries restricting the Landau expansion have been considered in this reference, while no such restrictions are present in Thirring’s model. This leads to a phase diagram that can be seen as a prototype for what happens in systems of particles with kinematic degrees of freedom dominated by long-range interactions.

  19. PNet: A Python Library for Petri Net Modeling and Simulation

    Directory of Open Access Journals (Sweden)

    Zhu En Chay

    2016-07-01

    Full Text Available Petri Net is a formalism to describe changes between 2 or more states across discrete time and has been used to model many systems. We present PNet – a pure Python library for Petri Net modeling and simulation in Python programming language. The design of PNet focuses on reducing the learning curve needed to define a Petri Net by using a text-based language rather than programming constructs to define transition rules. Complex transition rules can be refined as regular Python functions. To demonstrate the simplicity of PNet, we present 2 examples – bread baking, and epidemiological models.

  20. Vertex stability and topological transitions in vertex models of foams and epithelia

    CERN Document Server

    Spencer, Meryl A; Lubensky, David K

    2016-01-01

    In computer simulations of dry foams and of epithelial tissues, vertex models are often used to describe the shape and motion of individual cells. Although these models have been widely adopted, relatively little is known about their basic theoretical properties. For example, while fourfold vertices in real foams are always unstable, it remains unclear whether a simplified vertex model description has the same behavior. Here, we study vertex stability and the dynamics of T1 topological transitions in vertex models. We show that, when all edges have the same tension, stationary fourfold vertices in these models do indeed always break up. In contrast, when tensions are allowed to depend on edge orientation, fourfold vertices can become stable, as is observed in some biological systems. More generally, our formulation of vertex stability leads to an improved treatment of T1 transitions in simulations and paves the way for studies of more biologically realistic models that couple topological transitions to the dy...

  1. Dynamical phase transition in a simple model of competing shops

    CERN Document Server

    Lambert, Gaultier; Bertin, Eric

    2011-01-01

    We consider a simple model in which a set of agents randomly visit one of two competing shops selling the same perishable products (typically food). The satisfaction of agents with respect to a given store is related to the freshness of the previously bought products. Agents then choose with a higher probability the store they are most satisfied with. Studying the model both through numerical simulations and mean-field analytical methods, we find a rich behaviour with continuous and discontinuous phase transitions between a symmetric phase where both stores maintain the same level of activity, and a phase with broken symmetry where one of the two shops attracts more customers than the other.

  2. Advances in Intelligent Modelling and Simulation Simulation Tools and Applications

    CERN Document Server

    Oplatková, Zuzana; Carvalho, Marco; Kisiel-Dorohinicki, Marek

    2012-01-01

    The human capacity to abstract complex systems and phenomena into simplified models has played a critical role in the rapid evolution of our modern industrial processes and scientific research. As a science and an art, Modelling and Simulation have been one of the core enablers of this remarkable human trace, and have become a topic of great importance for researchers and practitioners. This book was created to compile some of the most recent concepts, advances, challenges and ideas associated with Intelligent Modelling and Simulation frameworks, tools and applications. The first chapter discusses the important aspects of a human interaction and the correct interpretation of results during simulations. The second chapter gets to the heart of the analysis of entrepreneurship by means of agent-based modelling and simulations. The following three chapters bring together the central theme of simulation frameworks, first describing an agent-based simulation framework, then a simulator for electrical machines, and...

  3. Verifying and Validating Simulation Models

    Energy Technology Data Exchange (ETDEWEB)

    Hemez, Francois M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-02-23

    This presentation is a high-level discussion of the Verification and Validation (V&V) of computational models. Definitions of V&V are given to emphasize that “validation” is never performed in a vacuum; it accounts, instead, for the current state-of-knowledge in the discipline considered. In particular comparisons between physical measurements and numerical predictions should account for their respective sources of uncertainty. The differences between error (bias), aleatoric uncertainty (randomness) and epistemic uncertainty (ignorance, lack-of- knowledge) are briefly discussed. Four types of uncertainty in physics and engineering are discussed: 1) experimental variability, 2) variability and randomness, 3) numerical uncertainty and 4) model-form uncertainty. Statistical sampling methods are available to propagate, and analyze, variability and randomness. Numerical uncertainty originates from the truncation error introduced by the discretization of partial differential equations in time and space. Model-form uncertainty is introduced by assumptions often formulated to render a complex problem more tractable and amenable to modeling and simulation. The discussion concludes with high-level guidance to assess the “credibility” of numerical simulations, which stems from the level of rigor with which these various sources of uncertainty are assessed and quantified.

  4. Prediction of bypass transition with differential Reynolds stress models

    NARCIS (Netherlands)

    Westin, K.J.A.; Henkes, R.A.W.M.

    1998-01-01

    Boundary layer transition induced by high levels of free stream turbulence (FSl), so called bypass transition, can not be predicted with conventional stability calculations (e.g. the en-method). The use of turbulence models for transition prediction has shown some success for this type of flows, and

  5. Dynamical phase transitions in the two-dimensional ANNNI model

    Energy Technology Data Exchange (ETDEWEB)

    Barber, M.N.; Derrida, B.

    1988-06-01

    We study the phase diagram of the two-dimensional anisotropic next-nearest neighbor Ising (ANNNI) model by comparing the time evolution of two distinct spin configurations submitted to the same thermal noise. We clearly se several dynamical transitions between ferromagnetic, paramagnetic, antiphase, and floating phases. These dynamical transitions seem to occur rather close to the transition lines determined previously in the literature.

  6. Depinning transition and thermal fluctuations in the random-field Ising model.

    Science.gov (United States)

    Roters, L; Hucht, A; Lübeck, S; Nowak, U; Usadel, K D

    1999-11-01

    We analyze the depinning transition of a driven interface in the three-dimensional (3D) random field Ising model (RFIM) with quenched disorder by means of Monte Carlo simulations. The interface initially built into the system is perpendicular to the [111] direction of a simple cubic lattice. We introduce an algorithm which is capable of simulating such an interface independent of the considered dimension and time scale. This algorithm is applied to the 3D RFIM to study both the depinning transition and the influence of thermal fluctuations on this transition. It turns out that in the RFIM characteristics of the depinning transition depend crucially on the existence of overhangs. Our analysis yields critical exponents of the interface velocity, the correlation length, and the thermal rounding of the transition. We find numerical evidence for a scaling relation for these exponents and the dimension d of the system.

  7. Extinction phase transitions in a model of ecological and evolutionary dynamics

    Science.gov (United States)

    Barghathi, Hatem; Tackkett, Skye; Vojta, Thomas

    2017-07-01

    We study the non-equilibrium phase transition between survival and extinction of spatially extended biological populations using an agent-based model. We especially focus on the effects of global temporal fluctuations of the environmental conditions, i.e., temporal disorder. Using large-scale Monte-Carlo simulations of up to 3 × 107 organisms and 105 generations, we find the extinction transition in time-independent environments to be in the well-known directed percolation universality class. In contrast, temporal disorder leads to a highly unusual extinction transition characterized by logarithmically slow population decay and enormous fluctuations even for large populations. The simulations provide strong evidence for this transition to be of exotic infinite-noise type, as recently predicted by a renormalization group theory. The transition is accompanied by temporal Griffiths phases featuring a power-law dependence of the life time on the population size.

  8. MODELLING, SIMULATING AND OPTIMIZING BOILERS

    DEFF Research Database (Denmark)

    Sørensen, Kim; Condra, Thomas Joseph; Houbak, Niels

    2004-01-01

    on the boiler) have been dened. Furthermore a number of constraints related to: minimum and maximum boiler load gradient, minimum boiler size, Shrinking and Swelling and Steam Space Load have been dened. For dening the constraints related to the required boiler volume a dynamic model for simulating the boiler...... size. The model has been formulated with a specied building-up of the pressure during the start-up of the plant, i.e. the steam production during start-up of the boiler is output from the model. The steam outputs together with requirements with respect to steam space load have been utilized to dene...... of the boiler is (with an acceptable accuracy) proportional with the volume of the boiler. For the dynamic operation capability a cost function penalizing limited dynamic operation capability and vise-versa has been dened. The main idea is that it by mean of the parameters in this function is possible to t its...

  9. High fidelity simulation of nucleate boiling and transition to critical heat flux on enhanced structures

    Science.gov (United States)

    Yazdani, Miad; Alahyari, Abbas; Radcliff, Thomas; Soteriou, Marios

    2015-11-01

    Surface enhancement is often is the primary approach for improved heat transfer performance of two-phase thermal systems particularly when they operate in nucleate boiling regime. This paper exploits the modeling capability developed by Yazdani et al. for simulation of nucleate boiling and transition to critical heat flux to study the nucleation phenomenon on various enhanced structures. The multi-scale of two-phase flow associated with boiling phenomena is addressed through combination of deterministic CFD for the macro-scale transport, asymptotic based representation of micro-layer, and stochastic representation of surface roughness so as to allow a high-fidelity simulation of boiling on an arbitrary surface. In addition, given the excessive complexity of surface structures often used for enhancement of boiling heat transfer, a phase-field-based method is developed to generate the structures where the numerical parameters in the phase-field model determine the topology of a given structure. The ``generated'' structure is then embedded into the two-phase flow model through virtual boundary method for the boiling simulation. The model is validated against experimental data for the boiling curve and the critical heat flux as well as nucleation and bubble dynamics characteristics.

  10. Safety models incorporating graph theory based transit indicators.

    Science.gov (United States)

    Quintero, Liliana; Sayed, Tarek; Wahba, Mohamed M

    2013-01-01

    There is a considerable need for tools to enable the evaluation of the safety of transit networks at the planning stage. One interesting approach for the planning of public transportation systems is the study of networks. Network techniques involve the analysis of systems by viewing them as a graph composed of a set of vertices (nodes) and edges (links). Once the transport system is visualized as a graph, various network properties can be evaluated based on the relationships between the network elements. Several indicators can be calculated including connectivity, coverage, directness and complexity, among others. The main objective of this study is to investigate the relationship between network-based transit indicators and safety. The study develops macro-level collision prediction models that explicitly incorporate transit physical and operational elements and transit network indicators as explanatory variables. Several macro-level (zonal) collision prediction models were developed using a generalized linear regression technique, assuming a negative binomial error structure. The models were grouped into four main themes: transit infrastructure, transit network topology, transit route design, and transit performance and operations. The safety models showed that collisions were significantly associated with transit network properties such as: connectivity, coverage, overlapping degree and the Local Index of Transit Availability. As well, the models showed a significant relationship between collisions and some transit physical and operational attributes such as the number of routes, frequency of routes, bus density, length of bus and 3+ priority lanes.

  11. Large Eddy Simulation Of Gravitational Effects In Transitional And Turbulent Gas-Jet Diffusion Flames

    Science.gov (United States)

    Jaberi, Farhad A.; Givi, Peyman

    2003-01-01

    The influence of gravity on the spatial and the compositional structures of transitional and turbulent hydrocarbon diffusion flames are studies via large eddy simulation (LES) and direct numerical simulation (DNS) of round and planar jets. The subgrid-scale (SGS) closures in LES are based on the filtered mass density function (FMDF) methodology. The FMDF represents the joint probability density function (PDF) of the SGS scalars, and is obtained by solving its transport equation. The fundamental advantage of LES/FMDF is that it accounts for the effects of chemical reaction and buoyancy exactly. The methodology is employed for capturing some of the fundamental influences of gravity in equilibrium flames via realistic chemical kinetic schemes. Some preliminary investigation of the gravity effects in non-equilibrium flames is also conducted, but with idealized chemical kinetics models.

  12. Metal insulator transition and Froehlich conductivity in the Su-Schrieffer-Heeger model

    NARCIS (Netherlands)

    Michielsen, Kristel; Raedt, Hans De

    1996-01-01

    A quantum molecular dynamics technique is used to study the single-particle density of states, Drude weight, optical conductivity and flux quantization in the Su-Schrieffer-Heeger (SSH) model. Our simulation data show that the SSH model has a metal-insulator transition away from half-filling. In the

  13. Metal-insulator transition and Frohlich conductivity in the Su-Schrieffer-Heeger model

    NARCIS (Netherlands)

    Michielsen, K.F L; de Raedt, H.A.

    1996-01-01

    A quantum molecular dynamics technique is used to study the single-particle density of states, Drude weight, optical conductivity and flux quantization in the Su-Schrieffer-Heeger (SSH) model. Our simulation data show that the SSH model has a metal-insulator transition away from half-filling. In the

  14. The Nature of Massive Transition Galaxies in CANDELS, GAMA, and Cosmological Simulations

    CERN Document Server

    Pandya, Viraj; Somerville, Rachel S; Choi, Ena; Barro, Guillermo; Wuyts, Stijn; Taylor, Edward N; Behroozi, Peter; Kirkpatrick, Allison; Faber, Sandra M; Primack, Joel; Koo, David C; McIntosh, Daniel H; Kocevski, Dale; Bell, Eric F; Dekel, Avishai; Fang, Jerome J; Ferguson, Henry C; Grogin, Norman; Koekemoer, Anton M; Lu, Yu; Mantha, Kameswara; Mobasher, Bahram; Newman, Jeffrey; Pacifici, Camilla; Papovich, Casey; van der Wel, Arjen; Yesuf, Hassen M

    2016-01-01

    It is common practice to speak of a "green valley" that hosts galaxies whose colors are intermediate relative to those in the "blue cloud" and the "red sequence." In this study, we raise several questions about how galaxies might transition between the star-forming main sequence (SFMS) and varying "degrees of quiescence" from $z=3$ to $z\\sim0$. We develop a physically and statistically motivated definition of "transition galaxies" based on their uniquely intermediate specific star formation rates, which relieves ambiguities associated with color-based selections and allows us to more cleanly compare observations to theoretical models. Our analysis is focused on galaxies with stellar mass $M_*>10^{10}M_{\\odot}$, and is enabled by GAMA and CANDELS observations, a semi-analytic model (SAM) of galaxy formation, and a hydrodynamical simulation with state-of-the-art mechanical AGN feedback. In both the observations and the SAM, transition galaxies tend to have intermediate S\\'ersic indices, half-light radii, and su...

  15. Simulated annealing model of acupuncture

    Science.gov (United States)

    Shang, Charles; Szu, Harold

    2015-05-01

    The growth control singularity model suggests that acupuncture points (acupoints) originate from organizers in embryogenesis. Organizers are singular points in growth control. Acupuncture can cause perturbation of a system with effects similar to simulated annealing. In clinical trial, the goal of a treatment is to relieve certain disorder which corresponds to reaching certain local optimum in simulated annealing. The self-organizing effect of the system is limited and related to the person's general health and age. Perturbation at acupoints can lead a stronger local excitation (analogous to higher annealing temperature) compared to perturbation at non-singular points (placebo control points). Such difference diminishes as the number of perturbed points increases due to the wider distribution of the limited self-organizing activity. This model explains the following facts from systematic reviews of acupuncture trials: 1. Properly chosen single acupoint treatment for certain disorder can lead to highly repeatable efficacy above placebo 2. When multiple acupoints are used, the result can be highly repeatable if the patients are relatively healthy and young but are usually mixed if the patients are old, frail and have multiple disorders at the same time as the number of local optima or comorbidities increases. 3. As number of acupoints used increases, the efficacy difference between sham and real acupuncture often diminishes. It predicted that the efficacy of acupuncture is negatively correlated to the disease chronicity, severity and patient's age. This is the first biological - physical model of acupuncture which can predict and guide clinical acupuncture research.

  16. Uterine Contraction Modeling and Simulation

    Science.gov (United States)

    Liu, Miao; Belfore, Lee A.; Shen, Yuzhong; Scerbo, Mark W.

    2010-01-01

    Building a training system for medical personnel to properly interpret fetal heart rate tracing requires developing accurate models that can relate various signal patterns to certain pathologies. In addition to modeling the fetal heart rate signal itself, the change of uterine pressure that bears strong relation to fetal heart rate and provides indications of maternal and fetal status should also be considered. In this work, we have developed a group of parametric models to simulate uterine contractions during labor and delivery. Through analysis of real patient records, we propose to model uterine contraction signals by three major components: regular contractions, impulsive noise caused by fetal movements, and low amplitude noise invoked by maternal breathing and measuring apparatus. The regular contractions are modeled by an asymmetric generalized Gaussian function and least squares estimation is used to compute the parameter values of the asymmetric generalized Gaussian function based on uterine contractions of real patients. Regular contractions are detected based on thresholding and derivative analysis of uterine contractions. Impulsive noise caused by fetal movements and low amplitude noise by maternal breathing and measuring apparatus are modeled by rational polynomial functions and Perlin noise, respectively. Experiment results show the synthesized uterine contractions can mimic the real uterine contractions realistically, demonstrating the effectiveness of the proposed algorithm.

  17. A new algebraic transition model based on stress length function

    Science.gov (United States)

    Xiao, Meng-Juan; She, Zhen-Su

    2016-11-01

    Transition, as one of the two biggest challenges in turbulence research, is of critical importance for engineering application. For decades, the fundamental research seems to be unable to capture the quantitative details in real transition process. On the other hand, numerous empirical parameters in engineering transition models provide no unified description of the transition under varying physical conditions. Recently, we proposed a symmetry-based approach to canonical wall turbulence based on stress length function, which is here extended to describe the transition via a new algebraic transition model. With a multi-layer analytic form of the stress length function in both the streamwise and wall normal directions, the new model gives rise to accurate description of the mean field and friction coefficient, comparing with both the experimental and DNS results at different inlet conditions. Different types of transition process, such as the transition with varying incoming turbulence intensities or that with blow and suck disturbance, are described by only two or three model parameters, each of which has their own specific physical interpretation. Thus, the model enables one to extract physical information from both experimental and DNS data to reproduce the transition process, which may prelude to a new class of generalized transition model for engineering applications.

  18. On the solution, the critical exponents and the transition equation of the simple cubic three-dimensional Ising model

    NARCIS (Netherlands)

    Hoede, C.; Zandvliet, H.J.W.

    2008-01-01

    In a recent paper Hoede and Zandvliet introduced the concept of gauging on an equation. This enables the simulation of more complex Ising models by the simple quadratic model. The possibility of simulating the simple cubic model was defended by calculating a sequence of approximations to the transit

  19. Discontinuous phase transition in a multi-state majority-vote model

    CERN Document Server

    Li, Guofeng; Huang, Feng; Shen, Chuansheng

    2016-01-01

    In this paper, we generalize the original majority-vote (MV) model with noise from two states to arbitrary $q$ states, where $q$ is an integer no less than two. The main emphasis is paid to the comparison on the nature of phase transitions between the two-state MV (MV2) model and the three-state MV (MV3) model. By extensive Monte Carlo simulation and mean-field analysis, we find that the MV3 model undergoes a discontinuous order-disorder phase transition, in contrast to a continuous phase transition in the MV2 model. A central feature of such a discontinuous transition is a strong hysteresis behavior as noise intensity goes forward and backward. Within the hysteresis region, the disordered phase and ordered phase are coexisting.

  20. Velocity mode transition of dynamic crack propagation in hyperviscoelastic materials: A continuum model study

    Science.gov (United States)

    Kubo, Atsushi; Umeno, Yoshitaka

    2017-02-01

    Experiments of crack propagation in rubbers have shown that a discontinuous jump of crack propagation velocity can occur as energy release rate increases, which is known as the “mode transition” phenomenon. Although it is believed that the mode transition is strongly related to the mechanical properties, the nature of the mode transition had not been revealed. In this study, dynamic crack propagation on an elastomer was investigated using the finite element method (FEM) with a hyperviscoelastic material model. A series of pure shear test was carried out numerically with FEM simulations and crack velocities were measured under various values of tensile strain. As a result, our FEM simulations successfully reproduced the mode transition. The success of realising the mode transition phenomenon by a simple FEM model, which was achieved for the first time ever, helped to explain that the phenomenon occurs owing to a characteristic non-monotonic temporal development of principal stress near the crack tip.

  1. Applications of Joint Tactical Simulation Modeling

    Science.gov (United States)

    1997-12-01

    NAVAL POSTGRADUATE SCHOOL Monterey, California THESIS APPLICATIONS OF JOINT TACTICAL SIMULATION MODELING by Steve VanLandingham December 1997...SUBTITLE APPLICATIONS OF JOINT TACTICAL SIMULATION MODELING 5. FUNDING NUMBERS 6. AUTHOR(S) VanLandingham, Steve 7. PERFORMING ORGANIZATION NAME(S...release; distribution is unlimited. APPLICATIONS OF JOINT TACTICAL SIMULATION MODELING Steve VanLandingham Lieutenant, United States Navy B.S

  2. A mechanism-based approach for absorption modeling: the Gastro-Intestinal Transit Time (GITT) model.

    Science.gov (United States)

    Hénin, Emilie; Bergstrand, Martin; Standing, Joseph F; Karlsson, Mats O

    2012-06-01

    Absorption models used in the estimation of pharmacokinetic drug characteristics from plasma concentration data are generally empirical and simple, utilizing no prior information on gastro-intestinal (GI) transit patterns. Our aim was to develop and evaluate an estimation strategy based on a mechanism-based model for drug absorption, which takes into account the tablet movement through the GI transit. This work is an extension of a previous model utilizing tablet movement characteristics derived from magnetic marker monitoring (MMM) and pharmacokinetic data. The new approach, which replaces MMM data with a GI transit model, was evaluated in data sets where MMM data were available (felodipine) or not available (diclofenac). Pharmacokinetic profiles in both datasets were well described by the model according to goodness-of-fit plots. Visual predictive checks showed the model to give superior simulation properties compared with a standard empirical approach (first-order absorption rate + lag-time). This model represents a step towards an integrated mechanism-based NLME model, where the use of physiological knowledge and in vitro–in vivo correlation helps fully characterize PK and generate hypotheses for new formulations or specific populations.

  3. Benchmark simulation models, quo vadis?

    DEFF Research Database (Denmark)

    Jeppsson, U.; Alex, J; Batstone, D. J.

    2013-01-01

    As the work of the IWA Task Group on Benchmarking of Control Strategies for wastewater treatment plants (WWTPs) is coming to an end, it is essential to disseminate the knowledge gained. For this reason, all authors of the IWA Scientific and Technical Report on benchmarking have come together to p...... already being done within the context of the benchmarking simulation models (BSMs) or applicable work in the wider literature. Of key importance is increasing capability, usability and transparency of the BSM package while avoiding unnecessary complexity. © IWA Publishing 2013....... and spatial extension, process modifications within the WWTP, the realism of models, control strategy extensions and the potential for new evaluation tools within the existing benchmark system. We find that there are major opportunities for application within all of these areas, either from existing work...

  4. Demographic model of the Neolithic transition in Central Europe

    Directory of Open Access Journals (Sweden)

    Patrik Galeta

    2009-12-01

    Full Text Available Several recent lines of evidence indicate more intensive contact between LBK farmers and indigenous foragers in Central Europe (5600–5400 calBC. Strong continuity has been identified between Mesolithic and Neolithic material cultures; faunal assemblages, and isotopic analyses of diet have revealed a greater role of hunting in LBK communities; genetic analyses have suggested that the modern Central European gene pool is mainly of Palaeolithic origin. Surprisingly little attention has been paid to demographic aspects of the Neolithic transition. In our study, demographic simulations were performed to assess the demographic conditions that would allow LBK farmers to spread across central Europe without any admixture with Mesolithic foragers. We constructed a stochastic demographic model of changes in farming population size. Model parameters were constrained by data from human demography, archaeology, and human ecology. Our results indicate that the establishment of farming communities in Central Europe without an admixture with foragers was highly improbable. The demographic conditions necessary for colonization were beyond the potential of the Neolithic population. Our study supports the integrationists’ view of the Neolithic transition in Central Europe.

  5. Phase transition in the ABC model

    Science.gov (United States)

    Clincy, M.; Derrida, B.; Evans, M. R.

    2003-06-01

    Recent studies have shown that one-dimensional driven systems can exhibit phase separation even if the dynamics is governed by local rules. The ABC model, which comprises three particle species that diffuse asymmetrically around a ring, shows anomalous coarsening into a phase separated steady state. In the limiting case in which the dynamics is symmetric and the parameter q describing the asymmetry tends to one, no phase separation occurs and the steady state of the system is disordered. In the present work, we consider the weak asymmetry regime q=exp(-β/N), where N is the system size, and study how the disordered state is approached. In the case of equal densities, we find that the system exhibits a second-order phase transition at some nonzero βc. The value of βc=2π(3) and the optimal profiles can be obtained by writing the exact large deviation functional. For nonequal densities, we write down mean-field equations and analyze some of their predictions.

  6. SWEEPOP a simulation model for Target Simulation Mode minesweeping

    NARCIS (Netherlands)

    Keus, H.E.; Beckers, A.L.D.; Cleophas, P.L.H.

    2005-01-01

    SWEEPOP is a flexible model that simulates the physical interaction between objects in a maritime underwater environment. The model was built to analyse the deployment and the performance of a Target Simulation Mode (TSM) minesweeping system for the Royal Netherlands Navy (RNLN) and to support its p

  7. First-order phase transition in $1d$ Potts model with long-range interactions

    OpenAIRE

    Uzelac, K.; Glumac, Z.

    1998-01-01

    The first-order phase transition in the one-dimensional $q$-state Potts model with long-range interactions decaying with distance as $1/r^{1+\\sigma}$ has been studied by Monte Carlo numerical simulations for $0 2$. On the basis of finite-size scaling analysis of interface free energy $\\Delta F_L$, specific heat and Binder's fourth order cumulant, we obtain the first-order transition which occurs for $\\sigma$ below a threshold value $\\sigma_c(q)$.

  8. Approach to nonadiabatic transitions by density matrix evolution and molecular dynamics simulations

    NARCIS (Netherlands)

    Berendsen, H.J.C.; Mavri, J.

    1996-01-01

    Many biological processes are characterized by an essentially quantum dynamical event, such as electron or proton transfer, in a complex classical environment. To treat such processes properly by computer simulation, allowing nonadiabatic transitions involving excited states, we recently developed a

  9. Observation of dynamical precursors of the isotropic-nematic transition by computer simulation

    NARCIS (Netherlands)

    Allen, M.P.; Frenkel, D.

    1987-01-01

    We present the results of the first molecular-dynamics simulations of a molecular liquid, namely a system of prolate hard ellipsoids of revolution, near the isotropic-nematic liquid-crystal phase transition. Collective rotational motion in the isotropic phase slows down on approach to the transition

  10. Preon model and cosmological quantum-hyperchromodynamic phase transition

    Science.gov (United States)

    Nishimura, H.; Hayashi, Y.

    1987-05-01

    From the cosmological viewpoint, we investigate whether or not recent preon models are compatible with the picture of the first-order phase transition from the preon phase to the composite quark-lepton phase. It is shown that the current models accepting the 't Hooft anomaly-matching condition together with quantum hyperchromodynamics are consistent with the cosmological first-order phase transition.

  11. Techniques and Simulation Models in Risk Management

    OpenAIRE

    Mirela GHEORGHE

    2012-01-01

    In the present paper, the scientific approach of the research starts from the theoretical framework of the simulation concept and then continues in the setting of the practical reality, thus providing simulation models for a broad range of inherent risks specific to any organization and simulation of those models, using the informatics instrument @Risk (Palisade). The reason behind this research lies in the need for simulation models that will allow the person in charge with decision taking i...

  12. Comparative Analysis and Pedestrian Simulation Evaluation on Emergency Evacuation Test Methods for Urban Rail Transit Stations

    Directory of Open Access Journals (Sweden)

    Zijia Wang

    2012-11-01

    Full Text Available The emergency evacuation test method of rail transit station not only affects the operation safety of the station, but it also has significant influence on the scale and cost of the station. A reasonable test method should guarantee both the safety of evacuation and that the investment is neither excessive nor too conservative. The paper compares and analyzes the differences of the existing emergency evacuation test methods of rail stations in China and other regions on the evacuation load, evacuation time calculation and the capacity of egress components, etc. Based on the field survey analysis, the desired velocity distribution of pedestrians in various station facilities and the capacity of egress components have been obtained, and then the parameters of pedestrian simulation tool were calibrated. By selecting a station for the case study, an evacuation simulation model has been established, where five evacuation scenarios have been set according to different specifications and the simulation results have been carefully analyzed. Through analyzing the simulation results, some modification proposals of the current emergency evacuation test method in the design manual have been considered, including taking into account the section passenger volume, walking time on escalators and stairs of the platform, and the condition in which the escalator most critical to evacuation should be considered as out of service.

  13. A multiple-field coupled resistive transition model for superconducting Nb3Sn

    Science.gov (United States)

    Yang, Lin; Ding, He; Zhang, Xin; Qiao, Li

    2016-12-01

    A study on the superconducting transition width as functions of the applied magnetic field and strain is performed in superconducting Nb3Sn. A quantitative, yet universal phenomenological resistivity model is proposed. The numerical simulation by the proposed model shows predicted resistive transition characteristics under variable magnetic fields and strain, which in good agreement with the experimental observations. Furthermore, a temperature-modulated magnetoresistance transition behavior in filamentary Nb3Sn conductors can also be well described by the given model. The multiple-field coupled resistive transition model is helpful for making objective determinations of the high-dimensional critical surface of Nb3Sn in the multi-parameter space, offering some preliminary information about the basic vortex-pinning mechanisms, and guiding the design of the quench protection system of Nb3Sn superconducting magnets.

  14. Selection Bias in Educational Transition Models: Theory and Empirical Evidence

    DEFF Research Database (Denmark)

    Holm, Anders; Jæger, Mads

    Most studies using Mare’s (1980, 1981) seminal model of educational transitions find that the effect of family background decreases across transitions. Recently, Cameron and Heckman (1998, 2001) have argued that the “waning coefficients” in the Mare model are driven by selection on unobserved...... the United States, United Kingdom, Denmark, and the Netherlands shows that when we take selection into account the effect of family background variables on educational transitions is largely constant across transitions. We also discuss several difficulties in estimating educational transition models which...... variables. This paper, first, explains theoretically how selection on unobserved variables leads to waning coefficients and, second, illustrates empirically how selection leads to biased estimates of the effect of family background on educational transitions. Our empirical analysis using data from...

  15. Modeling the solid-liquid phase transition in saturated triglycerides

    Science.gov (United States)

    Pink, David A.; Hanna, Charles B.; Sandt, Christophe; MacDonald, Adam J.; MacEachern, Ronald; Corkery, Robert; Rousseau, Dérick

    2010-02-01

    We investigated theoretically two competing published scenarios for the melting transition of the triglyceride trilaurin (TL): those of (1) Corkery et al. [Langmuir 23, 7241 (2007)], in which the average state of each TL molecule in the liquid phase is a discotic "Y" conformer whose three chains are dynamically twisted, with an average angle of ˜120° between them, and those of (2) Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid-state conformation of the TL molecule in the liquid phase is a nematic h∗-conformer whose three chains are in a modified "chair" conformation. We developed two competing models for the two scenarios, in which TL molecules are in a nematic compact-chair (or "h") conformation, with extended, possibly all-trans, chains at low-temperatures, and in either a Y conformation or an h∗ conformation in the liquid state at temperatures higher than the phase-transition temperature, T∗=319 K. We defined an h-Y model as a realization of the proposal of Corkery et al. [Langmuir 23, 7241 (2007)], and explored its predictions by mapping it onto an Ising model in a temperature-dependent field, performing a mean-field approximation, and calculating the transition enthalpy ΔH. We found that the most plausible realization of the h-Y model, as applied to the solid-liquid phase transition in TL, and likely to all saturated triglycerides, gave a value of ΔH in reasonable agreement with the experiment. We then defined an alternative h-h∗ model as a realization of the proposal of Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid phase exhibits an average symmetry breaking similar to an h conformation, but with twisted chains, to see whether it could describe the TL phase transition. The h-h∗ model gave a value of ΔH that was too small by a factor of ˜3-4. We also predicted the temperature dependence of the 1132 cm-1 Raman band for both models, and performed measurements of the ratios of three TL Raman

  16. Boundary-layer transition prediction using a simplified correlation-based model

    Directory of Open Access Journals (Sweden)

    Xia Chenchao

    2016-02-01

    Full Text Available This paper describes a simplified transition model based on the recently developed correlation-based γ-Reθt transition model. The transport equation of transition momentum thickness Reynolds number is eliminated for simplicity, and new transition length function and critical Reynolds number correlation are proposed. The new model is implemented into an in-house computational fluid dynamics (CFD code and validated for low and high-speed flow cases, including the zero pressure flat plate, airfoils, hypersonic flat plate and double wedge. Comparisons between the simulation results and experimental data show that the boundary-layer transition phenomena can be reasonably illustrated by the new model, which gives rise to significant improvements over the fully laminar and fully turbulent results. Moreover, the new model has comparable features of accuracy and applicability when compared with the original γ-Reθt model. In the meantime, the newly proposed model takes only one transport equation of intermittency factor and requires fewer correlations, which simplifies the original model greatly. Further studies, especially on separation-induced transition flows, are required for the improvement of the new model.

  17. Boundary-layer transition prediction using a simplified correlation-based model

    Institute of Scientific and Technical Information of China (English)

    Xia Chenchao; Chen Weifang

    2016-01-01

    This paper describes a simplified transition model based on the recently developed correlation-based c ? Reht transition model. The transport equation of transition momentum thick-ness Reynolds number is eliminated for simplicity, and new transition length function and critical Reynolds number correlation are proposed. The new model is implemented into an in-house com-putational fluid dynamics (CFD) code and validated for low and high-speed flow cases, including the zero pressure flat plate, airfoils, hypersonic flat plate and double wedge. Comparisons between the simulation results and experimental data show that the boundary-layer transition phenomena can be reasonably illustrated by the new model, which gives rise to significant improvements over the fully laminar and fully turbulent results. Moreover, the new model has comparable features of accuracy and applicability when compared with the original c ? Reht model. In the meantime, the newly proposed model takes only one transport equation of intermittency factor and requires fewer correlations, which simplifies the original model greatly. Further studies, especially on separation-induced transition flows, are required for the improvement of the new model.

  18. Bridging experiments, models and simulations

    DEFF Research Database (Denmark)

    Carusi, Annamaria; Burrage, Kevin; Rodríguez, Blanca

    2012-01-01

    Computational models in physiology often integrate functional and structural information from a large range of spatiotemporal scales from the ionic to the whole organ level. Their sophistication raises both expectations and skepticism concerning how computational methods can improve our understan...... that contributes to defining the specific aspects of cardiac electrophysiology the MSE system targets, rather than being only an external test, and that this is driven by advances in experimental and computational methods and the combination of both....... of biovariability; 2) testing and developing robust techniques and tools as a prerequisite to conducting physiological investigations; 3) defining and adopting standards to facilitate the interoperability of experiments, models, and simulations; 4) and understanding physiological validation as an iterative process...... understanding of living organisms and also how they can reduce, replace, and refine animal experiments. A fundamental requirement to fulfill these expectations and achieve the full potential of computational physiology is a clear understanding of what models represent and how they can be validated. The present...

  19. Introducing ab initio based neural networks for transition-rate prediction in kinetic Monte Carlo simulations

    Science.gov (United States)

    Messina, Luca; Castin, Nicolas; Domain, Christophe; Olsson, Pär

    2017-02-01

    The quality of kinetic Monte Carlo (KMC) simulations of microstructure evolution in alloys relies on the parametrization of point-defect migration rates, which are complex functions of the local chemical composition and can be calculated accurately with ab initio methods. However, constructing reliable models that ensure the best possible transfer of physical information from ab initio to KMC is a challenging task. This work presents an innovative approach, where the transition rates are predicted by artificial neural networks trained on a database of 2000 migration barriers, obtained with density functional theory (DFT) in place of interatomic potentials. The method is tested on copper precipitation in thermally aged iron alloys, by means of a hybrid atomistic-object KMC model. For the object part of the model, the stability and mobility properties of copper-vacancy clusters are analyzed by means of independent atomistic KMC simulations, driven by the same neural networks. The cluster diffusion coefficients and mean free paths are found to increase with size, confirming the dominant role of coarsening of medium- and large-sized clusters in the precipitation kinetics. The evolution under thermal aging is in better agreement with experiments with respect to a previous interatomic-potential model, especially concerning the experiment time scales. However, the model underestimates the solubility of copper in iron due to the excessively high solution energy predicted by the chosen DFT method. Nevertheless, this work proves the capability of neural networks to transfer complex ab initio physical properties to higher-scale models, and facilitates the extension to systems with increasing chemical complexity, setting the ground for reliable microstructure evolution simulations in a wide range of alloys and applications.

  20. Thresholds and Smooth Transitions in Vector Autoregressive Models

    DEFF Research Database (Denmark)

    Hubrich, Kirstin; Teräsvirta, Timo

    This survey focuses on two families of nonlinear vector time series models, the family of Vector Threshold Regression models and that of Vector Smooth Transition Regression models. These two model classes contain incomplete models in the sense that strongly exogeneous variables are allowed...... in the equations. The emphasis is on stationary models, but the considerations also include nonstationary Vector Threshold Regression and Vector Smooth Transition Regression models with cointegrated variables. Model specification, estimation and evaluation is considered, and the use of the models illustrated...

  1. Transition times in the Landau-Zener model

    CERN Document Server

    Vitanov, N V

    1999-01-01

    This paper presents analytic formulas for various transition times in the Landau-Zener model. Considerable differences are found between the transition times in the diabatic and adiabatic bases, and between the jump time (the time for which the transition probability rises to the region of its asymptotic value) and the relaxation time (the characteristic damping time of the oscillations which appear in the transition probability after the crossing). These transition times have been calculated by using the exact values of the transition probabilities and their derivatives at the crossing point and approximations to the time evolutions of the transition probabilities in the diabatic basis, derived earlier \\protect{[}N. V. Vitanov and B. M. Garraway, Phys. Rev. A {\\bf 53}, 4288 (1996)\\protect{]}, and similar results in the adiabatic basis, derived in the present paper.

  2. Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

    DEFF Research Database (Denmark)

    Hervig, K.W.; Wu, Z.; Dai, P.

    1997-01-01

    Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed on an ex......Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...

  3. Model investigation of non-thermal phase transition in high energy collisions

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The non-thermal phase transition in high energy collisions is studied in detail in the framework of random cascade model. The relation between the characteristic parameter λq of phase transition and the rank q of moment is obtained using Monte Carlo simulation, and the existence of two phases in self-similar cascading multiparticle systems is shown. The relation between the critical point qc of phase transition on the fluctuation parameter α is obtained and compared with the experimental results from NA22. The same study is carried out also by analytical calculation under central limit approximation. The range of validity of the central limit approximation is discussed.

  4. Two kinds of Phase transitions in a Voting model

    CERN Document Server

    Hisakado, Masato

    2012-01-01

    In this paper, we discuss a voting model with two candidates, C_1 and C_2. We consider two types of voters--herders and independents. The voting of independents is based on their fundamental values; on the other hand, the voting of herders is based on the number of previous votes. We can identify two kinds of phase transitions. One is information cascade transition similar to a phase transition seen in Ising model. The other is a transition of super and normal diffusions. These phase transitions coexist together. We compared our results to the conclusions of experiments and identified the phase transitions in the upper t limit using analysis of human behavior obtained from experiments.

  5. Distributed simulation a model driven engineering approach

    CERN Document Server

    Topçu, Okan; Oğuztüzün, Halit; Yilmaz, Levent

    2016-01-01

    Backed by substantive case studies, the novel approach to software engineering for distributed simulation outlined in this text demonstrates the potent synergies between model-driven techniques, simulation, intelligent agents, and computer systems development.

  6. Random exchange interaction effects on the phase transitions in frustrated classical Heisenberg model

    Energy Technology Data Exchange (ETDEWEB)

    Li, W. C.; Song, X.; Feng, J. J.; Zeng, M.; Gao, X. S.; Qin, M. H., E-mail: qinmh@scnu.edu.cn [Institute for Advanced Materials and Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, South China Normal University, Guangzhou 510006 (China); Jia, X. T. [School of Physics and Chemistry, Henan Polytechnic University, Jiaozuo 454000 (China)

    2015-07-07

    In this work, the effects of the random exchange interaction on the phase transitions and phase diagrams of classical frustrated Heisenberg model are investigated by Monte Carlo simulation in order to simulate the chemical doping effect in real materials. It is observed that the antiferromagnetic transitions shift toward low temperature with the increasing magnitude of the random exchange interaction, which can be qualitatively understood from the competitions among local spin states. This study is related to the magnetic properties in the doped iron-based superconductors.

  7. Benchmark simulation models, quo vadis?

    Science.gov (United States)

    Jeppsson, U; Alex, J; Batstone, D J; Benedetti, L; Comas, J; Copp, J B; Corominas, L; Flores-Alsina, X; Gernaey, K V; Nopens, I; Pons, M-N; Rodríguez-Roda, I; Rosen, C; Steyer, J-P; Vanrolleghem, P A; Volcke, E I P; Vrecko, D

    2013-01-01

    As the work of the IWA Task Group on Benchmarking of Control Strategies for wastewater treatment plants (WWTPs) is coming to an end, it is essential to disseminate the knowledge gained. For this reason, all authors of the IWA Scientific and Technical Report on benchmarking have come together to provide their insights, highlighting areas where knowledge may still be deficient and where new opportunities are emerging, and to propose potential avenues for future development and application of the general benchmarking framework and its associated tools. The paper focuses on the topics of temporal and spatial extension, process modifications within the WWTP, the realism of models, control strategy extensions and the potential for new evaluation tools within the existing benchmark system. We find that there are major opportunities for application within all of these areas, either from existing work already being done within the context of the benchmarking simulation models (BSMs) or applicable work in the wider literature. Of key importance is increasing capability, usability and transparency of the BSM package while avoiding unnecessary complexity.

  8. Four Models of In Situ Simulation

    DEFF Research Database (Denmark)

    Musaeus, Peter; Krogh, Kristian; Paltved, Charlotte

    2014-01-01

    that there are four fruitful approaches to in situ simulation: (1) In situ simulation informed by reported critical incidents and adverse events from emergency departments (ED) in which team training is about to be conducted to write scenarios. (2) In situ simulation through ethnographic studies at the ED. (3) Using...... prewritten scenarios from the simulation lab and transferring them to in situ simulation. (4) Action research – insider or participant action research to obtain in-depth understanding of team processes to guide scenario design. We evaluate the approach relying on Marks’ et al. taxonomy that posits...... the following processes: Transition processes, Action processes and Interpersonal processes. Design and purpose This abstract suggests four approaches to in situ simulation. A pilot study will evaluate the different approaches in two emergency departments in the Central Region of Denmark. Methods The typology...

  9. COMPUTER SIMULATION OF PHASE TRANSITIONS IN THE TWODIMENSIONAL STRUCTURES DESCRIBED THREE-VERTEX ANTIFERROMAGNETIC POTTS MODE ON A TRIANGULAR LATTICE

    Directory of Open Access Journals (Sweden)

    A. B. Babaev

    2015-01-01

    Full Text Available Using Monte-Carlo simulations, we investigated phase transitions and frustrations in the three-state Potts model on a triangular lattice with allowance for antiferromagnetic exchange interactions between nearest- neighbors J1 and next- nearest- neighbors J2. The ratio of the next-nearest- neighbor and nearest- neighbor exchange constants r=J2/J1 is chosen within the 0÷2 range. Based on the analysis of the entropy, specific heat, system state density function, and fourth order Binder cumulants, the phase transitions in the Potts model with interactions J1<0 and J2<0 are shown to be found in value ranges of 0 r<0.2 and 1.0transition fails and the frustrations are revealed.

  10. Mott transitions in three-component Falicov-Kimball model

    Science.gov (United States)

    Nguyen, Duong-Bo; Tran, Minh-Tien

    2013-01-01

    Metal-insulator transitions are studied within a three-component Falicov-Kimball model, which mimics a mixture of one-component and two-component fermionic particles with local repulsive interactions in optical lattices. Within the model, the two-component fermionic particles are able to hop in the lattice, while the one-component fermionic particles are localized. The model is studied by using the dynamical mean-field theory with exact diagonalization. Its homogeneous solutions establish Mott transitions for both commensurate and incommensurate fillings between one-third and two-thirds. At commensurate one-third and two-thirds fillings, the Mott transition occurs for any density of hopping particles, while at incommensurate fillings, the Mott transition can occur only for density one-half of hopping particles. At half-filling, depending on the repulsive interactions, the reentrant effect of the Mott insulator is observed. As increasing local interaction of hopping particles, the first insulator-metal transition is continuous, whereas the second metal-insulator transition is discontinuous. The second metal-insulator transition crosses a finite region where both metallic and insulating phase coexist. At third-filling, the Mott transition is established only for strong repulsive interactions. A phase separation occurs together with the phase transition.

  11. Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails.

    Directory of Open Access Journals (Sweden)

    Peter M Kasson

    2010-06-01

    Full Text Available Membrane fusion is essential to both cellular vesicle trafficking and infection by enveloped viruses. While the fusion protein assemblies that catalyze fusion are readily identifiable, the specific activities of the proteins involved and nature of the membrane changes they induce remain unknown. Here, we use many atomic-resolution simulations of vesicle fusion to examine the molecular mechanisms for fusion in detail. We employ committor analysis for these million-atom vesicle fusion simulations to identify a transition state for fusion stalk formation. In our simulations, this transition state occurs when the bulk properties of each lipid bilayer remain in a lamellar state but a few hydrophobic tails bulge into the hydrophilic interface layer and make contact to nucleate a stalk. Additional simulations of influenza fusion peptides in lipid bilayers show that the peptides promote similar local protrusion of lipid tails. Comparing these two sets of simulations, we obtain a common set of structural changes between the transition state for stalk formation and the local environment of peptides known to catalyze fusion. Our results thus suggest that the specific molecular properties of individual lipids are highly important to vesicle fusion and yield an explicit structural model that could help explain the mechanism of catalysis by fusion proteins.

  12. Linking Complexity and Sustainability Theories: Implications for Modeling Sustainability Transitions

    Directory of Open Access Journals (Sweden)

    Camaren Peter

    2014-03-01

    Full Text Available In this paper, we deploy a complexity theory as the foundation for integration of different theoretical approaches to sustainability and develop a rationale for a complexity-based framework for modeling transitions to sustainability. We propose a framework based on a comparison of complex systems’ properties that characterize the different theories that deal with transitions to sustainability. We argue that adopting a complexity theory based approach for modeling transitions requires going beyond deterministic frameworks; by adopting a probabilistic, integrative, inclusive and adaptive approach that can support transitions. We also illustrate how this complexity-based modeling framework can be implemented; i.e., how it can be used to select modeling techniques that address particular properties of complex systems that we need to understand in order to model transitions to sustainability. In doing so, we establish a complexity-based approach towards modeling sustainability transitions that caters for the broad range of complex systems’ properties that are required to model transitions to sustainability.

  13. Kosterlitz-Thouless and Potts transitions in a generalized XY model.

    Science.gov (United States)

    Canova, Gabriel A; Levin, Yan; Arenzon, Jeferson J

    2014-01-01

    We present extensive numerical simulations of a generalized XY model with nematic-like terms recently proposed by Poderoso et al. [ Phys. Rev. Lett. 106 067202 (2011)]. Using finite size scaling and focusing on the q=3 case, we locate the transitions between the paramagnetic (P), the nematic-like (N), and the ferromagnetic (F) phases. The results are compared with the recently derived lower bounds for the P-N and P-F transitions. While the P-N transition is found to be very close to the lower bound, the P-F transition occurs significantly above the bound. Finally, the transition between the nematic-like and the ferromagnetic phases is found to belong to the three-states Potts universality class.

  14. Coil-bridge transition in a single polymer chain as an unconventional phase transition: theory and simulation.

    Science.gov (United States)

    Klushin, Leonid I; Skvortsov, Alexander M; Polotsky, Alexey A; Hsu, Hsiao-Ping; Binder, Kurt

    2014-05-28

    The coil-bridge transition in a self-avoiding lattice chain with one end fixed at height H above the attractive planar surface is investigated by theory and Monte Carlo simulation. We focus on the details of the first-order phase transition between the coil state at large height H ⩾ Htr and a bridge state at H ⩽ Htr, where Htr corresponds to the coil-bridge transition point. The equilibrium properties of the chain were calculated using the Monte Carlo pruned-enriched Rosenbluth method in the moderate adsorption regime at (H/Na)tr ⩽ 0.27 where N is the number of monomer units of linear size a. An analytical theory of the coil-bridge transition for lattice chains with excluded volume interactions is presented in this regime. The theory provides an excellent quantitative description of numerical results at all heights, 10 ⩽ H/a ⩽ 320 and all chain lengths 40 theory taking into account the effect of finite extensibility of the lattice chain in the strong adsorption regime at (H/Na)tr ⩾ 0.5 is presented. We discuss some unconventional properties of the coil-bridge transition: the absence of phase coexistence, two micro-phases involved in the bridge state, and abnormal behavior in the microcanonical ensemble.

  15. Structured building model reduction toward parallel simulation

    Energy Technology Data Exchange (ETDEWEB)

    Dobbs, Justin R. [Cornell University; Hencey, Brondon M. [Cornell University

    2013-08-26

    Building energy model reduction exchanges accuracy for improved simulation speed by reducing the number of dynamical equations. Parallel computing aims to improve simulation times without loss of accuracy but is poorly utilized by contemporary simulators and is inherently limited by inter-processor communication. This paper bridges these disparate techniques to implement efficient parallel building thermal simulation. We begin with a survey of three structured reduction approaches that compares their performance to a leading unstructured method. We then use structured model reduction to find thermal clusters in the building energy model and allocate processing resources. Experimental results demonstrate faster simulation and low error without any interprocessor communication.

  16. Simulation and Modeling Methodologies, Technologies and Applications

    CERN Document Server

    Filipe, Joaquim; Kacprzyk, Janusz; Pina, Nuno

    2014-01-01

    This book includes extended and revised versions of a set of selected papers from the 2012 International Conference on Simulation and Modeling Methodologies, Technologies and Applications (SIMULTECH 2012) which was sponsored by the Institute for Systems and Technologies of Information, Control and Communication (INSTICC) and held in Rome, Italy. SIMULTECH 2012 was technically co-sponsored by the Society for Modeling & Simulation International (SCS), GDR I3, Lionphant Simulation, Simulation Team and IFIP and held in cooperation with AIS Special Interest Group of Modeling and Simulation (AIS SIGMAS) and the Movimento Italiano Modellazione e Simulazione (MIMOS).

  17. An introduction to enterprise modeling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Ostic, J.K.; Cannon, C.E. [Los Alamos National Lab., NM (United States). Technology Modeling and Analysis Group

    1996-09-01

    As part of an ongoing effort to continuously improve productivity, quality, and efficiency of both industry and Department of Energy enterprises, Los Alamos National Laboratory is investigating various manufacturing and business enterprise simulation methods. A number of enterprise simulation software models are being developed to enable engineering analysis of enterprise activities. In this document the authors define the scope of enterprise modeling and simulation efforts, and review recent work in enterprise simulation at Los Alamos National Laboratory as well as at other industrial, academic, and research institutions. References of enterprise modeling and simulation methods and a glossary of enterprise-related terms are provided.

  18. The Depinning Transition in Presence of Disorder: A Toy Model

    Science.gov (United States)

    Derrida, Bernard; Retaux, Martin

    2014-07-01

    We introduce a toy model, which represents a simplified version of the problem of the depinning transition in the limit of strong disorder. This toy model can be formulated as a simple renormalization transformation for the probability distribution of a single real variable. For this toy model, the critical line is known exactly in one particular case and it can be calculated perturbatively in the general case. One can also show that, at the transition, there is no fixed distribution accessible by renormalization which corresponds to a disordered fixed point. Instead, both our numerical and analytic approaches indicate a transition of infinite order (of the Berezinskii-Kosterlitz-Thouless type). We give numerical evidence that this infinite order transition persists for the problem of the depinning transition with disorder on the hierarchical lattice.

  19. Phase Transition in a Sexual Age-Structured Model of Learning Foreign Languages

    Science.gov (United States)

    Schwämmle, V.

    The understanding of language competition helps us to predict extinction and survival of languages spoken by minorities. A simple agent-based model of a sexual population, based on the Penna model, is built in order to find out under which circumstances one language dominates other ones. This model considers that only young people learn foreign languages. The simulations show a first order phase transition of the ratio between the number of speakers of different languages with the mutation rate as control parameter.

  20. Integrated response and transit time distributions of watersheds by combining hydrograph separation and long-term transit time modeling

    Directory of Open Access Journals (Sweden)

    M. C. Roa-García

    2010-08-01

    Full Text Available We present a new modeling approach analyzing and predicting the Transit Time Distribution (TTD and the Response Time Distribution (RTD from hourly to annual time scales as two distinct hydrological processes. The model integrates Isotope Hydrograph Separation (IHS and the Instantaneous Unit Hydrograph (IUH approach as a tool to provide a more realistic description of transit and response time of water in catchments. Individual event simulations and parameterizations were combined with long-term baseflow simulation and parameterizations; this provides a comprehensive picture of the catchment response for a long time span for the hydraulic and isotopic processes. The proposed method was tested in three Andean headwater catchments to compare the effects of land use on hydrological response and solute transport. Results show that the characteristics of events and antecedent conditions have a significant influence on TTD and RTD, but in general the RTD of the grassland dominated catchment is concentrated in the shorter time spans and has a higher cumulative TTD, while the forest dominated catchment has a relatively higher response distribution and lower cumulative TTD. The catchment where wetlands concentrate shows a flashier response, but wetlands also appear to prolong transit time.

  1. Integrated response and transit time distributions of watersheds by combining hydrograph separation and long-term transit time modeling

    Directory of Open Access Journals (Sweden)

    M. C. Roa-García

    2010-01-01

    Full Text Available We present a new modeling approach analyzing and predicting the Transit Time Distribution (TTD and the Response Time Distribution (RTD from hourly to annual time scales as two distinct hydrological processes. The model integrates Isotope Hydrograph Separation (IHS and the Instantaneous Unit Hydrograph (IUH approach as a tool to provide a more realistic description of transit and response time of water in catchments. Individual event simulations and parameterizations were combined with long-term baseflow simulation and parameterizations to provide a comprehensive picture of the catchment response for a long time span for the hydraulic and isotopic processes. The proposed method was tested in three Andean headwater catchments to compare the effects of land use on hydrological response and solute transport. Results show that the characteristics of events and antecedent conditions have a significant influence on TTD and RTD, but in general the RTD of the grassland dominated catchment is concentrated in the shorter time spans and has a higher cumulative TTD, while the forest dominated catchment has a relatively longer response distribution and lower cumulative TTD. The catchment where wetlands concentrate shows a flashier response, but wetlands also appear to contribute to prolong transit time.

  2. A physiological production model for cacao : results of model simulations

    NARCIS (Netherlands)

    Zuidema, P.A.; Leffelaar, P.A.

    2002-01-01

    CASE2 is a physiological model for cocoa (Theobroma cacao L.) growth and yield. This report introduces the CAcao Simulation Engine for water-limited production in a non-technical way and presents simulation results obtained with the model.

  3. A physiological production model for cacao : results of model simulations

    NARCIS (Netherlands)

    Zuidema, P.A.; Leffelaar, P.A.

    2002-01-01

    CASE2 is a physiological model for cocoa (Theobroma cacao L.) growth and yield. This report introduces the CAcao Simulation Engine for water-limited production in a non-technical way and presents simulation results obtained with the model.

  4. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...

  5. Model for continuous thermal metal to insulator transition

    Science.gov (United States)

    Jian, Chao-Ming; Bi, Zhen; Xu, Cenke

    2017-09-01

    We propose a d -dimensional interacting Majorana fermion model with quenched disorder, which gives us a continuous quantum phase transition between a diffusive thermal metal phase with a finite entropy density to an insulator phase with zero entropy density. This model is based on coupled Sachdev-Ye-Kitaev model clusters, and hence has a controlled large-N limit. The metal-insulator transition is accompanied by a spontaneous time-reversal symmetry breaking. We perform controlled calculations to show that the energy diffusion constant jumps to zero discontinuously at the metal-insulator transition, while the time-reversal symmetry-breaking order parameter increases continuously.

  6. Simulating Lattice Spin Models on Graphics Processing Units

    CERN Document Server

    Levy, Tal; Rabani, Eran; 10.1021/ct100385b

    2012-01-01

    Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often the large computational effort needed when approaching critical points. In this work, it is shown how such simulations can be accelerated with the use of NVIDIA graphics processing units (GPUs) using the CUDA programming architecture. We have developed two different algorithms for lattice spin models, the first useful for equilibrium properties near a second-order phase transition point and the second for dynamical slowing down near a glass transition. The algorithms are based on parallel MC techniques, and speedups from 70- to 150-fold over conventional single-threaded computer codes are obtained using consumer-grade hardware.

  7. Simulation modeling and analysis with Arena

    CERN Document Server

    Altiok, Tayfur

    2007-01-01

    Simulation Modeling and Analysis with Arena is a highly readable textbook which treats the essentials of the Monte Carlo discrete-event simulation methodology, and does so in the context of a popular Arena simulation environment.” It treats simulation modeling as an in-vitro laboratory that facilitates the understanding of complex systems and experimentation with what-if scenarios in order to estimate their performance metrics. The book contains chapters on the simulation modeling methodology and the underpinnings of discrete-event systems, as well as the relevant underlying probability, statistics, stochastic processes, input analysis, model validation and output analysis. All simulation-related concepts are illustrated in numerous Arena examples, encompassing production lines, manufacturing and inventory systems, transportation systems, and computer information systems in networked settings.· Introduces the concept of discrete event Monte Carlo simulation, the most commonly used methodology for modeli...

  8. Nonsmooth Modeling and Simulation for Switched Circuits

    CERN Document Server

    Acary, Vincent; Brogliato, Bernard

    2011-01-01

    "Nonsmooth Modeling and Simulation for Switched Circuits" concerns the modeling and the numerical simulation of switched circuits with the nonsmooth dynamical systems (NSDS) approach, using piecewise-linear and multivalued models of electronic devices like diodes, transistors, switches. Numerous examples (ranging from introductory academic circuits to various types of power converters) are analyzed and many simulation results obtained with the INRIA open-source SICONOS software package are presented. Comparisons with SPICE and hybrid methods demonstrate the power of the NSDS approach

  9. Juno model rheometry and simulation

    Science.gov (United States)

    Sampl, Manfred; Macher, Wolfgang; Oswald, Thomas; Plettemeier, Dirk; Rucker, Helmut O.; Kurth, William S.

    2016-10-01

    The experiment Waves aboard the Juno spacecraft, which will arrive at its target planet Jupiter in 2016, was devised to study the plasma and radio waves of the Jovian magnetosphere. We analyzed the Waves antennas, which consist of two nonparallel monopoles operated as a dipole. For this investigation we applied two independent methods: the experimental technique, rheometry, which is based on a downscaled model of the spacecraft to measure the antenna properties in an electrolytic tank and numerical simulations, based on commercial computer codes, from which the quantities of interest (antenna impedances and effective length vectors) are calculated. In this article we focus on the results for the low-frequency range up to about 4 MHz, where the antenna system is in the quasi-static regime. Our findings show that there is a significant deviation of the effective length vectors from the physical monopole directions, caused by the presence of the conducting spacecraft body. The effective axes of the antenna monopoles are offset from the mechanical axes by more than 30°, and effective lengths show a reduction to about 60% of the antenna rod lengths. The antennas' mutual capacitances are small compared to the self-capacitances, and the latter are almost the same for the two monopoles. The overall performance of the antennas in dipole configuration is very stable throughout the frequency range up to about 4-5 MHz and therefore can be regarded as the upper frequency bound below which the presented quasi-static results are applicable.

  10. Liquid-Liquid Phase Transition and Glass Transition in a Monoatomic Model System

    Directory of Open Access Journals (Sweden)

    Nicolas Giovambattista

    2010-12-01

    Full Text Available We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

  11. Network Modeling and Simulation A Practical Perspective

    CERN Document Server

    Guizani, Mohsen; Khan, Bilal

    2010-01-01

    Network Modeling and Simulation is a practical guide to using modeling and simulation to solve real-life problems. The authors give a comprehensive exposition of the core concepts in modeling and simulation, and then systematically address the many practical considerations faced by developers in modeling complex large-scale systems. The authors provide examples from computer and telecommunication networks and use these to illustrate the process of mapping generic simulation concepts to domain-specific problems in different industries and disciplines. Key features: Provides the tools and strate

  12. Experience of Macroeconomic Models Realization in Transition Economy

    Directory of Open Access Journals (Sweden)

    Elvira Naval

    2005-01-01

    Full Text Available This article represents an issue about macroeconomic model realization under transition economy of Moldova Republic. Different macroeconomic model beginning with simple monetary model and growth model, and more complicated model as financial programming models, general equilibrium model, describing complex functioning of national economy and forecasting effect of various economic policies on economy development were considered. Some comparative analysis and conclusions were presented.

  13. Simulation of transition radiation based beam imaging from tilted targets

    Science.gov (United States)

    Sukhikh, L. G.; Kube, G.; Potylitsyn, A. P.

    2017-03-01

    Transverse beam profile diagnostics in linear electron accelerators is usually based on direct imaging of a beam spot via visible transition radiation. In this case the fundamental resolution limit is determined by radiation diffraction in the optical system. A method to measure beam sizes beyond the diffraction limit is to perform imaging dominated by a single-particle function (SPF), i.e. when the recorded image is dominated not by the transverse beam profile but by the image function of a point source (single electron). Knowledge of the SPF for an experimental setup allows one to extract the transverse beam size from an SPF dominated image. This paper presents an approach that allows one to calculate two-dimensional SPF dominated beam images, taking into account the target inclination angle and the depth-of-field effect. In conclusion, a simple fit function for beam size determination in the case under consideration is proposed and its applicability is tested under various conditions.

  14. PYTRANSIT: fast and easy exoplanet transit modelling in PYTHON

    Science.gov (United States)

    Parviainen, Hannu

    2015-07-01

    We present a fast and user friendly exoplanet transit light-curve modelling package PYTRANSIT, implementing optimized versions of the Giménez and Mandel & Agol transit models. The package offers an object-oriented PYTHON interface to access the two models implemented natively in FORTRAN with OpenMP parallelization. A partial OpenCL version of the quadratic Mandel-Agol model is also included for GPU-accelerated computations. The aim of PYTRANSIT is to facilitate the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of data points, and of multipassband transit light curves from spectrophotometric observations, as a part of a researcher's programming toolkit for building complex, problem-specific analyses.

  15. Integrability and Quantum Phase Transitions in Interacting Boson Models

    CERN Document Server

    Dukelsky, J; García-Ramos, J E; Pittel, S

    2003-01-01

    The exact solution of the boson pairing hamiltonian given by Richardson in the sixties is used to study the phenomena of level crossings and quantum phase transitions in the integrable regions of the sd and sdg interacting boson models.

  16. Phase transition and mechanical properties of tungsten nanomaterials from molecular dynamic simulation

    Science.gov (United States)

    Chen, L.; Fan, J. L.; Gong, H. R.

    2017-03-01

    Molecular dynamic simulation is used to systematically find out the effects of the size and shape of nanoparticles on phase transition and mechanical properties of W nanomaterials. It is revealed that the body-centered cubic (BCC) to face-centered cubic (FCC) phase transition could only happen in cubic nanoparticles of W, instead of the shapes of sphere, octahedron, and rhombic dodecahedron, and that the critical number to trigger the phase transition is 5374 atoms. Simulation also shows that the FCC nanocrystalline W should be prevented due to its much lower tensile strength than its BCC counterpart and that the octahedral and rhombic dodecahedral nanoparticles of W, rather than the cubic nanoparticles, should be preferred in terms of phase transition and mechanical properties. The derived results are discussed extensively through comparing with available observations in the literature to provide a deep understanding of W nanomaterials.

  17. Nonequilibrium phase transition in a driven Potts model with friction.

    Science.gov (United States)

    Iglói, Ferenc; Pleimling, Michel; Turban, Loïc

    2011-04-01

    We consider magnetic friction between two systems of q-state Potts spins which are moving along their boundaries with a relative constant velocity ν. Due to the interaction between the surface spins there is a permanent energy flow and the system is in a steady state, which is far from equilibrium. The problem is treated analytically in the limit ν=∞ (in one dimension, as well as in two dimensions for large-q values) and for v and q finite by Monte Carlo simulations in two dimensions. Exotic nonequilibrium phase transitions take place, the properties of which depend on the type of phase transition in equilibrium. When this latter transition is of first order, a sequence of second- and first-order nonequilibrium transitions can be observed when the interaction is varied. ©2011 American Physical Society

  18. Improved Testing and Specifivations of Smooth Transition Regression Models

    OpenAIRE

    Escribano, Álvaro; Jordá, Óscar

    1997-01-01

    This paper extends previous work in Escribano and Jordá (1997)and introduces new LM specification procedures to choose between Logistic and Exponential Smooth Transition Regression (STR)Models. These procedures are simpler, consistent and more powerful than those previously available in the literature. An analysis of the properties of Taylor approximations around the transition function of STR models permits one to understand why these procedures work better and it suggests ways to improve te...

  19. Dynamo transition in a five-mode helical model

    Science.gov (United States)

    Kumar, Rohit; Wahi, Pankaj

    2017-09-01

    We construct a five-mode helical dynamo model containing three velocity and two magnetic modes and solve it analytically. This model exhibits dynamo transition via supercritical pitchfork bifurcation. We show that the critical magnetic Reynolds number for dynamo transition (Rmc) asymptotes to constant values for very low and very high magnetic Prandtl numbers (Pm). Beyond dynamo transition, secondary bifurcations lead to periodic, quasi-periodic, and chaotic dynamo states as the forcing amplitude is increased and chaos appears through a quasi-periodic route.

  20. On the Chiral Phase Transition in the Linear Sigma Model

    CERN Document Server

    Phat, T H; Hoa, L V; Phat, Tran Huu; Anh, Nguyen Tuan; Hoa, Le Viet

    2004-01-01

    The Cornwall-Jackiw-Tomboulis (CJT) effective action for composite operators at finite temperature is used to investigate the chiral phase transition within the framework of the linear sigma model as the low-energy effective model of quantum chromodynamics (QCD). A new renormalization prescription for the CJT effective action in the Hartree-Fock (HF) approximation is proposed. A numerical study, which incorporates both thermal and quantum effect, shows that in this approximation the phase transition is of first order. However, taking into account the higher-loop diagrams contribution the order of phase transition is unchanged.

  1. Phase transition in nonmagnetic Al-doped delafossite oxide CuCrO{sub 2}: Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Z.R.; Qin, M.H., E-mail: qinmh@scnu.edu.cn

    2015-10-09

    In this work, the effects of the lattice defects and random exchange interaction on the phase transition in the classical frustrated spin model (Lin et al., 2014) [14] are investigated by Monte Carlo simulation in order to study the nonmagnetic Al doping effect in CuCrO{sub 2}. It is observed that the long range magnetic order can be significantly suppressed by the lattice defects and random exchange induced by the Al substitution, qualitatively consistent with experimental observation. Thus, both the lattice defects and random exchange are confirmed to be responsible for the variation of the transition temperature of CuCr{sub 1−x}Al{sub x}O{sub 2} with x. - Highlights: • Al doping effect on phase transition in CuCrO{sub 2} is studied by Monte Carlo simulation of a classical Heisenberg model. • Both the lattice defects and random exchange contribute to the variation of the transition temperature of CuCr{sub 1−x}Al{sub x}O{sub 2} with x. • The effect of the lattice defects is proved to be dominant in the Al doping effect in CuCrO{sub 2}.

  2. MHD modeling of coronal loops: the transition region throat

    CERN Document Server

    Guarrasi, M; Orlando, S; Mignone, A; Klimchuk, J A

    2014-01-01

    The expansion of coronal loops in the transition region may considerably influence the diagnostics of the plasma emission measure. The cross sectional area of the loops is expected to depend on the temperature and pressure, and might be sensitive to the heating rate. The approach here is to study the area response to slow changes in the coronal heating rate, and check the current interpretation in terms of steady heating models. We study the area response with a time-dependent 2D MHD loop model, including the description of the expanding magnetic field, coronal heating and losses by thermal conduction and radiation from optically thin plasma. We run a simulation for a loop 50 Mm long and quasi-statically heated to about 4 MK. We find that the area can change substantially with the quasi-steady heating rate, e.g. by ~40% at 0.5 MK as the loop temperature varies between 1 and 4 MK, and, therefore, affects the interpretation of DEM(T) curves.

  3. Observation, Simulation, and Evaluation of Snow Dynamics in the Transitional Snow Zone

    Science.gov (United States)

    Wayand, Nicholas E.

    The frequent mid-winter accumulation and ablation cycles of snowpack within the rain-snow transitional zone play an important role for the maritime basins along the western U.S. mountain ranges. Representation of transitional snowpack within hydrological models has remained a challenge, largely because surface and meteorological conditions frequently remain near the freezing point, which allows large errors in modeled accumulation or ablation to result from small forcing or structural errors. This research aims to improve model representation of accumulation and ablation processes by utilizing new observations within the transitional snow zone combined with novel methods of model evaluation. (Abstract shortened by ProQuest.).

  4. Mathematical modeling of photoinitiated coating degradation: Effects of coating glass transition temperature and light stabilizers

    DEFF Research Database (Denmark)

    Kiil, Søren; G.de With, R.A.T.M.Van Benthem

    2013-01-01

    A mathematical model, describing coating degradation mechanisms of thermoset coatings exposed to ultraviolet radiation and humidity at constant temperature, was extended to simulate the behavior of a coating with a low glass transition temperature. The effects of adding light stabilizers (a UV...... absorber and a radical scavenger) to the coating were also explored. The extended model includes photoinitiated oxidation reactions, intrafilm oxygen permeability, water absorption and diffusion, reduction of crosslink density, absorption of ultraviolet radiation, a radical scavenger reaction......, and simulates the transient development of an oxidation zone. Simulations are in good agreement with experimental data for a fast degrading epoxy-amine coating with a glass transition temperature of −50°C. It was found that the degradation rate of the non-stabilized coating was influenced significantly...

  5. Berezinskii-Kosterlitz-Thouless phase transitions in two-dimensional non-Abelian spin models.

    Science.gov (United States)

    Borisenko, Oleg; Chelnokov, Volodymyr; Cuteri, Francesca; Papa, Alessandro

    2016-07-01

    It is argued that two-dimensional U(N) spin models for any N undergo a Berezinskii-Kosterlitz-Thouless (BKT)-like phase transition, similarly to the famous XY model. This conclusion follows from the Berezinskii-like calculation of the two-point correlation function in U(N) models, approximate renormalization group analysis, and numerical investigations of the U(2) model. It is shown, via Monte Carlo simulations, that the universality class of the U(2) model coincides with that of the XY model. Moreover, preliminary numerical results point out that two-dimensional SU(N) spin models with the fundamental and adjoint terms and N>4 exhibit two phase transitions of BKT type, similarly to Z(N) vector models.

  6. VHDL simulation with access to transistor models

    Science.gov (United States)

    Gibson, J.

    1991-01-01

    Hardware description languages such as VHDL have evolved to aid in the design of systems with large numbers of elements and a wide range of electronic and logical abstractions. For high performance circuits, behavioral models may not be able to efficiently include enough detail to give designers confidence in a simulation's accuracy. One option is to provide a link between the VHDL environment and a transistor level simulation environment. The coupling of the Vantage Analysis Systems VHDL simulator and the NOVA simulator provides the combination of VHDL modeling and transistor modeling.

  7. A comparison of particle-tracking and solute transport methods for simulation of tritium concentrations and groundwater transit times in river water

    OpenAIRE

    Gusyev, M. A.; D. Abrams; Toews, M. W.; U. Morgenstern; M. K. Stewart

    2014-01-01

    The purpose of this study is to simulate tritium concentrations and groundwater transit times in river water with particle-tracking (MODPATH) and compare them to solute transport (MT3DMS) simulations. Tritium measurements in river water are valuable for the calibration of particle-tracking and solute transport models as well as for understanding of watershed storage dynamics. In a previous study, we simulated tritium concentrations in river water of the western Lake Taupo...

  8. Modeling of Cancer Stem Cell State Transitions Predicts Therapeutic Response.

    Directory of Open Access Journals (Sweden)

    Mary E Sehl

    Full Text Available Cancer stem cells (CSCs possess capacity to both self-renew and generate all cells within a tumor, and are thought to drive tumor recurrence. Targeting the stem cell niche to eradicate CSCs represents an important area of therapeutic development. The complex nature of many interacting elements of the stem cell niche, including both intracellular signals and microenvironmental growth factors and cytokines, creates a challenge in choosing which elements to target, alone or in combination. Stochastic stimulation techniques allow for the careful study of complex systems in biology and medicine and are ideal for the investigation of strategies aimed at CSC eradication. We present a mathematical model of the breast cancer stem cell (BCSC niche to predict population dynamics during carcinogenesis and in response to treatment. Using data from cell line and mouse xenograft experiments, we estimate rates of interconversion between mesenchymal and epithelial states in BCSCs and find that EMT/MET transitions occur frequently. We examine bulk tumor growth dynamics in response to alterations in the rate of symmetric self-renewal of BCSCs and find that small changes in BCSC behavior can give rise to the Gompertzian growth pattern observed in breast tumors. Finally, we examine stochastic reaction kinetic simulations in which elements of the breast cancer stem cell niche are inhibited individually and in combination. We find that slowing self-renewal and disrupting the positive feedback loop between IL-6, Stat3 activation, and NF-κB signaling by simultaneous inhibition of IL-6 and HER2 is the most effective combination to eliminate both mesenchymal and epithelial populations of BCSCs. Predictions from our model and simulations show excellent agreement with experimental data showing the efficacy of combined HER2 and Il-6 blockade in reducing BCSC populations. Our findings will be directly examined in a planned clinical trial of combined HER2 and IL-6 targeted

  9. Simulation of transition radiation based beam imaging from tilted targets

    Directory of Open Access Journals (Sweden)

    L. G. Sukhikh

    2017-03-01

    Full Text Available Transverse beam profile diagnostics in linear electron accelerators is usually based on direct imaging of a beam spot via visible transition radiation. In this case the fundamental resolution limit is determined by radiation diffraction in the optical system. A method to measure beam sizes beyond the diffraction limit is to perform imaging dominated by a single-particle function (SPF, i.e. when the recorded image is dominated not by the transverse beam profile but by the image function of a point source (single electron. Knowledge of the SPF for an experimental setup allows one to extract the transverse beam size from an SPF dominated image. This paper presents an approach that allows one to calculate two-dimensional SPF dominated beam images, taking into account the target inclination angle and the depth-of-field effect. In conclusion, a simple fit function for beam size determination in the case under consideration is proposed and its applicability is tested under various conditions.

  10. Mechanotransduction in mechanically coupled pulsating cells: transition to collective constriction and mesoderm invagination simulation

    Science.gov (United States)

    Driquez, Benjamin; Bouclet, Adrien; Farge, Emmanuel

    2011-12-01

    Embryonic differentiation and morphogenesis require the coordination of the cascades of gene product expression with the morphogenetic sequence of development. The influence of mechanical deformations driven by morphogenetic movements on biochemical activities was recently revealed by the existence of mechanotransduction processes in development, involving both gene transcription and protein behaviour. In the early Drosophila embryo, apical stabilization of Myosin-II leading to mesoderm invagination at the onset of gastrulation was proposed to be triggered in response to the activation of the Fog mechanotransduction pathway by the Snail-dependent active mechanical oscillations of cell apex sizes. Here we simulate the mesoderm as mechanically coupled cells, with pulsatile forces of constriction at the cell level mimicking Snail-dependent active fluctuations of apexes. We define a critical apex diameter triggering active constriction that mimics the activation of the Fog mechanotransduction pathway leading to cell constriction. We find that collective movements trigger the dynamical transition to constriction predicting the experimental dynamics of mesoderm cell apex size decrease with a modulus of contractility four times higher than the passive modulus of elastic deformation of the cells. The contraction wave is activated in a pulsation frequency-dependent process, and propagates at multicellular scales through local cell-cell mechanical interactions. By reproducing the pattern of Snail and Fog gene product protein expression in a simulation of ventral cells, the model phenocopies the pattern of Myo-II apical stabilization, and the dynamic pattern of constriction that initiates along a central sub-domain of the mesoderm. We propose that multicellular mechanical collective effects couple with mechanotransduction biochemical mechanisms to trigger the transition of collective coordinated constriction, through a mechano-genetic process ensuring efficient and regular

  11. Mechanotransduction in mechanically coupled pulsating cells: transition to collective constriction and mesoderm invagination simulation.

    Science.gov (United States)

    Driquez, Benjamin; Bouclet, Adrien; Farge, Emmanuel

    2011-12-01

    Embryonic differentiation and morphogenesis require the coordination of the cascades of gene product expression with the morphogenetic sequence of development. The influence of mechanical deformations driven by morphogenetic movements on biochemical activities was recently revealed by the existence of mechanotransduction processes in development, involving both gene transcription and protein behaviour. In the early Drosophila embryo, apical stabilization of Myosin-II leading to mesoderm invagination at the onset of gastrulation was proposed to be triggered in response to the activation of the Fog mechanotransduction pathway by the Snail-dependent active mechanical oscillations of cell apex sizes. Here we simulate the mesoderm as mechanically coupled cells, with pulsatile forces of constriction at the cell level mimicking Snail-dependent active fluctuations of apexes. We define a critical apex diameter triggering active constriction that mimics the activation of the Fog mechanotransduction pathway leading to cell constriction. We find that collective movements trigger the dynamical transition to constriction predicting the experimental dynamics of mesoderm cell apex size decrease with a modulus of contractility four times higher than the passive modulus of elastic deformation of the cells. The contraction wave is activated in a pulsation frequency-dependent process, and propagates at multicellular scales through local cell-cell mechanical interactions. By reproducing the pattern of Snail and Fog gene product protein expression in a simulation of ventral cells, the model phenocopies the pattern of Myo-II apical stabilization, and the dynamic pattern of constriction that initiates along a central sub-domain of the mesoderm. We propose that multicellular mechanical collective effects couple with mechanotransduction biochemical mechanisms to trigger the transition of collective coordinated constriction, through a mechano-genetic process ensuring efficient and regular

  12. Workforce Transition Modeling Environment user`s guide

    Energy Technology Data Exchange (ETDEWEB)

    Stahlman, E.J.; Oens, M.A.; Lewis, R.E.

    1993-10-01

    The Pacific Northwest Laboratory (PNL) was tasked by the US Department of Energy Albuquerque Field Office (DOE-AL) to develop a workforce assessment and transition planning tool to support integrated decision making at a single DOE installation. The planning tool permits coordinated, integrated workforce planning to manage growth, decline, or transition within a DOE installation. The tool enhances the links and provides commonality between strategic, programmatic, and operations planners and human resources. Successful development and subsequent complex-wide implementation of the model also will facilitate planning at the national level by enforcing a consistent format on data that are now collected by installations in corporate-specific formats that are not amenable to national-level analyses. The workforce assessment and transition planning tool, the Workforce Transition Modeling Environment (WFTME), consists of two components: the Workforce Transition Model and the Workforce Budget Constraint Model. The Workforce Transition Model, the preponderant of the two, assists decision makers identify and evaluate alternatives for transitioning the current workforce to meet the skills required to support projected workforce requirements. The Workforce Budget Constraint Model helps estimate the number of personnel that will be affected by a given workforce budget increase or decrease and assists in identifying how the corresponding hirings or layoffs should be distributed across the Common Occupation Classification System (COCS) occupations. This user`s guide describes the use and operation of the WFTME. This includes the functions of modifying data and running models, interpreting output reports, and an approach for using the WFTME to evaluate various workforce transition scenarios.

  13. Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    Jochen S Hub

    2010-05-01

    Full Text Available We present molecular dynamics simulations of unliganded human hemoglobin (Hb A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(beta146, and they sum up to a total length of 5.6 micros. We observe spontaneous and reproducible T-->R quaternary transitions of the Hb tetramer and tertiary transitions of the alpha and beta subunits, as detected from principal component projections, from an RMSD measure, and from rigid body rotation analysis. The simulations reveal a marked asymmetry between the alpha and beta subunits. Using the mutual information as correlation measure, we find that the beta subunits are substantially more strongly linked to the quaternary transition than the alpha subunits. In addition, the tertiary populations of the alpha and beta subunits differ substantially, with the beta subunits showing a tendency towards R, and the alpha subunits showing a tendency towards T. Based on the simulation results, we present a transition pathway for coupled quaternary and tertiary transitions between the R and T conformations of Hb.

  14. A new view on exoplanet transits: Transit of Venus described using three-dimensional solar atmosphere Stagger-grid simulations

    CERN Document Server

    Chiavassa, A; Faurobert, M; Ricort, G; Tanga, P; Magic, Z; Collet, R; Asplund, M

    2015-01-01

    Stellar activity and, in particular, convection-related surface structures, potentially cause fluctuations that can affect the transit light curves. Surface convection simulations can help the interpretation of ToV. We used realistic three-dimensional radiative hydrodynamical simulation of the Sun from the Stagger-grid and synthetic images computed with the radiative transfer code Optim3D to provide predictions for the transit of Venus in 2004 observed by the satellite ACRIMSAT. We computed intensity maps from RHD simulation of the Sun and produced synthetic stellar disk image. We computed the light curve and compared it to the ACRIMSAT observations and also to the light curves obtained with solar surface representations carried out using radial profiles with different limb-darkening laws. We also applied the same spherical tile imaging method to the observations of center-to-limb Sun granulation with HINODE. We managed to explain ACRIMSAT observations of 2004 ToV and showed that the granulation pattern cause...

  15. Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

    Science.gov (United States)

    Naumis, Gerardo G

    2012-06-01

    When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

  16. Numerical simulations of the phase transition property of the explosive percolation model on Erd¨os R´enyi random network∗%Erd¨os R´enyi随机网络上爆炸渗流模型相变性质的数值模拟研究

    Institute of Scientific and Technical Information of China (English)

    李炎; 唐刚; 宋丽建; 寻之朋; 夏辉; 郝大鹏

    2013-01-01

      基于改进的Newman和Ziff算法以及有限尺寸标度理论,通过对表征渗流相变特征物理量的序参量、平均集团尺寸、二阶矩、标准偏差及尺寸不均匀性的数值模拟,分析研究了Erd¨os R´enyi随机网络上Achlioptas爆炸渗流模型的相变性质。研究表明:尽管序参量表现出了不连续相变的特征,但序参量以及其他特征物理量仍具有连续相变的幂律标度行为。因此严格地说, Erd¨os R´enyi随机网络中的爆炸渗流相变是一种奇异相变,它既不是标准的不连续相变,又与常规随机渗流表现出的连续相变处于不同的普适类。%Based on the modified Newman and Ziff algorithm combined with the finite-size scaling theory, in this present work we ana-lytically study the phase transition property of the explosive percolation model induced by Achlioptas process on the Erd¨os R´enyi random network via numerical simulations for the basic percolation quantities including the order parameter, the average cluster size, the moments, the standard deviation and the cluster heterogeneity. It is explicitly shown that all these relevant quantities display a typical power-law scaling behavior, which is the characteristic of continuous phase transition at the percolation threshold despite the fact that the order parameter presents a certain feature of discontinuous transition at the same time. Strictly, the explosive percolation transition during the Erd¨os R´enyi random network is a singular transition, which means that it is neither a standard discontinuous phase transition nor the continuous transition in the regular random percolation model.

  17. Modeling and Simulation of Low Voltage Arcs

    NARCIS (Netherlands)

    Ghezzi, L.; Balestrero, A.

    2010-01-01

    Modeling and Simulation of Low Voltage Arcs is an attempt to improve the physical understanding, mathematical modeling and numerical simulation of the electric arcs that are found during current interruptions in low voltage circuit breakers. An empirical description is gained by refined electrical

  18. Modeling and Simulation of Low Voltage Arcs

    NARCIS (Netherlands)

    Ghezzi, L.; Balestrero, A.

    2010-01-01

    Modeling and Simulation of Low Voltage Arcs is an attempt to improve the physical understanding, mathematical modeling and numerical simulation of the electric arcs that are found during current interruptions in low voltage circuit breakers. An empirical description is gained by refined electrical m

  19. Whole-building Hygrothermal Simulation Model

    DEFF Research Database (Denmark)

    Rode, Carsten; Grau, Karl

    2003-01-01

    An existing integrated simulation tool for dynamic thermal simulation of building was extended with a transient model for moisture release and uptake in building materials. Validation of the new model was begun with comparison against measurements in an outdoor test cell furnished with single mat...

  20. Phase Transition of a Distance-Dependent Ising Model on the Barabasi-Albert Network

    Institute of Scientific and Technical Information of China (English)

    DAI Jun; HE Da-Ren

    2007-01-01

    We report our investigation on the behaviour of distance-dependent Ising models,which are located on the BA model network.The interaction strength between two nodes(the spins) is considered to obey an exponential decay dependence on the geometrical distance.The Monte Carlo simulation shows a phase transition from ferromagnetism to paramagnetism,and the critical temperature approaches a constant temperature as the interaction decaying exponent increases.

  1. Phase transitions in simplified models with long-range interactions

    Science.gov (United States)

    Rocha Filho, T. M.; Amato, M. A.; Mello, B. A.; Figueiredo, A.

    2011-10-01

    We study the origin of phase transitions in several simplified models with long-range interactions. For the self-gravitating ring model, we are unable to observe a possible phase transition predicted by Nardini and Casetti [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.80.060103 80, 060103R (2009).] from an energy landscape analysis. Instead we observe a sharp, although without any nonanalyticity, change from a core-halo to a core-only configuration in the spatial distribution functions for low energies. By introducing a different class of solvable simplified models without any critical points in the potential energy we show that a behavior similar to the thermodynamics of the ring model is obtained, with a first-order phase transition from an almost homogeneous high-energy phase to a clustered phase and the same core-halo to core configuration transition at lower energies. We discuss the origin of these features for the simplified models and show that the first-order phase transition comes from the maximization of the entropy of the system as a function of energy and an order parameter, as previously discussed by Hahn and Kastner [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.72.056134 72, 056134 (2005); Eur. Phys. J. BEPJBFY1434-602810.1140/epjb/e2006-00100-7 50, 311 (2006)], which seems to be the main mechanism causing phase transitions in long-range interacting systems.

  2. SMOOTH TRANSITION LOGISTIC REGRESSION MODEL TREE

    OpenAIRE

    RODRIGO PINTO MOREIRA

    2008-01-01

    Este trabalho tem como objetivo principal adaptar o modelo STR-Tree, o qual é a combinação de um modelo Smooth Transition Regression com Classification and Regression Tree (CART), a fim de utilizá-lo em Classificação. Para isto algumas alterações foram realizadas em sua forma estrutural e na estimação. Devido ao fato de estarmos fazendo classificação de variáveis dependentes binárias, se faz necessária a utilização das técnicas empregadas em Regressão Logística, dessa forma a estimação dos pa...

  3. An Efficient 3D Stochastic Model for Predicting the Columnar-to-Equiaxed Transition in Alloy 718

    Science.gov (United States)

    Nastac, L.

    2015-06-01

    A three-dimensional (3D) stochastic model for simulating the evolution of dendritic crystals during the solidification of alloys was developed. The model includes time-dependent computations for temperature distribution, solute redistribution in the liquid and solid phases, curvature, and growth anisotropy. The 3D model can run on PCs with reasonable amount of RAM and CPU time. 3D stochastic mesoscopic simulations at the dendrite tip length scale were performed to simulate the evolution of the columnar-to-equiaxed transition in alloy 718. Comparisons between simulated microstructures and segregation patterns obtained with 2D and 3D stochastic models are also presented.

  4. Implementation of kinetics of phase transitions into hydrocode for simulation of laser ablation

    CERN Document Server

    Povarnitsyn, Mikhail E; Khishchenko, Konstantin V

    2014-01-01

    We model an interaction of femtosecond laser pulses (800 nm, 100 fs, 1-100 TW/cm$^2$) with metal targets (Al, Au, Cu, and Ni). A detailed analysis of laser-induced phase transitions, melting wave propagation and material decomposition is performed using a thermodynamically complete two-temperature equation of state with stable and metastable phases. Material evaporation from the surface of the target and fast melting wave propagation into the bulk are observed. On rarefaction, the liquid phase becomes metastable and its lifetime is estimated using the theory of homogeneous nucleation. Mechanical fragmentation of the target material at high strain rates is also possible because of void growth and confluence. In our simulation several ablation mechanisms are observed but the major output of the material is found to originate from the metastable liquid state. It can be decomposed either into a liquid-gas mixture near the critical point, or into droplets at high strain rates and negative pressure. The simulation ...

  5. Metastable liquid-liquid transition in a molecular model of water

    Science.gov (United States)

    Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2014-06-01

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  6. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Khokhlov, Alexei [Univ. of Chicago, IL (United States). Dept. of Astronomy and Astrophysics. Enrico Fermi Inst.; Austin, Joanna [Argonne National Lab. (ANL), Argonne, IL (United States). Argonne Leadership Computing Facility; Bacon, C. [Univ. of Illinois, Urbana, IL (United States). Dept. of Aerospace Engineering

    2015-03-02

    Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagration-to-detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H2 + O2). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratory, currently the fourth fastest super-computer in the world.

  7. Whole-building Hygrothermal Simulation Model

    DEFF Research Database (Denmark)

    Rode, Carsten; Grau, Karl

    2003-01-01

    An existing integrated simulation tool for dynamic thermal simulation of building was extended with a transient model for moisture release and uptake in building materials. Validation of the new model was begun with comparison against measurements in an outdoor test cell furnished with single...... materials. Almost quasi-steady, cyclic experiments were used to compare the indoor humidity variation and the numerical results of the integrated simulation tool with the new moisture model. Except for the case with chipboard as furnishing, the predictions of indoor humidity with the detailed model were...

  8. Simulation model of metallurgical production management

    Directory of Open Access Journals (Sweden)

    P. Šnapka

    2013-07-01

    Full Text Available This article is focused to the problems of the metallurgical production process intensification. The aim is the explaining of simulation model which presents metallurgical production management system adequated to new requirements. The knowledge of a dynamic behavior and features of metallurgical production system and its management are needed to this model creation. Characteristics which determine the dynamics of metallurgical production process are characterized. Simulation model is structured as functional blocks and their linkages with regard to organizational and temporal hierarchy of their actions. The creation of presented simulation model is based on theoretical findings of regulation, hierarchical systems and optimization.

  9. Modeling the competing phase transition pathways in nanoscale olivine electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Tang Ming, E-mail: tang25@llnl.go [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Carter, W. Craig [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Belak, James F. [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Chiang, Yet-Ming [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2010-12-30

    Recent experimental developments reveal that nanoscale lithium iron phosphate (LiFePO{sub 4}) olivine particles exhibit very different phase transition behavior from the bulk olivine phase. A crystalline-to-amorphous phase transition has been observed in nanosized particles in competition with the equilibrium phase transition between the lithium-rich and lithium-poor olivine phases. Here we apply a diffuse-interface (phase-field) model to study the kinetics of the different phase transition pathways in nanosized LiFePO{sub 4} particles upon delithiation. We find that the nucleation and growth kinetics of the crystalline-to-crystalline and crystalline-to-amorphous phase transformations are sensitive to the applied electrical overpotential and particle size, which collectively determine the preferred phase transition pathway. While the crystalline-to-crystalline phase transition is favored by either faster nucleation or growth kinetics at low or high overpotentials, particle amorphization dominates at intermediate overpotentials. Decreasing particle size expands the overpotential region in which amorphization is preferred. The asymmetry in the nucleation energy barriers for amorphization and recrystallization results in a phase transition hysteresis that should promote the accumulation of the amorphous phase in electrodes after repeated electrochemical cycling. The predicted overpotential- and size-dependent phase transition behavior of nanoscale LiFePO{sub 4} particles is consistent with experimental observations.

  10. Molecular dynamics simulations on specific heat capacity and glass transition tempera-ture of liquid silver

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The embedded-atom method is adopted to simulate the specific heat capacity of liquid silver. The relationship between the specific heat capacity and the temperature above and below melting point is derived. The results show that there exists an anormaly of the specific heat capacity of liquid silver near 950 K. Simulated pair distribution functions show that the liquid-to-glass transition takes place at this temperature.

  11. A reservoir simulation approach for modeling of naturally fractured reservoirs

    Directory of Open Access Journals (Sweden)

    H. Mohammadi

    2012-12-01

    Full Text Available In this investigation, the Warren and Root model proposed for the simulation of naturally fractured reservoir was improved. A reservoir simulation approach was used to develop a 2D model of a synthetic oil reservoir. Main rock properties of each gridblock were defined for two different types of gridblocks called matrix and fracture gridblocks. These two gridblocks were different in porosity and permeability values which were higher for fracture gridblocks compared to the matrix gridblocks. This model was solved using the implicit finite difference method. Results showed an improvement in the Warren and Root model especially in region 2 of the semilog plot of pressure drop versus time, which indicated a linear transition zone with no inflection point as predicted by other investigators. Effects of fracture spacing, fracture permeability, fracture porosity, matrix permeability and matrix porosity on the behavior of a typical naturally fractured reservoir were also presented.

  12. Simulation modeling for the health care manager.

    Science.gov (United States)

    Kennedy, Michael H

    2009-01-01

    This article addresses the use of simulation software to solve administrative problems faced by health care managers. Spreadsheet add-ins, process simulation software, and discrete event simulation software are available at a range of costs and complexity. All use the Monte Carlo method to realistically integrate probability distributions into models of the health care environment. Problems typically addressed by health care simulation modeling are facility planning, resource allocation, staffing, patient flow and wait time, routing and transportation, supply chain management, and process improvement.

  13. Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, M., E-mail: mrivera@fisica.unam.m [Imperial College London, Department of Chemistry, South Kensington Campus, London SW7 2AZ (United Kingdom); Rios-Reyes, C.H. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, Av. San Pablo 180, Col. Reynosa Tamaulipas, C.P. 02200, Mexico D.F. (Mexico); Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico); Mendoza-Huizar, L.H. [Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico)

    2011-04-15

    The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: > Electrodeposition of cobalt clusters. > Mono to multidomain magnetic transition. > Magnetic phase diagram.

  14. Warehouse Simulation Through Model Configuration

    NARCIS (Netherlands)

    Verriet, J.H.; Hamberg, R.; Caarls, J.; Wijngaarden, B. van

    2013-01-01

    The pre-build development of warehouse systems leads from a specific customer request to a specific customer quotation. This involves a process of configuring a warehouse system using a sequence of steps that contain increasingly more details. Simulation is a helpful tool in analyzing warehouse desi

  15. Station Model for Rail Transit System Using Cellular Automata

    Institute of Scientific and Technical Information of China (English)

    XUN Jing; NING Bin; LI Ke-Ping

    2009-01-01

    In this paper, we propose a new cellular automata model to simulate the railway traffic at station.Based on NaSch model, the proposed station model is composed of the main track and the siding track.Two different schemes for trains passing through station are considered.One is the scheme of "pass by the main track, start and stop by the siding track".The other is the scheme of "two tracks play the same role".We simulate the train movement using the proposed model and analyze the traffic flow at station.The simulation results demonstrate that the proposed cellular automata model can be successfully used for the simulations of railway traffic.Some characteristic behaviors of railway traffic flow can be reproduced.Moreover, the simulation values of the minimum headway are close to the theoretical values.This result demonstrates the dependability and availability of the proposed model.

  16. A semiclassical model for the calculation of nonadiabatic transition probabilities for classically forbidden transitions.

    Science.gov (United States)

    Dang, Phuong-Thanh; Herman, Michael F

    2009-02-01

    A semiclassical surface hopping model is presented for the calculation of nonadiabatic transition probabilities for the case in which the avoided crossing point is in the classically forbidden regions. The exact potentials and coupling are replaced with simple functional forms that are fitted to the values, evaluated at the turning point in the classical motion, of the Born-Oppenheimer potentials, the nonadiabatic coupling, and their first few derivatives. For the one-dimensional model considered, reasonably accurate results for transition probabilities are obtained down to around 10(-10). The possible extension of this model to many dimensional problems is discussed. The fact that the model requires only information at the turning point, a point that the trajectories encounter would be a significant advantage in many dimensional problems over Landau-Zener type models, which require information at the avoided crossing seam, which is in the forbidden region where the trajectories do not go.

  17. The effects of radiative and microphysical processes on simulated warm and transition season arctic stratus

    Science.gov (United States)

    Harrington, Jerry Y.

    A cloud-resolving model (CRM) version of RAMS, coupled to explicit bin resolving microphysics and a new two-stream radiative transfer code is used to study various aspects of Arctic stratus clouds (ASC). The two-stream radiative transfer model is coupled in a consistent fashion to the bulk microphysical parameterization of Walko et al., (1995), an explicit liquid bin microphysical model (e.g., Feingold et al., 1996a) and a mixed-phase microphysical model (Reisin et al., 1996). These models are used to study both warm (summer) season and transition (fall and spring) season ASC. Equations are developed for the inclusion of the radiative term in the drop growth equation and the effect is studied in a trajectory parcel model (TPM) and the CRM. Arctic stratus simulated with the new CRM framework compared well with the observations of Curry (1986). Along with CCN concentrations, it is shown that drop distribution shape and optical property methods strongly impact cloud evolution through their effect on the radiative properties. Broader cloud top distributions lead to clouds with more shallow depths and circulation strengths as more shortwave radiation is absorbed while the opposite occurs for narrow distribution functions. Radiative-cloud interactions using mean effective radii are shown to be problematic, while conserving re and N of the distribution function (as per Hu and Stamnes, 1993) produces similar cloud evolution as compared to detailed computations. Radiative effects on drop vapor deposition growth can produce drizzle about 30 minutes earlier and is strongly dependent upon cloud top residence time of the parcels. The same set of trajectories assists drizzle production in the radiation and no-radiation cases. Not only is the growth of larger drops enhanced by the radiative effect, but drops with rCRM show a smaller impact of the radiative influence; this is attributed to the spurious production of cloud top supersaturations by Eulerian models (Stevens et al

  18. Modeling and Simulation of Matrix Converter

    DEFF Research Database (Denmark)

    Liu, Fu-rong; Klumpner, Christian; Blaabjerg, Frede

    2005-01-01

    This paper discusses the modeling and simulation of matrix converter. Two models of matrix converter are presented: one is based on indirect space vector modulation and the other is based on power balance equation. The basis of these two models is• given and the process on modeling is introduced...

  19. Lifshitz Transitions in Magnetic Phases of the Periodic Anderson Model

    Science.gov (United States)

    Kubo, Katsunori

    2015-09-01

    We investigate the reconstruction of a Fermi surface, which is called a Lifshitz transition, in magnetically ordered phases of the periodic Anderson model on a square lattice with a finite Coulomb interaction between f electrons. We apply the variational Monte Carlo method to the model by using the Gutzwiller wavefunctions for the paramagnetic, antiferromagnetic, ferromagnetic, and charge-density-wave states. We find that an antiferromagnetic phase is realized around half-filling and a ferromagnetic phase is realized when the system is far away from half-filling. In both magnetic phases, Lifshitz transitions take place. By analyzing the electronic states, we conclude that the Lifshitz transitions to large ordered-moment states can be regarded as itinerant-localized transitions of the f electrons.

  20. Nonlinear response and dynamical transitions in a phase-field crystal model for adsorbed overlayers

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, J A P [Departamento de Ciencias Exatas, Universidade Estadual do Sudoeste da Bahia, 45000-000 Vitoria da Conquista, BA (Brazil); Granato, E [Laboratorio Associado de Sensores e Materiais, Instituto Nacional de Pesquisas Espaciais, 12245-970 Sao Jose dos Campos, SP (Brazil); Ying, S C; Ala-Nissila, T [Department of Physics, PO Box 1843, Brown University, Providence, RI 02912-1843 (United States); Achim, C V [Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11000, FI-00076 Aalto, Espoo (Finland); Elder, K R, E-mail: Jorge@las.inpe.b [Department of Physics, Oakland University, Rochester, Michigan 48309-4487 (United States)

    2010-09-01

    The nonlinear response and sliding friction behavior of a phase-field crystal model for driven adsorbed atomic layers is determined numerically. The model describes the layer as a continuous density field coupled to the pinning potential of the substrate and under an external driving force. Dynamical equations which take into account both thermal fluctuations and inertial effects are used for numerical simulations of commensurate and incommensurate layers. At low temperatures, the velocity response of an initially commensurate layer shows hysteresis with dynamical melting and freezing transitions at different critical forces. The main features of the sliding friction behavior are similar to the results obtained previously from molecular dynamics simulations of particle models. However, the dynamical transitions correspond to nucleations of stripes rather than closed domains.

  1. Quantum simulation of the t- J model

    Science.gov (United States)

    Yamaguchi, Fumiko; Yamamoto, Yoshihisa

    2002-12-01

    Computer simulation of a many-particle quantum system is bound to reach the inevitable limits of its ability as the system size increases. The primary reason for this is that the memory size used in a classical simulator grows polynomially whereas the Hilbert space of the quantum system does so exponentially. Replacing the classical simulator by a quantum simulator would be an effective method of surmounting this obstacle. The prevailing techniques for simulating quantum systems on a quantum computer have been developed for purposes of computing numerical algorithms designed to obtain approximate physical quantities of interest. The method suggested here requires no numerical algorithms; it is a direct isomorphic translation between a quantum simulator and the quantum system to be simulated. In the quantum simulator, physical parameters of the system, which are the fixed parameters of the simulated quantum system, are under the control of the experimenter. A method of simulating a model for high-temperature superconducting oxides, the t- J model, by optical control, as an example of such a quantum simulation, is presented.

  2. Transitions in a genotype selection model driven by coloured noises

    Institute of Scientific and Technical Information of China (English)

    Wang Can-Jun; Mei Dong-Cheng

    2008-01-01

    This paper investigates a genotype selection model subjected to both a multiplicative coloured noise and an additive coloured noise with different correlation time T1 and T2 by means of the numerical technique.By directly simulating the Langevin Equation,the following results are obtained.(1) The multiplicative coloured noise dominates,however,the effect of the additive coloured noise is not neglected in the practical gene selection process.The selection rate μ decides that the selection is propitious to gene A haploid or gene B haploid.(2) The additive coloured noise intensity α and the correlation time T2 play opposite roles.It is noted that α and T2 can not separate the single peak,while αcan make the peak disappear and T2 can make the peak be sharp.(3) The multiplicative coloured noise intensity D and the correlation time T1 can induce phase transition,at the same time they play opposite roles and the reentrance phenomenon appears.In this case,it is easy to select one type haploid from the group with increasing D and decreasing T1.

  3. CAUSA - An Environment For Modeling And Simulation

    Science.gov (United States)

    Dilger, Werner; Moeller, Juergen

    1989-03-01

    CAUSA is an environment for modeling and simulation of dynamic systems on a quantitative level. The environment provides a conceptual framework including primitives like objects, processes and causal dependencies which allow the modeling of a broad class of complex systems. The facility of simulation allows the quantitative and qualitative inspection and empirical investigation of the behavior of the modeled system. CAUSA is implemented in Knowledge-Craft and runs on a Symbolics 3640.

  4. Liquid-liquid transition in supercooled water suggested by microsecond simulations.

    Science.gov (United States)

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-07-23

    The putative liquid-liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid-liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the supercooled regime with the critical point at ~207 K and 50 MPa. Normal water is high-density liquid (HDL). Low-density liquid (LDL) emerges at lower temperatures. The LDL phase has a density only slightly larger than that of the ice-Ih and shows more long-range order than HDL. However, the transformation from LDL to HDL is spontaneous across the first-order phase transition line, suggesting the LDL configuration is not poorly formed nanocrystalline ice. It has been demonstrated in the past that the WAIL potential provides reliable predictions of water properties such as melting temperature and temperature of maximum density. Compared with other simple water potentials, WAIL is not biased by fitting to experimental properties, and simulation with this potential reflects the prediction of a high-quality first-principle potential energy surface.

  5. Superconductor-insulator transition in the d-p model

    CERN Document Server

    Arimoto, T; Tsuruta, A; Kobayashi, A; Kuroda, Y

    2003-01-01

    We investigate a transition between the superconducting phase and the Mott insulator phase in the d-p model by using the slave-boson method and the 1/N-expansion theory, where the pairing interaction is given by the superexchange interaction J sub s. We show that the competition between the pairing interaction and the Fermi energy induces the transition at finite doping rate. (author)

  6. Phase Transitions in Two-Dimensional Traffic Flow Models

    CERN Document Server

    Cuesta, J A; Molera, J M; Cuesta, José A; Martinez, Froilán C; Molera, Juan M

    1993-01-01

    Abstract: We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.

  7. Phase Transitions in Two-Dimensional Traffic Flow Models

    CERN Document Server

    Cuesta, José A; Molera, Juan M; Escuela, Angel Sánchez; 10.1103/PhysRevE.48.R4175

    2009-01-01

    We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.

  8. Transitional Description of Diatomic Molecules in U(4) Vibron Model

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xin; PAN Feng

    2004-01-01

    U(3)-O(4) transitional description of diatomic molecules in the U(4) vibron model is studied by using the algebraic Bethe ansatz, in which the O(4) limit is a special case of the theory. Vibrational band-heads of some typical diatornic molecules are fitted by both transitional theory and the O(4) limit within the same framework. The results show that there are evident deviations from the O(4) limit in description of vibrational spectra of some diatomic molecules.

  9. Radiative transitions in mesons in a non relativistic quark model

    OpenAIRE

    Bonnaz, R.; Silvestre-Brac, B.; Gignoux, C.

    2001-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experi...

  10. Radiative transitions in mesons in a non relativistic quark model

    CERN Document Server

    Bonnaz, R; Gignoux, C

    2002-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experimental data is quite good, but some improvements are suggested.

  11. Modeling and Simulation of Matrix Converter

    DEFF Research Database (Denmark)

    Liu, Fu-rong; Klumpner, Christian; Blaabjerg, Frede

    2005-01-01

    This paper discusses the modeling and simulation of matrix converter. Two models of matrix converter are presented: one is based on indirect space vector modulation and the other is based on power balance equation. The basis of these two models is• given and the process on modeling is introduced...... in details. The results of simulations developed for different researches reveal that different mdel may be suitable for different purpose, thus the model should be chosen different carefully. Some details and tricks in modeling are also introduced which give a reference for further research....

  12. Simulation-based Manufacturing System Modeling

    Institute of Scientific and Technical Information of China (English)

    卫东; 金烨; 范秀敏; 严隽琪

    2003-01-01

    In recent years, computer simulation appears to be very advantageous technique for researching the resource-constrained manufacturing system. This paper presents an object-oriented simulation modeling method, which combines the merits of traditional methods such as IDEF0 and Petri Net. In this paper, a four-layer-one-angel hierarchical modeling framework based on OOP is defined. And the modeling description of these layers is expounded, such as: hybrid production control modeling and human resource dispatch modeling. To validate the modeling method, a case study of an auto-product line in a motor manufacturing company has been carried out.

  13. Phase transitions in models of human cooperation

    Science.gov (United States)

    Perc, Matjaž

    2016-08-01

    If only the fittest survive, why should one cooperate? Why should one sacrifice personal benefits for the common good? Recent research indicates that a comprehensive answer to such questions requires that we look beyond the individual and focus on the collective behavior that emerges as a result of the interactions among individuals, groups, and societies. Although undoubtedly driven also by culture and cognition, human cooperation is just as well an emergent, collective phenomenon in a complex system. Nonequilibrium statistical physics, in particular the collective behavior of interacting particles near phase transitions, has already been recognized as very valuable for understanding counterintuitive evolutionary outcomes. However, unlike pairwise interactions among particles that typically govern solid-state physics systems, interactions among humans often involve group interactions, and they also involve a larger number of possible states even for the most simplified description of reality. Here we briefly review research done in the realm of the public goods game, and we outline future research directions with an emphasis on merging the most recent advances in the social sciences with methods of nonequilibrium statistical physics. By having a firm theoretical grip on human cooperation, we can hope to engineer better social systems and develop more efficient policies for a sustainable and better future.

  14. Molecular Dynamics Simulations of Trichomonas vaginalis Ferredoxin Show a Loop-Cap Transition

    Energy Technology Data Exchange (ETDEWEB)

    Weksberg, Tiffany E; Lynch, Gillian C; Krause, Kurt; Pettitt, Bernard M

    2007-05-01

    The crystal structure of the oxidized Trichomonas vaginalis ferredoxin (Tvfd) showed a unique crevice that exposed the redox center. Here we have examined the dynamics and solvation of the active site of Tvfd using molecular dynamics simulations of both the reduced and oxidized states. The oxidized simulation stays true to the crystal form with a heavy atom root mean-squared deviation of 2Å . However, within the reduced simulation of Tvfd a profound loop-cap transition into the redox center occurred within 6-ns of the start of the simulation and remained open throughout the rest of the 20-ns simulation. This large opening seen in the simulations supports the hypothesis that the exceptionally fast electron transfer rate between Tvfd and the drug metronidazole is due to the increased access of the antibiotic to the redox center of the protein and not due to the reduction potential.

  15. Molecular Dynamics Simulations of Trichomonas vaginalis Ferredoxin Show a Loop-Cap Transition.

    Energy Technology Data Exchange (ETDEWEB)

    Weksberg, Tiffany E; Lynch, Gillian C; Krause, Kurt; Pettitt, Bernard M

    2007-05-01

    The crystal structure of the oxidized Trichomonas vaginalis ferredoxin (Tvfd) showed a unique crevice that exposed the redox center. Here we have examined the dynamics and solvation of the active site of Tvfd using molecular dynamics simulations of both the reduced and oxidized states. The oxidized simulation stays true to the crystal form with a heavy atom root mean-squared deviation of 2Å. However, within the reduced simulation of Tvfd a profound loop-cap transition into the redox center occurred within 6-ns of the start of the simulation and remained open throughout the rest of the 20-ns simulation. This large opening seen in the simulations supports the hypothesis that the exceptionally fast electron transfer rate between Tvfd and the drug metronidazole is due to the increased access of the antibiotic to the redox center of the protein and not due to the reduction potential.

  16. Stochastic transition model for pedestrian dynamics

    CERN Document Server

    Schultz, Michael

    2012-01-01

    The proposed stochastic model for pedestrian dynamics is based on existing approaches using cellular automata, combined with substantial extensions, to compensate the deficiencies resulting of the discrete grid structure. This agent motion model is extended by both a grid-based path planning and mid-range agent interaction component. The stochastic model proves its capabilities for a quantitative reproduction of the characteristic shape of the common fundamental diagram of pedestrian dynamics. Moreover, effects of self-organizing behavior are successfully reproduced. The stochastic cellular automata approach is found to be adequate with respect to uncertainties in human motion patterns, a feature previously held by artificial noise terms alone.

  17. Transition path sampling and other advanced simulation techniques for rare events

    NARCIS (Netherlands)

    Dellago, C.; Bolhuis, P.G.; Holm, C.; Kremer, K.

    2009-01-01

    Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are often complicated by widely disparate time scales related to important but rare events. Here, we will review sev eral recently developed computational methods designed to

  18. TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS

    NARCIS (Netherlands)

    MAVRI, J; BERENDSEN, HJC

    1994-01-01

    A density matrix evolution (DME) method (H.J.C. Berendsen and J. Mavri, J. Phys. Chem., 97 (1993) 13469) to simulate the dynamics of quantum systems embedded in a classical environment is presented. The DME method allows treatment of nonadiabatic transitions. As numerical examples the collinear coll

  19. Direct Numerical Simulation of structural vacillation in the transition to geostrophic turbulence

    CERN Document Server

    Randriamampianina, Anthony; Fruh, Wolf-Gerrit; Read, Peter L

    2007-01-01

    The onset of small-scale fluctuations around a steady convection pattern in a rotating baroclinic annulus filled with air is investigated using Direct Numerical Simulation. In previous laboratory experiments of baroclinic waves, such fluctuations have been associated with a flow regime termed Structural Vacillation which is regarded as the first step in the transition to fully-developed geostrophic turbulence.

  20. Multiscale Model Approach for Magnetization Dynamics Simulations

    CERN Document Server

    De Lucia, Andrea; Tretiakov, Oleg A; Kläui, Mathias

    2016-01-01

    Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a multiscale magnetization dynamics simulation approach that can be applied to large systems with spin structures that vary locally on small length scales. To implement this, the conventional micromagnetic simulation framework has been expanded to include a multiscale solving routine. The software selectively simulates different regions of a ferromagnetic sample according to the spin structures located within in order to employ a suitable discretization and use either a micromagnetic or an atomistic model. To demonstrate the validity of the multiscale approach, we simulate the spin wave transmission across the regions simulated with the two different models and different discretizations. We find that the interface between the regions is fully transparent for spin waves with f...

  1. Dynamic Monte Carlo simulation on behavior of phase transition of a random magnetic system in finite observation time

    Energy Technology Data Exchange (ETDEWEB)

    Kitazaki, Tamotsu; Kato, Tomohiko, E-mail: katou@fit.ac.jp

    2014-03-15

    Random magnets generally exhibit gradual phase transitions more or less. The origin of the phenomena has been controversial for a long time: intrinsic phenomena of disordered magnets or non-equilibrium effect due to finite observation time. We now support the latter, but there have not been clear evidences experimentally and theoretically. We show that the behavior of phase transition of a simple random magnetic system differs in the observation time by using a dynamic Monte Carlo simulation. The target of the simulation is experiments of the line width of NMR spin-echo spectra, a type of the order parameter, on Mn{sub x}Cd{sub 1−x} (HCOO){sub 2}·2(NH{sub 2})2CO. The calculated results indicate that, as the averaging time becomes shorter, the phase transition becomes more gradual. This tendency is most pronounced around the percolation concentration. The calculated results coincide well with the characteristic features of the experimental results. This coincidence supports that the smearing behavior of the order parameter is a non-equilibrium effect, though Ising model employed in the simulation is different with Heisenberg system of the target substance.

  2. Double transitions in the fully frustrated XY model

    Science.gov (United States)

    Jeon, Gun Sang; Park, Sung Yong; Choi, M. Y.

    1997-06-01

    The fully frustrated XY model is studied via the position-space renormalization group approach. The model is mapped into two coupled XY models, for which the scaling equations are derived. By integrating directly the scaling equations, we observe that there exists a narrow temperature range in which both the vortex and coupling charge fugacities grow large, suggesting double transitions in the system. While the transition at lower temperature is identified to be of the Kosterlitz-Thouless type, the higher-temperature one appears not to be of the Ising universality class.

  3. The transition to emerging revenue models.

    Science.gov (United States)

    Harris, John M; Hemnani, Rashi

    2013-04-01

    A financial assessment aimed at gauging the true impact of the healthcare industry's new value-based payment models for a health system should begin with separate analyses of the following: The direct contract results, The impact of volume changes on net income, The impact of operational improvements, Net income at risk from competitor actions. The results of these four analyses then should be evaluated in combination to identify the ultimate impact of the new revenue models on the health system's bottom line.

  4. Large scale simulation numerical study of transition to turbulence in jets; Etude numerique par simulation des grandes echelles de la transition a la turbulence dans les jets

    Energy Technology Data Exchange (ETDEWEB)

    Urbin, Gerald [Institut National Polytechnique, 38 - Grenoble (France)

    1998-02-02

    This study highlights the potentialities of the numerical technique of large scale simulation in describing and understanding the turbulent flows in a complex geometry. Particularly, it is focussed on flows of free jet, confined jets and multiple jets of high solidity grid. Spatial simulations of the circular zone close to a free jet, of high Reynolds number were performed. In spite of an evident sensitivity to upstream conditions good agreement between our statistical predictions and different experimental measurements was obtained. The multiple coherent vortical structures implied in the transition to turbulence of the jet were found. At the same time, helical or annular axisymmetric vortices were observed. Also, an original vortical arrangement was evidenced, resulting from the alternating inclination and local pairing of these rings. It could been forced through an ad-hoc excitation which modifies subsequently drastically the jet development. When an axisymmetric excitation is imposed after formation of annular structures, pairs of counter-rotative longitudinal vortices occur and generate lateral jets. Their nature and presence in case of a helical excitation are discussed. An efficient method for controlling their number is developed. Then, one is studied the very low frequency periodic phenomenon of backward-facing transition to turbulence which develops in the confined jet and grid multiple jets (a phenomenon generic in numerous flows). It was found to depend not only on the characteristic of the re-circulation (pre-transition) zones but also on the upstream flow (zone of post-transition stagnation, pressure effect). Large scale transversal motions of the fluid have been found beginning from the grid. An interpretation of this phenomenon is suggested 193 refs., 109 figs.

  5. Systematic modelling and simulation of refrigeration systems

    DEFF Research Database (Denmark)

    Rasmussen, Bjarne D.; Jakobsen, Arne

    1998-01-01

    The task of developing a simulation model of a refrigeration system can be very difficult and time consuming. In order for this process to be effective, a systematic method for developing the system model is required. This method should aim at guiding the developer to clarify the purpose of the s......The task of developing a simulation model of a refrigeration system can be very difficult and time consuming. In order for this process to be effective, a systematic method for developing the system model is required. This method should aim at guiding the developer to clarify the purpose...... of the simulation, to select appropriate component models and to set up the equations in a well-arranged way. In this paper the outline of such a method is proposed and examples showing the use of this method for simulation of refrigeration systems are given....

  6. 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.

  7. Systematic modelling and simulation of refrigeration systems

    DEFF Research Database (Denmark)

    Rasmussen, Bjarne D.; Jakobsen, Arne

    1998-01-01

    The task of developing a simulation model of a refrigeration system can be very difficult and time consuming. In order for this process to be effective, a systematic method for developing the system model is required. This method should aim at guiding the developer to clarify the purpose...... of the simulation, to select appropriate component models and to set up the equations in a well-arranged way. In this paper the outline of such a method is proposed and examples showing the use of this method for simulation of refrigeration systems are given....

  8. HVDC System Characteristics and Simulation Models

    Energy Technology Data Exchange (ETDEWEB)

    Moon, S.I.; Han, B.M.; Jang, G.S. [Electric Enginnering and Science Research Institute, Seoul (Korea)

    2001-07-01

    This report deals with the AC-DC power system simulation method by PSS/E and EUROSTAG for the development of a strategy for the reliable operation of the Cheju-Haenam interconnected system. The simulation using both programs is performed to analyze HVDC simulation models. In addition, the control characteristics of the Cheju-Haenam HVDC system as well as Cheju AC system characteristics are described in this work. (author). 104 figs., 8 tabs.

  9. Nonequilibrium Markov state modeling of the globule-stretch transition

    Science.gov (United States)

    Knoch, Fabian; Speck, Thomas

    2017-01-01

    We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a nonequilibrium steady state. We apply this method to study the globule-stretch transition of a single tethered model polymer in shear flow. The folding and unfolding rates of the coarse-grained model agree with the original detailed model. We demonstrate that the folding and unfolding proceeds through the same narrow region of configuration space but along different cycles.

  10. Predicting Glass Transition Temperature of Polyethylene/Graphene Nanocomposites by Molecular Dynamic Simulation

    Institute of Scientific and Technical Information of China (English)

    SHENG Yan-zhen; YANG Hua; LI Jun-yin; SUN Miao

    2013-01-01

    The glass transition temperature of polyethylene/graphene nanocomposites was investigated by molecular dynamic simulation.The specific volumes of three systems(polyethylene,polyethylene with a small graphene sheet and two small graphene sheets) were examined as a function of temperature.We found that the glass transition temperature decreases with increasing graphene.Then the van der Waals energy changes obviously with increasing graphene and the torsion energy also plays an important role in the glass transition of polymer.The radial distribution functions of the inter-molecular carbon atoms suggest the interaction between PE and graphene weakens with increasing graphene.These indicate that graphene can prompt the motion of chain segments of polymer and decrease the glass transition temperature (Tg) of polymer.

  11. Simulation modeling and analysis with Arena

    Energy Technology Data Exchange (ETDEWEB)

    Tayfur Altiok; Benjamin Melamed [Rutgers University, NJ (United States). Department of Industrial and Systems Engineering

    2007-06-15

    The textbook which treats the essentials of the Monte Carlo discrete-event simulation methodology, and does so in the context of a popular Arena simulation environment. It treats simulation modeling as an in-vitro laboratory that facilitates the understanding of complex systems and experimentation with what-if scenarios in order to estimate their performance metrics. The book contains chapters on the simulation modeling methodology and the underpinnings of discrete-event systems, as well as the relevant underlying probability, statistics, stochastic processes, input analysis, model validation and output analysis. All simulation-related concepts are illustrated in numerous Arena examples, encompassing production lines, manufacturing and inventory systems, transportation systems, and computer information systems in networked settings. Chapter 13.3.3 is on coal loading operations on barges/tugboats.

  12. SU(2)-Invariant Continuum Theory for an Unconventional Phase Transition in a Three-Dimensional Classical Dimer Model

    Science.gov (United States)

    Powell, Stephen; Chalker, J. T.

    2008-10-01

    We derive a continuum theory for the phase transition in a classical dimer model on the cubic lattice, observed in recent Monte Carlo simulations. Our derivation relies on the mapping from a three-dimensional classical problem to a two-dimensional quantum problem, by which the dimer model is related to a model of hard-core bosons on the kagome lattice. The dimer-ordering transition becomes a superfluid Mott insulator quantum phase transition at fractional filling, described by an SU(2)-invariant continuum theory.

  13. Models of agglomeration and glass transition

    CERN Document Server

    Kerner, Richard

    2007-01-01

    This book is for any physicist interested in new vistas in the domain of non-crystalline condensed matter, aperiodic and quasi-crystalline networks and especially glass physics and chemistry. Students with an elementary background in thermodynamics and statistical physics will find the book accessible. The physics of glasses is extensively covered, focusing on their thermal and mechanical properties, as well as various models leading to the formation of the glassy states of matter from overcooled liquids. The models of agglomeration and growth are also applied to describe the formation of quasicrystals, fullerenes and, in biology, to describe virus assembly pathways.

  14. The Work of Cultural Transition: An Emerging Model

    Directory of Open Access Journals (Sweden)

    Tatiana V. Ryba

    2016-03-01

    Full Text Available In today’s uncertain, fluid job market, transnational mobility has intensified. Though the concept of cultural transition is increasingly used in sport and career research, insight into the processes of how individuals produce their own development through work and relationships in shifting cultural patterns of meaning remains limited. The transnational industry of sports, in which athletes’ psychological adjustment to cultural transitions has implications for both performance and meaningful life, serves as a backdrop for this article. This study applied the life story method to interviews with 15 professional and semi-professional athletes, focusing particularly on the cultural transition aspect of their transnational athletic careers. The aims of the study were to identify the developmental tasks of cultural transitions and strategies/mechanisms through which cultural transitions were enacted. Three underlying mechanisms of the transition process that assisted athletic career adaptability were social repositioning, negotiation of cultural practices, and meaning reconstruction. Based on the data analyses, a temporal model of cultural transition is proposed. The results of this research provide professionals working in the fields of career counseling and migrant support with a content framework for enhancing migrant workers’ adaptabilities and psychological wellbeing.

  15. Object Oriented Modelling and Dynamical Simulation

    DEFF Research Database (Denmark)

    Wagner, Falko Jens; Poulsen, Mikael Zebbelin

    1998-01-01

    This report with appendix describes the work done in master project at DTU.The goal of the project was to develop a concept for simulation of dynamical systems based on object oriented methods.The result was a library of C++-classes, for use when both building componentbased models and when...... onduction simulation experiments....

  16. Modeling and simulation for RF system design

    CERN Document Server

    Frevert, Ronny; Jancke, Roland; Knöchel, Uwe; Schwarz, Peter; Kakerow, Ralf; Darianian, Mohsen

    2005-01-01

    Focusing on RF specific modeling and simulation methods, and system and circuit level descriptions, this work contains application-oriented training material. Accompanied by a CD- ROM, it combines the presentation of a mixed-signal design flow, an introduction into VHDL-AMS and Verilog-A, and the application of commercially available simulators.

  17. Effects of running with backpack loads during simulated gravitational transitions: Improvements in postural control

    Science.gov (United States)

    Brewer, Jeffrey David

    The National Aeronautics and Space Administration is planning for long-duration manned missions to the Moon and Mars. For feasible long-duration space travel, improvements in exercise countermeasures are necessary to maintain cardiovascular fitness, bone mass throughout the body and the ability to perform coordinated movements in a constant gravitational environment that is six orders of magnitude higher than the "near weightlessness" condition experienced during transit to and/or orbit of the Moon, Mars, and Earth. In such gravitational transitions feedback and feedforward postural control strategies must be recalibrated to ensure optimal locomotion performance. In order to investigate methods of improving postural control adaptation during these gravitational transitions, a treadmill based precision stepping task was developed to reveal changes in neuromuscular control of locomotion following both simulated partial gravity exposure and post-simulation exercise countermeasures designed to speed lower extremity impedance adjustment mechanisms. The exercise countermeasures included a short period of running with or without backpack loads immediately after partial gravity running. A novel suspension type partial gravity simulator incorporating spring balancers and a motor-driven treadmill was developed to facilitate body weight off loading and various gait patterns in both simulated partial and full gravitational environments. Studies have provided evidence that suggests: the environmental simulator constructed for this thesis effort does induce locomotor adaptations following partial gravity running; the precision stepping task may be a helpful test for illuminating these adaptations; and musculoskeletal loading in the form of running with or without backpack loads may improve the locomotor adaptation process.

  18. Helium Reionization Simulations. I. Modeling Quasars as Radiation Sources

    CERN Document Server

    La Plante, Paul

    2015-01-01

    We introduce a new project to understand helium reionization using fully coupled $N$-body, hydrodynamics, and radiative transfer simulations. This project aims to capture correctly the thermal history of the intergalactic medium (IGM) as a result of reionization and make predictions about the Lyman-$\\alpha$ forest and baryon temperature-density relation. The dominant sources of radiation for this transition are quasars, so modeling the source population accurately is very important for making reliable predictions. In this first paper, we present a new method for populating dark matter halos with quasars. Our set of quasar models include two different light curves, a lightbulb (simple on/off) and symmetric exponential model, and luminosity-dependent quasar lifetimes. Our method self-consistently reproduces an input quasar luminosity function (QLF) given a halo catalog from an $N$-body simulation, and propagates quasars through the merger history of halo hosts. After calibrating quasar clustering using measurem...

  19. Device modeling of superconductor transition edge sensors based on the two-fluid theory

    CERN Document Server

    Wang, Tian-Shun; Zhu, Qing-Feng; Wang, Jun-Xian; Li, Tie-Fu; Liu, Jian-She; Chen, Wei; Zhou, Xingxiang

    2012-01-01

    In order to support the design and study of sophisticated large scale transition edge sensor (TES) circuits, we use basic SPICE elements to develop device models for TESs based on the superfluid-normal fluid theory. In contrast to previous studies, our device model is not limited to small signal simulation, and it relies only on device parameters that have clear physical meaning and can be easily measured. We integrate the device models in design kits based on powerful EDA tools such as CADENCE and OrCAD, and use them for versatile simulations of TES circuits. Comparing our simulation results with published experimental data, we find good agreement which suggests that device models based on the two-fluid theory can be used to predict the behavior of TES circuits reliably and hence they are valuable for assisting the design of sophisticated TES circuits.

  20. Modeling and simulation of complex systems a framework for efficient agent-based modeling and simulation

    CERN Document Server

    Siegfried, Robert

    2014-01-01

    Robert Siegfried presents a framework for efficient agent-based modeling and simulation of complex systems. He compares different approaches for describing structure and dynamics of agent-based models in detail. Based on this evaluation the author introduces the "General Reference Model for Agent-based Modeling and Simulation" (GRAMS). Furthermore he presents parallel and distributed simulation approaches for execution of agent-based models -from small scale to very large scale. The author shows how agent-based models may be executed by different simulation engines that utilize underlying hard

  1. Improved transition models for cepstral trajectories

    CSIR Research Space (South Africa)

    Badenhorst, J

    2012-11-01

    Full Text Available We improve on a piece-wise linear model of the trajectories of Mel Frequency Cepstral Coefficients, which are commonly used as features in Automatic Speech Recognition. For this purpose, we have created a very clean single-speaker corpus, which...

  2. Solid volume fraction estimation of bone:marrow replica models using ultrasound transit time spectroscopy.

    Science.gov (United States)

    Wille, Marie-Luise; Langton, Christian M

    2016-02-01

    The acceptance of broadband ultrasound attenuation (BUA) for the assessment of osteoporosis suffers from a limited understanding of both ultrasound wave propagation through cancellous bone and its exact dependence upon the material and structural properties. It has recently been proposed that ultrasound wave propagation in cancellous bone may be described by a concept of parallel sonic rays; the transit time of each ray defined by the proportion of bone and marrow propagated. A Transit Time Spectrum (TTS) describes the proportion of sonic rays having a particular transit time, effectively describing the lateral inhomogeneity of transit times over the surface aperture of the receive ultrasound transducer. The aim of this study was to test the hypothesis that the solid volume fraction (SVF) of simplified bone:marrow replica models may be reliably estimated from the corresponding ultrasound transit time spectrum. Transit time spectra were derived via digital deconvolution of the experimentally measured input and output ultrasonic signals, and compared to predicted TTS based on the parallel sonic ray concept, demonstrating agreement in both position and amplitude of spectral peaks. Solid volume fraction was calculated from the TTS; agreement between true (geometric calculation) with predicted (computer simulation) and experimentally-derived values were R(2)=99.9% and R(2)=97.3% respectively. It is therefore envisaged that ultrasound transit time spectroscopy (UTTS) offers the potential to reliably estimate bone mineral density and hence the established T-score parameter for clinical osteoporosis assessment.

  3. Advances in transitional flow modeling applications to helicopter rotors

    CERN Document Server

    Sheng, Chunhua

    2017-01-01

    This book provides a comprehensive description of numerical methods and validation processes for predicting transitional flows based on the Langtry–Menter local correlation-based transition model, integrated with both one-equation Spalart–Allmaras (S–A) and two-equation Shear Stress Transport (SST) turbulence models. A comparative study is presented to combine the respective merits of the two coupling methods in the context of predicting the boundary-layer transition phenomenon from fundamental benchmark flows to realistic helicopter rotors. The book will of interest to industrial practitioners working in aerodynamic design and the analysis of fixed-wing or rotary wing aircraft, while also offering advanced reading material for graduate students in the research areas of Computational Fluid Dynamics (CFD), turbulence modeling and related fields.

  4. A sand wave simulation model

    NARCIS (Netherlands)

    Nemeth, A.A.; Hulscher, S.J.M.H.; Damme, van R.M.J.

    2003-01-01

    Sand waves form a prominent regular pattern in the offshore seabeds of sandy shallow seas. A two dimensional vertical (2DV) flow and morphological numerical model describing the behaviour of these sand waves has been developed. The model contains the 2DV shallow water equations, with a free water su

  5. Phase transitions and ordering structures of a model of a chiral helimagnet in three dimensions

    Science.gov (United States)

    Nishikawa, Yoshihiko; Hukushima, Koji

    2016-08-01

    Phase transitions in a classical Heisenberg spin model of a chiral helimagnet with the Dzyaloshinskii-Moriya interaction in three dimensions are numerically studied. By using the event-chain Monte Carlo algorithm recently developed for particle and continuous spin systems, we perform equilibrium Monte Carlo simulations for large systems up to about 106 spins. Without magnetic fields, the system undergoes a continuous phase transition with critical exponents of the three-dimensional XY model, and a uniaxial periodic helical structure emerges in the low-temperature region. In the presence of a magnetic field perpendicular to the axis of the helical structure, it is found that there exists a critical point on the temperature and magnetic-field phase diagram and that above the critical point the system exhibits a phase transition with strong divergence of the specific heat and the uniform magnetic susceptibility.

  6. The shocking transit of WASP-12b: Modelling the observed early ingress in the near ultraviolet

    CERN Document Server

    Llama, J; Jardine, M; Vidotto, A A; Helling, Ch; Fossati, L; Haswell, C A

    2011-01-01

    Near ultraviolet observations of WASP-12b have revealed an early ingress compared to the optical transit lightcurve. This has been interpreted as due to the presence of a magnetospheric bow shock which forms when the relative velocity of the planetary and stellar material is supersonic. We aim to reproduce this observed early ingress by modelling the stellar wind (or coronal plasma) in order to derive the speed and density of the material at the planetary orbital radius. From this we determine the orientation of the shock and the density of compressed plasma behind it. With this model for the density structure surrounding the planet we perform Monte Carlo radiation transfer simulations of the near UV transits of WASP-12b with and without a bow shock. We find that we can reproduce the transit lightcurves with a wide range of plasma temperatures, shock geometries and optical depths. Our results support the hypothesis that a bow shock could explain the observed early ingress.

  7. Noise-induced absorbing phase transition in a model of opinion formation

    CERN Document Server

    Vieira, Allan R

    2016-01-01

    In this work we study a 3-state ($+1$, $-1$, $0$) opinion model in the presence of noise and disorder. We consider pairwise competitive interactions, with a fraction $p$ of those interactions being negative (disorder). Moreover, there is a noise $q$ that represents the probability of an individual spontaneously change his opinion to the neutral state. Our aim is to study how the increase/decrease of the fraction of neutral agents affects the critical behavior of the system and the evolution of opinions. We derive analytical expressions for the order parameter of the model, as well as for the stationary fraction of each opinion, and we show that there are distinct phase transitions. One is the usual ferro-paramagnetic transition, that is in the Ising universality class. In addition, there are para-absorbing and ferro-absorbing transitions, presenting the directed percolation universality class. Our results are complemented by numerical simulations.

  8. Noise-induced absorbing phase transition in a model of opinion formation

    Science.gov (United States)

    Vieira, Allan R.; Crokidakis, Nuno

    2016-08-01

    In this work we study a 3-state (+1, -1, 0) opinion model in the presence of noise and disorder. We consider pairwise competitive interactions, with a fraction p of those interactions being negative (disorder). Moreover, there is a noise q that represents the probability of an individual spontaneously change his opinion to the neutral state. Our aim is to study how the increase/decrease of the fraction of neutral agents affects the critical behavior of the system and the evolution of opinions. We derive analytical expressions for the order parameter of the model, as well as for the stationary fraction of each opinion, and we show that there are distinct phase transitions. One is the usual ferro-paramagnetic transition, that is in the Ising universality class. In addition, there are para-absorbing and ferro-absorbing transitions, presenting the directed percolation universality class. Our results are complemented by numerical simulations.

  9. Characteristics of the chiral phase transition in nonlocal quark models

    CERN Document Server

    Dumm, D G

    2004-01-01

    The characteristics of the chiral phase transition are analyzed within the framework of chiral quark models with nonlocal interactions in the mean field approximation (MFA). In the chiral limit, we show that there is a region of low values of the chemical potential in which the transition is a second order one. In that region, it is possible to perform a Landau expansion and determine the critical exponents which, as expected, turn out to be the MFA ones. Our analysis also allows to obtain semi-analytical expressions for the transition curve and the location of the tricritical point. For the case of finite current quark masses, we study the behavior of various thermodynamical and chiral response functions across the phase transition.

  10. Modelling Reactive and Proactive Behaviour in Simulation

    CERN Document Server

    Majid, Mazlina Abdul; Aickelin, Uwe

    2010-01-01

    This research investigated the simulation model behaviour of a traditional and combined discrete event as well as agent based simulation models when modelling human reactive and proactive behaviour in human centric complex systems. A departmental store was chosen as human centric complex case study where the operation system of a fitting room in WomensWear department was investigated. We have looked at ways to determine the efficiency of new management policies for the fitting room operation through simulating the reactive and proactive behaviour of staff towards customers. Once development of the simulation models and their verification had been done, we carried out a validation experiment in the form of a sensitivity analysis. Subsequently, we executed a statistical analysis where the mixed reactive and proactive behaviour experimental results were compared with some reactive experimental results from previously published works. Generally, this case study discovered that simple proactive individual behaviou...

  11. Challenges in SysML Model Simulation

    Directory of Open Access Journals (Sweden)

    Mara Nikolaidou

    2016-07-01

    Full Text Available Systems Modeling Language (SysML is a standard proposed by the OMG for systems-of-systems (SoS modeling and engineering. To this end, it provides the means to depict SoS components and their behavior in a hierarchical, multi-layer fashion, facilitating alternative engineering activities, such as system design. To explore the performance of SysML, simulation is one of the preferred methods. There are many efforts targeting simulation code generation from SysML models. Numerous simulation methodologies and tools are employed, while different SysML diagrams are utilized. Nevertheless, this process is not standardized, although most of current approaches tend to follow the same steps, even if they employ different tools. The scope of this paper is to provide a comprehensive understanding of the similarities and differences of existing approaches and identify current challenges in fully automating SysML models simulation process.

  12. SIMULATION MODELING SLOW SPATIALLY HETER- OGENEOUS COAGULATION

    Directory of Open Access Journals (Sweden)

    P. A. Zdorovtsev

    2013-01-01

    Full Text Available A new model of spatially inhomogeneous coagulation, i.e. formation of larger clusters by joint interaction of smaller ones, is under study. The results of simulation are compared with known analytical and numerical solutions.

  13. Shock Position Control for Mode Transition in a Turbine Based Combined Cycle Engine Inlet Model

    Science.gov (United States)

    Csank, Jeffrey T.; Stueber, Thomas J.

    2013-01-01

    A dual flow-path inlet for a turbine based combined cycle (TBCC) propulsion system is to be tested in order to evaluate methodologies for performing a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms which are designed to maintain shock position during inlet disturbances. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the development of a mode transition schedule for the HiTECC simulation that is analogous to the development of inlet performance maps. Inlet performance maps, derived through experimental means, describe the performance and operability of the inlet as the splitter closes, switching power production from the turbine engine to the Dual Mode Scram Jet. With knowledge of the operability and performance tradeoffs, a closed loop system can be designed to optimize the performance of the inlet. This paper demonstrates the design of the closed loop control system and benefit with the implementation of a Proportional-Integral controller, an H-Infinity based controller, and a disturbance observer based controller; all of which avoid inlet unstart during a mode transition with a simulated disturbance that would lead to inlet unstart without closed loop control.

  14. Implementation of the superfluid helium phase transition using finite element modeling: Simulation of ransient heat transfer and He-I/He-II phase front movement in cooling channels of superconducting magnets

    NARCIS (Netherlands)

    Bielert, E.R.; Verweij, A.P.; Kate, ten H.H.J.

    2013-01-01

    In the thermal design of high magnetic field superconducting accelerator magnets, the emphasis is on the use of superfluid helium as a coolant and stabilizing medium. The very high effective thermal conductivity of helium below the lambda transition temperature significantly helps to extract heat fr

  15. Theory, modeling, and simulation annual report, 1992

    Energy Technology Data Exchange (ETDEWEB)

    1993-05-01

    This report briefly discusses research on the following topics: development of electronic structure methods; modeling molecular processes in clusters; modeling molecular processes in solution; modeling molecular processes in separations chemistry; modeling interfacial molecular processes; modeling molecular processes in the atmosphere; methods for periodic calculations on solids; chemistry and physics of minerals; graphical user interfaces for computational chemistry codes; visualization and analysis of molecular simulations; integrated computational chemistry environment; and benchmark computations.

  16. Slow dynamics and glass transition in simulated free-standing polymer films: a possible relation between global and local glass transition temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Peter, S [Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg Cedex (France); Meyer, H [Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg Cedex (France); Baschnagel, J [Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg Cedex (France); Seemann, R [Max Planck Institute for Dynamics and Self-Organization, D-37018 Goettingen (Germany)

    2007-05-23

    We employ molecular dynamics simulations to explore the influence that the surface of a free-standing polymer film exerts on its structural relaxation when the film is cooled toward the glass transition. Our simulations are concerned with the features of a coarse-grained bead-spring model in a temperature regime above the critical temperature T{sub c} of mode-coupling theory. We find that the film dynamics is spatially heterogeneous. Monomers at the free surface relax much faster than they would in the bulk at the same temperature T. The fast relaxation of the surface layer continuously turns into bulk-like relaxation with increasing distance y from the surface. This crossover remains smooth for all T, but its range grows on cooling. We show that it is possible to associate a gradient in critical temperatures T{sub c}(y) with the gradient in the relaxation dynamics. This finding is in qualitative agreement with experimental results on supported polystyrene (PS) films (Ellison and Torkelson 2003 Nat. Mater. 2 695). Furthermore we show that the y dependence of T{sub c}(y) can be expressed in terms of the depression of T{sub c}(h)-the global T{sub c} for a film of thickness h-if we assume that T{sub c}(h) is the arithmetic mean of T{sub c}(y) and parameterize the depression of T{sub c}(h) by T{sub c}(h) = T{sub c}/(1+h{sub 0}/h), a formula suggested by Herminghaus et al (2001 Eur. Phys. J. E 5 531) for the reduction of the glass transition temperature in supported PS films. We demonstrate the validity of this formula by comparing our simulation results to results from other simulations and experiments.

  17. Application of Chebyshev Polynomial to simulated modeling

    Institute of Scientific and Technical Information of China (English)

    CHI Hai-hong; LI Dian-pu

    2006-01-01

    Chebyshev polynomial is widely used in many fields, and used usually as function approximation in numerical calculation. In this paper, Chebyshev polynomial expression of the propeller properties across four quadrants is given at first, then the expression of Chebyshev polynomial is transformed to ordinary polynomial for the need of simulation of propeller dynamics. On the basis of it,the dynamical models of propeller across four quadrants are given. The simulation results show the efficiency of mathematical model.

  18. Collisionless Electrostatic Shock Modeling and Simulation

    Science.gov (United States)

    2016-10-21

    Briefing Charts 3. DATES COVERED (From - To) 30 September 2016 – 21 October 2016 4. TITLE AND SUBTITLE Collisionless Electrostatic Shock Modeling and...release: distribution unlimited. PA#16490 Air Force Research Laboratory Collisionless Electrostatic Shock Modeling and Simulation Daniel W. Crews In-Space...unlimited. PA#16490 Overview • Motivation and Background • What is a Collisionless Shock Wave? • Features of the Collisionless Shock • The Shock Simulation

  19. The Burn-UD code for the numerical simulations of the Hadronic-to-Quark-Matter phase transition

    CERN Document Server

    Ouyed, Amir; Koning, Nico; Ouyed, Rachid

    2015-01-01

    Burn-UD is a hydrodynamic combustion code used to model the phase transition of hadronic to quark matter with particular application to the interior of neutron stars. Burn-UD models the flame micro-physics for different equations of state (EoS) on both sides of the interface, i.e. for both the ash (up-down-strange quark phase) and the fuel (up-down quark phase). It also allows the user to explore strange quark seeding produced by different processes including DM annihilation inside neutron stars. The simulations provide a physical window to diagnose whether the combustion process will simmer quietly and slowly, lead to a transition from deflagration to detonation or a (quark) core-collapse explosion. Such an energetic phase transition (a Quark-Nova) would have consequences in high-energy astrophysics and could aid in our understanding of many still enigmatic astrophysical transients. Furthermore, having a precise understanding of the phase transition dynamics for different EoSs could aid further in constraini...

  20. Limb darkening and exoplanets: testing stellar model atmospheres and indentifying biases in transit parameters

    CERN Document Server

    Espinoza, Néstor

    2015-01-01

    Limb-darkening is fundamental in determining transit lightcurve shapes, and is typically modeled by a variety of laws that parametrize the intensity profile of the star that is being transited. Confronted with a transit lightcurve, some authors fix the parameters of these laws, the so-called limb-darkening coefficients (LDCs), while others prefer to let them float in the lightcurve fitting procedure. Which of these is the best strategy, however, is still unclear, as well as how and by how much each of these can bias the retrieved transit parameters. In this work we attempt to clarify those points by first re-calculating these LDCs, comparing them to measured values from Kepler transit lightcurves using an algorithm that takes into account uncertainties in both the geometry of the transit and the parameters of the stellar host. We show there are significant departures from predicted model values, suggesting that our understanding of limb-darkening still needs to improve. Then, we show through simulations that ...

  1. Glass transition temperature of PIB, PDMS and PMMA from small-time simulations

    Science.gov (United States)

    Duki, Solomon; Tsige, Mesfin; Taylor, Philip

    2009-03-01

    We have applied some new techniques to obtain predictions of the glass transition temperatures Tg of poly(isobutylene), poly(dimethyl-siloxane), and poly(methyl methacrylate) from small-time atomistic molecular dynamics simulations. The different fragilities of these materials are reflected in the results of the simulations. One approach involved measurement of the apparent softening of the ``cage'' in which a monomer is bound, while another involved studying autocorrelation of a convolution of the velocity with a smoothing function in order to detect the frequency of escapes from the ``cage.'' To check the accuracy of the short-time methods, the Tg of the polymers was also found using conventional diffusion simulations in which the rate of increase of the root mean squared displacement of an atom, monomer, or molecule is measured at very long times. The economical short-time simulations yielded results for Tg that were identical to those of the computer-intensive long-time simulations.

  2. Characterizing Phase Transitions in a Model of Neutral Evolutionary Dynamics

    Science.gov (United States)

    Scott, Adam; King, Dawn; Bahar, Sonya

    2013-03-01

    An evolutionary model was recently introduced for sympatric, phenotypic evolution over a variable fitness landscape with assortative mating (Dees & Bahar 2010). Organisms in the model are described by coordinates in a two-dimensional phenotype space, born at random coordinates with limited variation from their parents as determined by a mutation parameter, mutability. The model has been extended to include both neutral evolution and asexual reproduction in Scott et al (submitted). It has been demonstrated that a second order, non-equilibrium phase transition occurs for the temporal dynamics as the mutability is varied, for both the original model and for neutral conditions. This transition likely belongs to the directed percolation universality class. In contrast, the spatial dynamics of the model shows characteristics of an ordinary percolation phase transition. Here, we characterize the phase transitions exhibited by this model by determining critical exponents for the relaxation times, characteristic lengths, and cluster (species) mass distributions. Missouri Research Board; J.S. McDonnell Foundation

  3. Laminar-turbulent transition on the flying wing model

    Science.gov (United States)

    Pavlenko, A. M.; Zanin, B. Yu.; Katasonov, M. M.

    2016-10-01

    Results of an experimental study of a subsonic flow past aircraft model having "flying wing" form and belonging to the category of small-unmanned aerial vehicles are reported. Quantitative data about the structure of the flow near the model surface were obtained by hot-wire measurements. It was shown, that with the wing sweep angle 34 °the laminar-turbulent transition scenario is identical to the one on a straight wing. The transition occurs through the development of a package of unstable oscillations in the boundary layer separation.

  4. Charge fluctuations in chiral models and the QCD phase transition

    CERN Document Server

    Skokov, V; Karsch, F; Redlich, K

    2011-01-01

    We consider the Polyakov loop-extended two flavor chiral quark--meson model and discuss critical phenomena related with the spontaneous breaking of the chiral symmetry. The model is explored beyond the mean-field approximation in the framework of the functional renormalisation group. We discuss properties of the net-quark number density fluctuations as well as their higher cumulants. We show that with the increasing net-quark number density, the higher order cumulants exhibit a strong sensitivity to the chiral crossover transition. We discuss their role as probes of the chiral phase transition in heavy-ion collisions at RHIC and LHC.

  5. A flexible coefficient smooth transition time series model.

    Science.gov (United States)

    Medeiros, Marcelo C; Veiga, Alvaro

    2005-01-01

    In this paper, we consider a flexible smooth transition autoregressive (STAR) model with multiple regimes and multiple transition variables. This formulation can be interpreted as a time varying linear model where the coefficients are the outputs of a single hidden layer feedforward neural network. This proposal has the major advantage of nesting several nonlinear models, such as, the self-exciting threshold autoregressive (SETAR), the autoregressive neural network (AR-NN), and the logistic STAR models. Furthermore, if the neural network is interpreted as a nonparametric universal approximation to any Borel measurable function, our formulation is directly comparable to the functional coefficient autoregressive (FAR) and the single-index coefficient regression models. A model building procedure is developed based on statistical inference arguments. A Monte Carlo experiment showed that the procedure works in small samples, and its performance improves, as it should, in medium size samples. Several real examples are also addressed.

  6. Comparing allosteric transitions in the domains of calmodulin through coarse-grained simulations.

    Science.gov (United States)

    Nandigrami, Prithviraj; Portman, John J

    2016-03-14

    Calmodulin (CaM) is a ubiquitous Ca(2+)-binding protein consisting of two structurally similar domains with distinct stabilities, binding affinities, and flexibilities. We present coarse grained simulations that suggest that the mechanism for the domain's allosteric transitions between the open and closed conformations depends on subtle differences in the folded state topology of the two domains. Throughout a wide temperature range, the simulated transition mechanism of the N-terminal domain (nCaM) follows a two-state transition mechanism while domain opening in the C-terminal domain (cCaM) involves unfolding and refolding of the tertiary structure. The appearance of the unfolded intermediate occurs at a higher temperature in nCaM than it does in cCaM consistent with nCaM's higher thermal stability. Under approximate physiological conditions, the simulated unfolded state population of cCaM accounts for 10% of the population with nearly all of the sampled transitions (approximately 95%) unfolding and refolding during the conformational change. Transient unfolding significantly slows the domain opening and closing rates of cCaM, which can potentially influence its Ca(2+)-binding mechanism.

  7. Modeling of magnetic particle suspensions for simulations

    CERN Document Server

    Satoh, Akira

    2017-01-01

    The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, lattice Boltzmann and stochastic rotation dynamics (multi-particle collision dynamics) methods. The latter two simulation methods can simulate both the particle motion and the ambient flow field simultaneously. In general, specialized knowledge can only be obtained in an effective manner under the supervision of an expert. The present book is written to play such a role for readers who wish to develop the skill of modeling magnetic particles and develop a computer simulation program using their own ability. This book is therefore a self-learning book for graduate students and young researchers. Armed with this knowledge,...

  8. Pulse-echo ultrasound transit time spectroscopy: A comparison of experimental measurement and simulation prediction.

    Science.gov (United States)

    Wille, Marie-Luise; Almualimi, Majdi A; Langton, Christian M

    2016-01-01

    Considering ultrasound propagation through complex composite media as an array of parallel sonic rays, a comparison of computer-simulated prediction with experimental data has previously been reported for transmission mode (where one transducer serves as transmitter, the other as receiver) in a series of 10 acrylic step-wedge samples, immersed in water, exhibiting varying degrees of transit time inhomogeneity. In this study, the same samples were used but in pulse-echo mode, where the same ultrasound transducer served as both transmitter and receiver, detecting both 'primary' (internal sample interface) and 'secondary' (external sample interface) echoes. A transit time spectrum was derived, describing the proportion of sonic rays with a particular transit time. A computer simulation was performed to predict the transit time and amplitude of various echoes created, and compared with experimental data. Applying an amplitude-tolerance analysis, 91.7% ± 3.7% of the simulated data were within ±1 standard deviation of the experimentally measured amplitude-time data. Correlation of predicted and experimental transit time spectra provided coefficients of determination (R(2)%) ranging from 100.0% to 96.8% for the various samples tested. The results acquired from this study provide good evidence for the concept of parallel sonic rays. Furthermore, deconvolution of experimental input and output signals has been shown to provide an effective method to identify echoes otherwise lost due to phase cancellation. Potential applications of pulse-echo ultrasound transit time spectroscopy include improvement of ultrasound image fidelity by improving spatial resolution and reducing phase interference artefacts.

  9. Modelling and Simulation of Wave Loads

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Thoft-Christensen, Palle

    A simple model of the wave load on slender members of offshore structures is described. The wave elevation of the sea state is modelled by a stationary Gaussian process. A new procedure to simulate realizations of the wave loads is developed. The simulation method assumes that the wave particle...... velocity can be approximated by a Gaussian Markov process. Known approximate results for the first-passage density or equivalently, the distribution of the extremes of wave loads are presented and compared with rather precise simulation results. It is demonstrated that the approximate results...

  10. Modelling and Simulation of Wave Loads

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Thoft-Christensen, Palle

    1985-01-01

    A simple model of the wave load on stender members of offshore structures is described . The wave elevation of the sea stateis modelled by a stationary Gaussian process. A new procedure to simulate realizations of the wave loads is developed. The simulation method assumes that the wave particle...... velocity can be approximated by a Gaussian Markov process. Known approximate results for the first passage density or equivalently, the distribution of the extremes of wave loads are presented and compared with rather precise simulation results. It is demonstrated that the approximate results...

  11. Modeling and simulation of multiport RF switch

    Energy Technology Data Exchange (ETDEWEB)

    Vijay, J [Student, Department of Instrumentation and Control Engineering, National Institute of Technology, Tiruchirappalli-620015 (India); Saha, Ivan [Scientist, Indian Space Research Organisation (ISRO) (India); Uma, G [Lecturer, Department of Instrumentation and Control Engineering, National Institute of Technology, Tiruchirappalli-620015 (India); Umapathy, M [Assistant Professor, Department of Instrumentation and Control Engineering, National Institute of Technology, Tiruchirappalli-620015 (India)

    2006-04-01

    This paper describes the modeling and simulation of 'Multi Port RF Switch' where the latching mechanism is realized with two hot arm electro thermal actuators and the switching action is realized with electrostatic actuators. It can act as single pole single thrown as well as single pole multi thrown switch. The proposed structure is modeled analytically and required parameters are simulated using MATLAB. The analytical simulation results are validated using Finite Element Analysis of the same in the COVENTORWARE software.

  12. Modeling and simulation of discrete event systems

    CERN Document Server

    Choi, Byoung Kyu

    2013-01-01

    Computer modeling and simulation (M&S) allows engineers to study and analyze complex systems. Discrete-event system (DES)-M&S is used in modern management, industrial engineering, computer science, and the military. As computer speeds and memory capacity increase, so DES-M&S tools become more powerful and more widely used in solving real-life problems. Based on over 20 years of evolution within a classroom environment, as well as on decades-long experience in developing simulation-based solutions for high-tech industries, Modeling and Simulation of Discrete-Event Systems is the only book on

  13. Traffic Modeling in WCDMA System Level Simulations

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Traffic modeling is a crucial element in WCDMA system level simulations. A clear understanding of the nature of traffic in the WCDMA system and subsequent selection of an appropriate random traffic model are critical to the success of the modeling enterprise. The resultant performances will evidently be of a function that our design has been well adapted to the traffic, channel and user mobility models, and these models are also accurate. In this article, our attention will be focused on modeling voice and WWW data traffic with the SBBP model and Victor model respectively.

  14. Phase transition of p-adic Ising λ-model

    Energy Technology Data Exchange (ETDEWEB)

    Dogan, Mutlay; Akın, Hasan [Department of Mathematics, Faculty of Education, Zirve University, Gaziantep, TR27260 (Turkey); Mukhamedov, Farrukh [Department of Computational & Theoretical Sciences Faculty of Science, International Islamic University Malaysia P.O. Box, 141, 25710, Kuantan Pahang (Malaysia)

    2015-09-18

    We consider an interaction of the nearest-neighbors and next nearest-neighbors for the mixed type p-adic λ-model with spin values (−1, +1) on a Cayley tree of order two. In the previous work we have proved the existence of the p-adic Gibbs measure for the model. In this work we have proved the existence of the phase transition occurs for the model.

  15. The Modeling and Forecasting of the Technological and Innovation Development of a Transition-Economy Country

    OpenAIRE

    Kononenko, Igor; Repin, Anton

    2006-01-01

    The rule of GDP change influence on the investment inflows into the country’s economy for transition-economy countries has been found. The method for forecasting the innovational and scientific-technological development of a country, based on consequent use of simulation model of innovational and scientific-technological development of a country and of the method of forecasting the investment inflows into economy has been developed. The method was tested on the Ukrainian statistical data for ...

  16. Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy

    Institute of Scientific and Technical Information of China (English)

    LIU Jia; WANG Shu-Ying; ZHENG Cai-Ping; XIN Li-Juan; WANG Dan; SUN Min-Hua

    2007-01-01

    We report a computer simulation study of the glass transition of water with SP2 potential. The temperature dependences of the diffusion coefficient and the excess entropy on cooling process are calculated. It is found that both the diffusion coefficient and the excess entropy show a break point at 160K. Our results support the viewpoint that the glass transition temperature is 160K. According to the calculated viscosity, we obtain a fragility index of water to be 326, which is much larger than the value accepted before.

  17. Molecular dynamics simulation for baryon-quark phase transition at finite temperature and density

    CERN Document Server

    Akimura, Y; Yoshinaga, N; Chiba, S; Akimura, Yuka; Maruyama, Toshiki; Yoshinaga, Naotaka; Chiba, Satoshi

    2005-01-01

    We study the baryon-quark phase transition in a molecular dynamics (MD) of quark degrees of freedom at finite temperature and density. The baryon state at low density and temperature, and the deconfined quark state at high density and temperature are reproduced. We investigate the equations of state of matters with different $u$-$d$-$s$ compositions. Then we draw phase diagrams in the temperature-density plane by this simulation. It is found that the baryon-quark transition is sensitive to the quark width.

  18. 3-D lattice simulation of the electroweak phase transition at small Higgs mass

    CERN Document Server

    Ilgenfritz, E M; Perlt, H; Schiller, A

    1995-01-01

    We study the electroweak phase transition by lattice simulations of an effective 3-dimensional theory, for a Higgs mass of about 35 GeV. In the broken symmetry phase our results on masses and the Higgs condensate are consistent with 2-loop perturbative results. However we find a non-perturbative lowering of the transition temperature, similar to the one previously found at m_H = 80 GeV. For the symmetric phase, bound state masses and the static force are determined and compared with results for pure SU(2) theory.

  19. Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.

    Science.gov (United States)

    Yu, Tang-Qing; Lapelosa, Mauro; Vanden-Eijnden, Eric; Abrams, Cameron F

    2015-03-04

    We use Markovian milestoning molecular dynamics (MD) simulations on a tessellation of the collective variable space for CO localization in myoglobin to estimate the kinetics of entry, exit, and internal site-hopping. The tessellation is determined by analysis of the free-energy surface in that space using transition-path theory (TPT), which provides criteria for defining optimal milestones, allowing short, independent, cell-constrained MD simulations to provide properly weighted kinetic data. We coarse grain the resulting kinetic model at two levels: first, using crystallographically relevant internal cavities and their predicted interconnections and solvent portals; and second, as a three-state side-path scheme inspired by similar models developed from geminate recombination experiments. We show semiquantitative agreement with experiment on entry and exit rates and in the identification of the so-called "histidine gate" at position 64 through which ≈90% of flux between solvent and the distal pocket passes. We also show with six-dimensional calculations that the minimum free-energy pathway of escape through the histidine gate is a "knock-on" mechanism in which motion of the ligand and the gate are sequential and interdependent. In total, these results suggest that such TPT simulations are indeed a promising approach to overcome the practical time-scale limitations of MD to allow reliable estimation of transition mechanisms and rates among metastable states.

  20. Modeling and simulation of luminescence detection platforms.

    Science.gov (United States)

    Salama, Khaled; Eltoukhy, Helmy; Hassibi, Arjang; El-Gamal, Abbas

    2004-06-15

    Motivated by the design of an integrated CMOS-based detection platform, a simulation model for CCD and CMOS imager-based luminescence detection systems is developed. The model comprises four parts. The first portion models the process of photon flux generation from luminescence probes using ATP-based and luciferase label-based assay kinetics. An optics simulator is then used to compute the incident photon flux on the imaging plane for a given photon flux and system geometry. Subsequently, the output image is computed using a detailed imaging sensor model that accounts for photodetector spectral response, dark current, conversion gain, and various noise sources. Finally, signal processing algorithms are applied to the image to enhance detection reliability and hence increase the overall system throughput. To validate the model, simulation results are compared to experimental results obtained from a CCD-based system that was built to emulate the integrated CMOS-based platform.

  1. SOFT MODELLING AND SIMULATION IN STRATEGY

    Directory of Open Access Journals (Sweden)

    Luciano Rossoni

    2006-06-01

    Full Text Available A certain resistance on the part of the responsible controllers for the strategy exists, in using techniques and tools of modeling and simulation. Many find them excessively complicated, already others see them as rigid and mathematical for excessively for the use of strategies in uncertain and turbulent environments. However, some interpretative boarding that take care of, in part exist, the necessities of these borrowers of decision. The objective of this work is to demonstrate of a clear and simple form, some of the most powerful boarding, methodologies and interpretative tools (soft of modeling and simulation in the business-oriented area of strategy. We will define initially, what they are on models, simulation and some aspects to the modeling and simulation in the strategy area. Later we will see some boarding of modeling soft, that they see the modeling process much more of that simply a mechanical process, therefore, as seen for Simon, the human beings rationally are limited and its decisions are influenced by a series of questions of subjective character, related to the way where it is inserted. Keywords: strategy, modeling and simulation, soft systems methodology, cognitive map, systems dynamics.

  2. Transition Strength Sums and Quantum Chaos in Shell Model States

    CERN Document Server

    Kota, V K B; Kar, K; Gómez, J M G; Retamosa, J

    2000-01-01

    For the embedded Gaussian orthogonal ensemble (EGOE) of random matrices, the strength sums generated by a transition operator acting on an eigenstate vary with the excitation energy as the ratio of two Gaussians. This general result is compared to exact shell model calculations, with realistic interactions, of spherical orbit occupancies and Gamow-Teller strength sums in some $(ds)$ and $(fp)$ shell examples. In order to confirm that EGOE operates in the chaotic domain of the shell model spectrum, calculations are carried out using two different interpolating hamiltonians generating order-chaos transitions. Good agreement is obtained in the chaotic domain of the spectrum, and strong deviations are observed as nuclear motion approaches a regular regime (transition strength sums appear to follow the Dyson's $\\Delta_3$ statistic). More importantly, they shed new light on the newly emerging understanding that in the chaotic domain of isolated finite interacting many particle systems smoothed densities (they inclu...

  3. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...... of this variation is due to changes in the enzyme structure at distances more than 5 Å from the active site. There are significant differences between the results obtained by pure quantum methods and those from mixed quantum and molecular mechanics methods....

  4. Modeling and Simulation of Hydraulic Engine Mounts

    Institute of Scientific and Technical Information of China (English)

    DUAN Shanzhong; Marshall McNea

    2012-01-01

    Hydraulic engine mounts are widely used in automotive powertrains for vibration isolation.A lumped mechanical parameter model is a traditional approach to model and simulate such mounts.This paper presents a dynamical model of a passive hydraulic engine mount with a double-chamber,an inertia track,a decoupler,and a plunger.The model is developed based on analogy between electrical systems and mechanical-hydraulic systems.The model is established to capture both low and high frequency dynatmic behaviors of the hydraulic mount.The model will be further used to find the approximate pulse responses of the mounts in terms of the force transmission and top chamber pressure.The close form solution from the simplifiod linear model may provide some insight into the highly nonlinear behavior of the mounts.Based on the model,computer simulation has been carried out to study dynamic performance of the hydraulic mount.

  5. Modelling and simulating fire tube boiler performance

    DEFF Research Database (Denmark)

    Sørensen, K.; Condra, T.; Houbak, Niels;

    2003-01-01

    A model for a flue gas boiler covering the flue gas and the water-/steam side has been formulated. The model has been formulated as a number of sub models that are merged into an overall model for the complete boiler. Sub models have been defined for the furnace, the convection zone (split in 2......: a zone submerged in water and a zone covered by steam), a model for the material in the boiler (the steel) and 2 models for resp. the water/steam zone (the boiling) and the steam. The dynamic model has been developed as a number of Differential-Algebraic-Equation system (DAE). Subsequently Mat......Lab/Simulink has been applied for carrying out the simulations. To be able to verify the simulated results experiments has been carried out on a full scale boiler plant....

  6. Modelling and simulating fire tube boiler performance

    DEFF Research Database (Denmark)

    Sørensen, Kim; Karstensen, Claus; Condra, Thomas Joseph;

    2003-01-01

    A model for a ue gas boiler covering the ue gas and the water-/steam side has been formulated. The model has been formulated as a number of sub models that are merged into an overall model for the complete boiler. Sub models have been dened for the furnace, the convection zone (split in 2: a zone...... submerged in water and a zone covered by steam), a model for the material in the boiler (the steel) and 2 models for resp. the water/steam zone (the boiling) and the steam. The dynamic model has been developed as a number of Differential-Algebraic- Equation system (DAE). Subsequently MatLab/Simulink has...... been applied for carrying out the simulations. To be able to verify the simulated results an experiments has been carried out on a full scale boiler plant....

  7. Engineering models of deflagration-to-detonation transition

    Energy Technology Data Exchange (ETDEWEB)

    Bdzil, J.B.; Son, S.F.

    1995-07-01

    For the past two years, Los Alamos has supported research into the deflagration-to-detonation transition (DDT) in damaged energetic materials as part of the explosives safety program. This program supported both a theory/modeling group and an experimentation group. The goal of the theory/modeling group was to examine the various modeling structures (one-phase models, two-phase models, etc.) and select from these a structure suitable to model accidental initiation of detonation in damaged explosives. The experimental data on low-velocity piston supported DDT in granular explosive was to serve as a test bed to help in the selection process. Three theoretical models have been examined in the course of this study: (1) the Baer-Nunziato (BN) model, (2) the Stewart-Prasad-Asay (SPA) model and (3) the Bdzil-Kapila-Stewart model. Here we describe these models, discuss their properties, and compare their features.

  8. Computer simulations of the random barrier model

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    2002-01-01

    A brief review of experimental facts regarding ac electronic and ionic conduction in disordered solids is given followed by a discussion of what is perhaps the simplest realistic model, the random barrier model (symmetric hopping model). Results from large scale computer simulations are presented......, focusing on universality of the ac response in the extreme disorder limit. Finally, some important unsolved problems relating to hopping models for ac conduction are listed....

  9. Optimized GPU simulation of continuous-spin glass models

    CERN Document Server

    Yavors'kii, Taras

    2012-01-01

    We develop a highly optimized code for simulating the Edwards-Anderson Heisenberg model on graphics processing units (GPUs). Using a number of computational tricks such as tiling, data compression and appropriate memory layouts, the simulation code combining over-relaxation, heat bath and parallel tempering moves achieves a peak performance of 0.29 ns per spin update on realistic system sizes, corresponding to a more than 150 fold speed-up over a serial CPU reference implementation. The optimized implementation is used to study the spin-glass transition in a random external magnetic field to probe the existence of a de Almeida-Thouless line in the model, for which we give benchmark results.

  10. Optimized GPU simulation of continuous-spin glass models

    Science.gov (United States)

    Yavors'kii, T.; Weigel, M.

    2012-08-01

    We develop a highly optimized code for simulating the Edwards-Anderson Heisenberg model on graphics processing units (GPUs). Using a number of computational tricks such as tiling, data compression and appropriate memory layouts, the simulation code combining over-relaxation, heat bath and parallel tempering moves achieves a peak performance of 0.29 ns per spin update on realistic system sizes, corresponding to a more than 150 fold speed-up over a serial CPU reference implementation. The optimized implementation is used to study the spin-glass transition in a random external magnetic field to probe the existence of a de Almeida-Thouless line in the model, for which we give benchmark results.

  11. Modeling and simulating of unloading welding transformer

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The simulation model of an unloading welding transformer was established on the basis of MATLAB software, and the modeling principle was described in detail in the paper. The model was made up of three sub-models, i.e. the linear inductor sub-model, the non-linear inductor sub-model and series connection sub-model controlled by current, and these sub-models were jointed together by means of segmented linearization. The simulating results showed that, in the conditions of the high convert frequency and the large cross section of the magnet core of a welding transformer, the non-linear inductor sub-model can be substituted by a linear inductor sub-model in the model; and the leakage reactance in the welding transformer is one of the main reasons of producing over-current and over-voltage in the inverter. The simulation results demonstrate that the over-voltage produced by leakage reactance is nearly two times of the input voltage supplied to the transformer, and the lasting time of over-voltage depends on time constant τ1. With reducing of τ1, the amplitude of the over-current will increase, and the lasting time becomes shorter. Contrarily, with increasing of τ1, the amplitude of the over-current will decrease, and the lasting time becomes longer. The model has played the important role for the development of the inverter resistance welding machine.

  12. Modal choice model for fare-free transit

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A.; Goss, W.P.

    1977-03-01

    Using travel data collected at the University of Massachusetts during a research and demonstration project sponsored by the Urban Mass Transportation Administration, a disaggregate behavioral-mode choice model has been developed for predicting ridership on fare-free transit systems. The calibrated model suggests that access time to the fare-free transit stop, annual automobile parking fee, auto mode bias constant reflecting the comfort and convenience associated with auto travel, and number of autos available for commuting are the most significant attributes in explaining the mode choice between auto and fare-free transit. For this specific demonstration project, some level-of-service variables, such as the difference between in-vehicle travel time using auto and fare-free transit, auto operating cost, wait time at the fare-free transit stop, and some of the socio-economic attributes of the commuter, such as sex and status, were not found to be as important in affecting the mode choice. 14 references.

  13. Analysis of Phase Transition in Traffic Flow based on a New Model of Driving Decision

    Science.gov (United States)

    Peng, Yu; Shang, Hua-Yan; Lu, Hua-Pu

    2011-07-01

    Different driving decisions will cause different processes of phase transition in traffic flow. To reveal the inner mechanism, this paper built a new cellular automaton (CA) model, based on the driving decision (DD). In the DD model, a driver's decision is divided into three stages: decision-making, action, and result. The acceleration is taken as a decision variable and three core factors, i.e. distance between adjacent vehicles, their own velocity, and the preceding vehicle's velocity, are considered. Simulation results show that the DD model can simulate the synchronized flow effectively and describe the phase transition in traffic flow well. Further analyses illustrate that various density will cause the phase transition and the random probability will impact the process. Compared with the traditional NaSch model, the DD model considered the preceding vehicle's velocity, the deceleration limitation, and a safe distance, so it can depict closer to the driver preferences on pursuing safety, stability and fuel-saving and has strong theoretical innovation for future studies.

  14. Analysis of Phase Transition in Traffic Flow based on a New Model of Driving Decision

    Institute of Scientific and Technical Information of China (English)

    PENG Yu; SHANG Hua-Yan; LU Hua-Pu

    2011-01-01

    Different driving decisions will cause different processes of phase transition in traffic flow. To reveal the inner mechanism, this paper built a new cellular automaton (CA) model, based on the driving decision (DD). In the DD model, a driver's decision is divided into three stages: decision-making, action, and result. The acceleration is taken as a decision variable and three core factors, i.e. distance between adjacent vehicles, their own velocity, and the preceding vehicle's velocity, are considered. Simulation results show that the DD model can simulate the synchronized flow effectively and describe the phase transition in traffic flow well. Further analyses illustrate that various density will cause the phase transition and the random probability will impact the process. Compared with the traditional NaSch model, the DD model considered the preceding vehicle's velocity, the deceleration limitation, and a safe distance, so it can depict closer to the driver preferences on pursuing safety, stability and fuel-saving and has strong theoretical innovation for future studies.

  15. Simulation of groundwater flow pathlines and freshwater/saltwater transition zone movement, Manhasset Neck, Nassau County, New York

    Science.gov (United States)

    Misut, Paul; Aphale, Omkar

    2014-01-01

    A density-dependent groundwater flow and solute transport model of Manhasset Neck, Long Island, New York, was used to analyze (1) the effects of seasonal stress on the position of the freshwater/saltwater transition zone and (2) groundwater flowpaths. The following were used in the simulation: 182 transient stress periods, representing the historical record from 1920 to 2011, and 44 transient stress periods, representing future hypothetical conditions from 2011 to 2030. Simulated water-level and salinity (chloride concentration) values are compared with values from a previously developed two-stress-period (1905–1944 and 1945–2005) model. The 182-stress-period model produced salinity (chloride concentration) values that more accurately matched the observed salinity (chloride concentration) values in response to hydrologic stress than did the two-stress-period model, and salinity ranged from zero to about 3 parts per thousand (equivalent to zero to 1,660 milligrams per liter chloride). The 182-stress-period model produced improved calibration statistics of water-level measurements made throughout the study area than did the two-stress-period model, reducing the Lloyd aquifer root mean square error from 7.0 to 5.2 feet. Decreasing horizontal and vertical hydraulic conductivities (fixed anisotropy ratio) of the Lloyd and North Shore aquifers by 20 percent resulted in nearly doubling the simulated salinity(chloride concentration) increase at Port Washington observation well N12508. Groundwater flowpath analysis was completed for 24 production wells to delineate water source areas. The freshwater/saltwater transition zone moved toward and(or) away from wells during future hypothetical scenarios.

  16. Revolutions in energy through modeling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Tatro, M.; Woodard, J.

    1998-08-01

    The development and application of energy technologies for all aspects from generation to storage have improved dramatically with the advent of advanced computational tools, particularly modeling and simulation. Modeling and simulation are not new to energy technology development, and have been used extensively ever since the first commercial computers were available. However, recent advances in computing power and access have broadened the extent and use, and, through increased fidelity (i.e., accuracy) of the models due to greatly enhanced computing power, the increased reliance on modeling and simulation has shifted the balance point between modeling and experimentation. The complex nature of energy technologies has motivated researchers to use these tools to understand better performance, reliability and cost issues related to energy. The tools originated in sciences such as the strength of materials (nuclear reactor containment vessels); physics, heat transfer and fluid flow (oil production); chemistry, physics, and electronics (photovoltaics); and geosciences and fluid flow (oil exploration and reservoir storage). Other tools include mathematics, such as statistics, for assessing project risks. This paper describes a few advancements made possible by these tools and explores the benefits and costs of their use, particularly as they relate to the acceleration of energy technology development. The computational complexity ranges from basic spreadsheets to complex numerical simulations using hardware ranging from personal computers (PCs) to Cray computers. In all cases, the benefits of using modeling and simulation relate to lower risks, accelerated technology development, or lower cost projects.

  17. A general stochastic model for studying time evolution of transition networks

    Science.gov (United States)

    Zhan, Choujun; Tse, Chi K.; Small, Michael

    2016-12-01

    We consider a class of complex networks whose nodes assume one of several possible states at any time and may change their states from time to time. Such networks represent practical networks of rumor spreading, disease spreading, language evolution, and so on. Here, we derive a model describing the dynamics of this kind of network and a simulation algorithm for studying the network evolutionary behavior. This model, derived at a microscopic level, can reveal the transition dynamics of every node. A numerical simulation is taken as an "experiment" or "realization" of the model. We use this model to study the disease propagation dynamics in four different prototypical networks, namely, the regular nearest-neighbor (RN) network, the classical Erdös-Renyí (ER) random graph, the Watts-Strogátz small-world (SW) network, and the Barabási-Albert (BA) scalefree network. We find that the disease propagation dynamics in these four networks generally have different properties but they do share some common features. Furthermore, we utilize the transition network model to predict user growth in the Facebook network. Simulation shows that our model agrees with the historical data. The study can provide a useful tool for a more thorough understanding of the dynamics networks.

  18. Coarse-grained DNA model capable of simulating ribose flexibility

    CERN Document Server

    Kovaleva, Natalya A; Mazo, Mikhail A; Zubova, Elena A

    2014-01-01

    We propose a "sugar" coarse-grained (CG) DNA model capable of simulating both biologically significant B- and A-DNA forms. The number of degrees of freedom is reduced to six grains per nucleotide. We show that this is the minimal number sufficient for this purpose. The key features of the sugar CG DNA model are: (1) simulation of sugar repuckering between C2'-endo and C3'-endo by the use of one non-harmonic potential and one three-particle potential, (2) explicit representation of sodium counterions and (3) implicit solvent approach. Effects of solvation and of partial charge screening at small distances are taken into account through the shape of potentials of interactions between charged particles. We obtain parameters of the sugar CG DNA model from the all-atom AMBER model. The suggested model allows adequate simulation of the transitions between A- and B-DNA forms, as well as of large deformations of long DNA molecules, for example, in binding with proteins. Small modifications of the model can provide th...

  19. The electroweak phase transition in models with gauge singlets

    Energy Technology Data Exchange (ETDEWEB)

    Ahriche, A.

    2007-04-18

    A strong first order phase transition is needed for generating the baryon asymmetry; and also to save it during the electroweak phase transition (EWPT). However this condition is not fulfilled within the Standard Model (SM), but in its extensions. It is widely believed that the existence of singlet scalars in some Standard Model extensions can easily make the EWPT strongly first order. In this work, we will examine the strength of the EWPT in the simplest extension of the SM with a real gauge singlet using the sphaleron energy at the critical temperature. We find that the phase transition is stronger by adding a singlet; and also that the criterion for a strong phase transition {omega}(T{sub c})/T{sub c} >or similar 1, where {omega} = (v{sup 2} + (x - x{sub 0}){sup 2}){sup (}1)/(2) and x(x{sub 0}) is the singlet vacuum expectation value in the broken (symmetric) phase, is not valid for models containing singlets, even though often used in the literature. The usual condition v{sub c}/T{sub c} >or similar 1 is more meaningful, and it is satisfied for the major part of the parameter space for physically allowed Higgs masses. Then it is convenient to study the EWPT in models with singlets that couple only to the Higgs doublets, by replacing the singlets by their vevs. (orig.)

  20. Instabilities near the QCD phase transition in the holographic models

    NARCIS (Netherlands)

    Gürsoy, U.; Lin, S.; Shuryak, E.

    2013-01-01

    This paper discusses phenomena close to the critical QCD temperature, using the holographic model. One issue studied is the overcooled high-T phase, in which we calculate quasinormal sound modes. We do not find instabilities associated with other first-order phase transitions, but nevertheless obser

  1. On the logical specification of probabilistic transition models

    CSIR Research Space (South Africa)

    Rens, G

    2013-05-01

    Full Text Available We investigate the requirements for specifying the behaviors of actions in a stochastic domain. That is, we propose how to write sentences in a logical language to capture a model of probabilistic transitions due to the execution of actions of some...

  2. Inventory Reduction Using Business Process Reengineering and Simulation Modeling.

    Science.gov (United States)

    1996-12-01

    center is analyzed using simulation modeling and business process reengineering (BPR) concepts. The two simulation models were designed and evaluated by...reengineering and simulation modeling offer powerful tools to aid the manager in reducing cycle time and inventory levels.

  3. Simulation and modeling of turbulent flows

    CERN Document Server

    Gatski, Thomas B; Lumley, John L

    1996-01-01

    This book provides students and researchers in fluid engineering with an up-to-date overview of turbulent flow research in the areas of simulation and modeling. A key element of the book is the systematic, rational development of turbulence closure models and related aspects of modern turbulent flow theory and prediction. Starting with a review of the spectral dynamics of homogenous and inhomogeneous turbulent flows, succeeding chapters deal with numerical simulation techniques, renormalization group methods and turbulent closure modeling. Each chapter is authored by recognized leaders in their respective fields, and each provides a thorough and cohesive treatment of the subject.

  4. Modeling & Simulation Executive Agent Panel

    Science.gov (United States)

    2007-11-02

    Richard W. ; 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME AND ADDRESS Office of the Oceanographer of the Navy...acquisition, and training communities.” MSEA Role • Facilitator in the project startup phase • Catalyst during development • Certifier in the...ACOUSTIC MODELS Parabolic Equation 5.0 ASTRAL 5.0 ASPM 4.3 Gaussian Ray Bundle 1.0 High Freq Env Acoustic (HFEVA) 1.0 COLOSSUS II 1.0 Low Freq Bottom LOSS

  5. MODELLING, SIMULATING AND OPTIMIZING BOILERS

    DEFF Research Database (Denmark)

    Sørensen, K.; Condra, T.; Houbak, Niels

    2003-01-01

    , and the total stress level (i.e. stresses introduced due to internal pressure plus stresses introduced due to temperature gradients) must always be kept below the allowable stress level. In this way, the increased water-/steam space that should allow for better dynamic performance, in the end causes limited...... freedom with respect to dynamic operation of the plant. By means of an objective function including as well the price of the plant as a quantification of the value of dynamic operation of the plant an optimization is carried out. The dynamic model of the boiler plant is applied to define parts...

  6. Modelling, simulating and optimizing Boilers

    DEFF Research Database (Denmark)

    Sørensen, Kim; Condra, Thomas Joseph; Houbak, Niels

    2003-01-01

    , and the total stress level (i.e. stresses introduced due to internal pressure plus stresses introduced due to temperature gradients) must always be kept below the allowable stress level. In this way, the increased water-/steam space that should allow for better dynamic performance, in the end causes limited...... freedom with respect to dynamic operation of the plant. By means of an objective function including as well the price of the plant as a quantication of the value of dynamic operation of the plant an optimization is carried out. The dynamic model of the boiler plant is applied to dene parts...

  7. Simulering af dagslys i digitale modeller

    DEFF Research Database (Denmark)

    Villaume, René Domine; Ørstrup, Finn Rude

    2004-01-01

    Projektet undersøger via forskellige simuleringer af dagslys, kvaliteten af visualiseringer af komplekse lysforhold i digitale modeller i forbindelse med formidling af arkitektur via nettet. I en digital 3D model af Utzon Associates Paustians hus, simulers naturligt dagslysindfald med  forskellig...... Renderingsmetoder som: "shaded render" /  ”raytraceing” /  "Final Gather /  ”Global Illumination”...

  8. Validity of microgravity simulation models on earth

    DEFF Research Database (Denmark)

    Regnard, J; Heer, M; Drummer, C

    2001-01-01

    Many studies have used water immersion and head-down bed rest as experimental models to simulate responses to microgravity. However, some data collected during space missions are at variance or in contrast with observations collected from experimental models. These discrepancies could reflect inc...

  9. Molecular simulation and modeling of complex I.

    Science.gov (United States)

    Hummer, Gerhard; Wikström, Mårten

    2016-07-01

    Molecular modeling and molecular dynamics simulations play an important role in the functional characterization of complex I. With its large size and complicated function, linking quinone reduction to proton pumping across a membrane, complex I poses unique modeling challenges. Nonetheless, simulations have already helped in the identification of possible proton transfer pathways. Simulations have also shed light on the coupling between electron and proton transfer, thus pointing the way in the search for the mechanistic principles underlying the proton pump. In addition to reviewing what has already been achieved in complex I modeling, we aim here to identify pressing issues and to provide guidance for future research to harness the power of modeling in the functional characterization of complex I. This article is part of a Special Issue entitled Respiratory complex I, edited by Volker Zickermann and Ulrich Brandt. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Hybrid simulation models of production networks

    CERN Document Server

    Kouikoglou, Vassilis S

    2001-01-01

    This book is concerned with a most important area of industrial production, that of analysis and optimization of production lines and networks using discrete-event models and simulation. The book introduces a novel approach that combines analytic models and discrete-event simulation. Unlike conventional piece-by-piece simulation, this method observes a reduced number of events between which the evolution of the system is tracked analytically. Using this hybrid approach, several models are developed for the analysis of production lines and networks. The hybrid approach combines speed and accuracy for exceptional analysis of most practical situations. A number of optimization problems, involving buffer design, workforce planning, and production control, are solved through the use of hybrid models.

  11. Predict the glass transition temperature of glycerol-water binary cryoprotectant by molecular dynamic simulation.

    Science.gov (United States)

    Li, Dai-Xi; Liu, Bao-Lin; Liu, Yi-shu; Chen, Cheng-lung

    2008-04-01

    Vitrification is proposed to be the best way for the cryopreservation of organs. The glass transition temperature (T(g)) of vitrification solutions is a critical parameter of fundamental importance for cryopreservation by vitrification. The instruments that can detect the thermodynamic, mechanical and dielectric changes of a substance may be used to determine the glass transition temperature. T(g) is usually measured by using differential scanning calorimetry (DSC). In this study, the T(g) of the glycerol-aqueous solution (60%, wt/%) was determined by isothermal-isobaric molecular dynamic simulation (NPT-MD). The software package Discover in Material Studio with the Polymer Consortium Force Field (PCFF) was used for the simulation. The state parameters of heat capacity at constant pressure (C(p)), density (rho), amorphous cell volume (V(cell)) and specific volume (V(specific)) and radial distribution function (rdf) were obtained by NPT-MD in the temperature range of 90-270K. These parameters showed a discontinuity at a specific temperature in the plot of state parameter versus temperature. The temperature at the discontinuity is taken as the simulated T(g) value for glycerol-water binary solution. The T(g) values determined by simulation method were compared with the values in the literatures. The simulation values of T(g) (160.06-167.51K) agree well with the DSC results (163.60-167.10K) and the DMA results (159.00K). We drew the conclusion that molecular dynamic simulation (MDS) is a potential method for investigating the glass transition temperature (T(g)) of glycerol-water binary cryoprotectants and may be used for other vitrification solutions.

  12. Investigating Output Accuracy for a Discrete Event Simulation Model and an Agent Based Simulation Model

    CERN Document Server

    Majid, Mazlina Abdul; Siebers, Peer-Olaf

    2010-01-01

    In this paper, we investigate output accuracy for a Discrete Event Simulation (DES) model and Agent Based Simulation (ABS) model. The purpose of this investigation is to find out which of these simulation techniques is the best one for modelling human reactive behaviour in the retail sector. In order to study the output accuracy in both models, we have carried out a validation experiment in which we compared the results from our simulation models to the performance of a real system. Our experiment was carried out using a large UK department store as a case study. We had to determine an efficient implementation of management policy in the store's fitting room using DES and ABS. Overall, we have found that both simulation models were a good representation of the real system when modelling human reactive behaviour.

  13. Catastrophe,hysteresis and bifurcation of mode transition in scramjet engines and its model

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    This paper describes a class of nonlinear phenomena existing in the hypersonic flow and supersonic combustion process of scramjet engines:catastrophe,hysteresis and bifurcation,and further finds out the general rules(topological invariance)for the stability boundaries of mode transition in scramjet engines.With this topological invariance,a topological approach is put forward to model the stability boundaries,which may contribute to a complexity reduction of high-dimensional modeling when con-sidering more perturbation parameters,and help to explore the physical laws of the nonlinear phe-nomena.Accordingly,this paper interprets the characteristic of combustion mode transition based on the cusp topological model in singular theories,and observes the bifurcation characteristic in com-bustion mode transition.Moreover,a modeling approach is proposed to mathematically describe the stability boundaries of combustion mode transition in scramjet engines,and the model has high ac-curacy comparing to the simulation data,which proves the validation of the basic ideas proposed in this paper.Finally,future research directions are proposed.

  14. Catastrophe, hysteresis and bifurcation of mode transition in scramjet engines and its model

    Institute of Scientific and Technical Information of China (English)

    YU DaRen; CUI Tao; BAO Wen

    2009-01-01

    This paper describes a class of nonlinear phenomena existing in the hypersonic flow and supersonic combustion process of scramjet engines: catastrophe, hysteresis and bifurcation, and further finds out the general rules (topological invariance) for the stability boundaries of mode transition in scramjet engines. With this topological invariance, a topological approach is put forward to model the stability boundaries, which may contribute to a complexity reduction of high-dimensional modeling when con-sidering more perturbation parameters, and help to explore the physical laws of the nonlinear phe-nomena. Accordingly, this paper interprets the characteristic of combustion mode transition based on the cusp topological model in singular theories, and observes the bifurcation characteristic in com-bustion mode transition. Moreover, a modeling approach is proposed to mathematically describe the stability boundaries of combustion mode transition in scramjet engines, and the model has high ac-curacy comparing to the simulation data, which proves the validation of the basic ideas proposed in this paper. Finally, future research directions are proposed.

  15. Phase transitions in a new car-following traffic flow model

    Institute of Scientific and Technical Information of China (English)

    Li Li; Shi Peng-Fei

    2005-01-01

    In this paper, we investigate the performance of the well-known optimal velocity car-following model(the OVM) with numerical simulation in describing the acceleration process that is induced by the motion of a ldading car with a pre-specifide speed profile. Results show that this model is to some extent deficient in performing this process. Modification of the OVM to overcome the deficiency is demonstrated. The linear stability for the modified model is analysed. If the linear stability condition can not be satisfied, phase transitions occur on varying the initial homogeneous headway of the traffic flow.

  16. Phase transition in a sexual age-structured model of learning foreign languages

    CERN Document Server

    Schwämmle, V

    2005-01-01

    The understanding of language competition helps us to predict extinction and survival of languages spoken by minorities. A simple agent-based model of a sexual population, based on the Penna model, is built in order to find out under which circumstances one language dominates other ones. This model considers that only young people learn foreign languages. The simulations show a first order phase transition where the ratio between the number of speakers of different languages is the order parameter and the mutation rate is the control one.

  17. Early Warning Signals for Regime Transition in the Stable Boundary Layer: A Model Study

    Science.gov (United States)

    van Hooijdonk, I. G. S.; Moene, A. F.; Scheffer, M.; Clercx, H. J. H.; van de Wiel, B. J. H.

    2017-02-01

    The evening transition is investigated in an idealized model for the nocturnal boundary layer. From earlier studies it is known that the nocturnal boundary layer may manifest itself in two distinct regimes, depending on the ambient synoptic conditions: strong-wind or overcast conditions typically lead to weakly stable, turbulent nights; clear-sky and weak-wind conditions, on the other hand, lead to very stable, weakly turbulent conditions. Previously, the dynamical behaviour near the transition between these regimes was investigated in an idealized setting, relying on Monin-Obukhov (MO) similarity to describe turbulent transport. Here, we investigate a similar set-up, using direct numerical simulation; in contrast to MO-based models, this type of simulation does not need to rely on turbulence closure assumptions. We show that previous predictions are verified, but now independent of turbulence parametrizations. Also, it appears that a regime shift to the very stable state is signaled in advance by specific changes in the dynamics of the turbulent boundary layer. Here, we show how these changes may be used to infer a quantitative estimate of the transition point from the weakly stable boundary layer to the very stable boundary layer. In addition, it is shown that the idealized, nocturnal boundary-layer system shares important similarities with generic non-linear dynamical systems that exhibit critical transitions. Therefore, the presence of other, generic early warning signals is tested as well. Indeed, indications are found that such signals are present in stably stratified turbulent flows.

  18. Network Inoculation: Heteroclinics and phase transitions in an epidemic model

    CERN Document Server

    Yang, Hui; Gross, Thilo

    2016-01-01

    In epidemiological modelling, dynamics on networks, and in particular adaptive and heterogeneous networks have recently received much interest. Here we present a detailed analysis of a previously proposed model that combines heterogeneity in the individuals with adaptive rewiring of the network structure in response to a disease. We show that in this model qualitative changes in the dynamics occur in two phase transitions. In a macroscopic description one of these corresponds to a local bifurcation whereas the other one corresponds to a non-local heteroclinic bifurcation. This model thus provides a rare example of a system where a phase transition is caused by a non-local bifurcation, while both micro- and macro-level dynamics are accessible to mathematical analysis. The bifurcation points mark the onset of a behaviour that we call network inoculation. In the respective parameter region exposure of the system to a pathogen will lead to an outbreak that collapses, but leaves the network in a configuration wher...

  19. Modeling the Coordinated Operation between Bus Rapid Transit and Bus

    Directory of Open Access Journals (Sweden)

    Jiaqing Wu

    2015-01-01

    Full Text Available The coordination between bus rapid transit (BRT and feeder bus service is helpful in improving the operational efficiency and service level of urban public transport system. Therefore, a coordinated operation model of BRT and bus is intended to develop in this paper. The total costs are formulated and optimized by genetic algorithm. Moreover, the skip-stop BRT operation is considered when building the coordinated operation model. A case of the existing bus network in Beijing is studied, the proposed coordinated operation model of BRT and bus is applied, and the optimized headway and costs are obtained. The results show that the coordinated operation model could effectively decrease the total costs of the transit system and the transfer time of passengers. The results also suggest that the coordination between the skip-stop BRT and bus during peak hour is more effective than non-coordination operation.

  20. Power electronics system modeling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Jih-Sheng

    1994-12-31

    This paper introduces control system design based softwares, SIMNON and MATLAB/SIMULINK, for power electronics system simulation. A complete power electronics system typically consists of a rectifier bridge along with its smoothing capacitor, an inverter, and a motor. The system components, featuring discrete or continuous, linear or nonlinear, are modeled in mathematical equations. Inverter control methods,such as pulse-width-modulation and hysteresis current control, are expressed in either computer algorithms or digital circuits. After describing component models and control methods, computer programs are then developed for complete systems simulation. Simulation results are mainly used for studying system performances, such as input and output current harmonics, torque ripples, and speed responses. Key computer programs and simulation results are demonstrated for educational purposes.

  1. Simulation of Gravity Currents Using VOF Model

    Institute of Scientific and Technical Information of China (English)

    邹建锋; 黄钰期; 应新亚; 任安禄

    2002-01-01

    By the Volume of Fluid (VOF) multiphase flow model two-dimensional gravity currents with three phases including air are numerically simulated in this article. The necessity of consideration of turbulence effect for high Reynolds numbers is demonstrated quantitatively by LES (the Large Eddy Simulation) turbulence model. The gravity currents are simulated for h ≠ H as well as h = H, where h is the depth of the gravity current before the release and H is the depth of the intruded fluid. Uprising of swell occurs when a current flows horizontally into another lighter one for h ≠ H. The problems under what condition the uprising of swell occurs and how long it takes are considered in this article. All the simulated results are in reasonable agreement with the experimental results available.

  2. Gas and dust hydrodynamical simulations of massive lopsided transition discs - II. Dust concentration

    OpenAIRE

    2015-01-01

    We investigate the dynamics of large dust grains in massive lopsided transition discs via 2D hydrodynamical simulations including both gas and dust. Our simulations adopt a ring-like gas density profile that becomes unstable against the Rossby-wave instability and forms a large crescent-shaped vortex. When gas self-gravity is discarded, but the indirect force from the displacement of the star by the vortex is included, we confirm that dust grains with stopping times of order the orbital time,...

  3. Dynamical Phase Transition in a Model for Evolution with Migration

    Science.gov (United States)

    Waclaw, Bartłomiej; Allen, Rosalind J.; Evans, Martin R.

    2010-12-01

    We study a simple quasispecies model for evolution in two different habitats, with different fitness landscapes, coupled through one-way migration. Our key finding is a dynamical phase transition at a critical value of the migration rate, at which the time to reach the steady state diverges. The genetic composition of the population is qualitatively different above and below the transition. Using results from localization theory, we show that the critical migration rate may be very small—demonstrating that evolutionary outcomes can be very sensitive to even a small amount of migration.

  4. Model investigation of non-thermal phase transition in high energy collisions

    Institute of Scientific and Technical Information of China (English)

    王琴; 李治明; 刘连寿

    2000-01-01

    The non-thermal phase transition in high energy collisions is studied in detail in the frame-work of random cascade model. The relation between the characteristic parameter γq of phase transition and the rank q of moment is obtained using Monte Carlo simulation, and the existence of two phases in self-similar cascading multiparticle systems is shown. The relation between the critical point qc of phase transition on the fluctuation parameter a is obtained and compared with the experimental results from NA22. The same study is carried out also by analytical calculation under central limit ap-proximation. The range of validity of the central limit approximation is discussed.

  5. A boundary field induced first-order transition in the 2D Ising model: numerical study

    Energy Technology Data Exchange (ETDEWEB)

    Bittner, Elmar; Janke, Wolfhard [Institut fuer Theoretische Physik and Centre for Theoretical Sciences (NTZ), Universitaet Leipzig, Postfach 100 920, D-04009 Leipzig (Germany)], E-mail: elmar.bittner@itp.uni-leipzig.de, E-mail: Wolfhard.janke@itp.uni-leipzig.de

    2008-10-03

    In a recent paper, Clusel and Fortin (2006 J. Phys. A: Math. Gen. 39 995) presented an analytical study of a first-order transition induced by an inhomogeneous boundary magnetic field in the two-dimensional Ising model. They identified the transition that separates the regime where the interface is localized near the boundary from that where it propagates inside the bulk. Inspired by these results, we measured the interface tension by using multimagnetic simulations combined with parallel tempering to determine the phase transition and the location of the interface. Our results are in very good agreement with the theoretical predictions. Furthermore, we studied the spin-spin correlation function for which no analytical results are available.

  6. Comparing allosteric transitions in the domains of calmodulin through coarse-grained simulations

    CERN Document Server

    Nandigrami, Prithviraj

    2015-01-01

    Calmodulin (CaM) is a ubiquitous calcium binding protein consisting of two structurally similar domains with distinct stabilities, binding affinities, and flexibilities. We present coarse grained simulations that suggest the mechanism for the domain's allosteric transitions between the open and closed conformations depend on subtle differences in the folded state topology of the two domains. Throughout a wide temperature range, the simulated transition mechanism of the N-terminal domain (nCaM) follows a two-state transition mechanism while domain opening in the C-terminal domain (cCaM) involves unfolding and refolding of the tertiary structure. The appearance of the unfolded intermediate occurs at a higher temperature in nCaM than it does in cCaM. That is, we find that cCaM unfolds more readily along the transition route than nCaM. Furthermore, unfolding and refolding of the domain significantly slows the domain opening and closing rates of cCaM, a distinct scenario which can potentially influence the mechani...

  7. Finite Element Modeling of Metasurfaces with Generalized Sheet Transition Conditions

    CERN Document Server

    Sandeep, Srikumar; Caloz, Christophe

    2016-01-01

    A modeling of metasurfaces in the finite element method (FEM) based on generalized sheet transition conditions (GSTCs) is presented. The discontinuities in electromagnetic fields across a metasurface as represented by the GSTC are modeled by assigning nodes to both sides of the metasurface. The FEM-GSTC formulation in both 1D and 2D domains is derived and implemented. The method is extended to handle more general bianistroptic metasurfaces. The formulations are validated by several illustrative examples.

  8. Modeling the Coordinated Operation between Bus Rapid Transit and Bus

    OpenAIRE

    Jiaqing Wu; Rui Song; Youan Wang; Feng Chen; Shubin Li

    2015-01-01

    The coordination between bus rapid transit (BRT) and feeder bus service is helpful in improving the operational efficiency and service level of urban public transport system. Therefore, a coordinated operation model of BRT and bus is intended to develop in this paper. The total costs are formulated and optimized by genetic algorithm. Moreover, the skip-stop BRT operation is considered when building the coordinated operation model. A case of the existing bus network in Beijing is studied, the ...

  9. Economic development and the transition to democracy a formal model

    OpenAIRE

    Baizhu Chen; Yi Feng

    1998-01-01

    In this essay, we have developed a rational choice model to study the transition to democracy. Such a model implies that the change or maintenance of a political system is the result of rational decisions by individuals, interest groups, and political parties under specific constraints. Our analysis shows that political systems are critically dependent upon the level of economic development. If a nation is at the lower stage of economic development, and, particularly, if its citizenry is poor...

  10. Development of NASA's Models and Simulations Standard

    Science.gov (United States)

    Bertch, William J.; Zang, Thomas A.; Steele, Martin J.

    2008-01-01

    From the Space Shuttle Columbia Accident Investigation, there were several NASA-wide actions that were initiated. One of these actions was to develop a standard for development, documentation, and operation of Models and Simulations. Over the course of two-and-a-half years, a team of NASA engineers, representing nine of the ten NASA Centers developed a Models and Simulation Standard to address this action. The standard consists of two parts. The first is the traditional requirements section addressing programmatics, development, documentation, verification, validation, and the reporting of results from both the M&S analysis and the examination of compliance with this standard. The second part is a scale for evaluating the credibility of model and simulation results using levels of merit associated with 8 key factors. This paper provides an historical account of the challenges faced by and the processes used in this committee-based development effort. This account provides insights into how other agencies might approach similar developments. Furthermore, we discuss some specific applications of models and simulations used to assess the impact of this standard on future model and simulation activities.

  11. Simulation of no oxidation catalysis over oxygen-covered transition metal surfaces

    Science.gov (United States)

    Getman, Rachel B.

    Lean burn (excess O2) automobile engines are more energy efficient than their stoichiometric or rich (O2 starved) burn counterparts, but technologies do not exist to effectively remediate harmful NO x (x = 1,2) compounds from lean exhaust. Current removal strategies rely in part on the catalytic oxidation of NO to NO 2 NO+1/2O2 \\rarrr NO2 Pt is the most active metal, but there is a strong drive to use less expensive materials. Understanding how Pt functions is a key step in catalyst design. Prior experiments and theory indicate the catalysis is promoted at high O coverage (thetaO = NO/ NPt), but too much O is inhibitive: Pt is prone to oxidative deactivation. The rate is promoted by high O2 pressures and inhibited by product NO2. The latter is true even after correcting for approach to equilibrium, suggesting NO2 hinders the reaction kinetics. In this work, we attempt to understand these phenomena with molecular simulation. We use density functional theory, first principles thermodynamics, and mean field microkinetic modeling to elucidate the catalysis under actual reaction conditions. We find the reaction occurs at 0.25--0.50 monolayer O. At these thetaO, the kinetics of O2 dissociation (O2 + 2* → 2O*) are strongly inhibited due to repulsive interactions on the surface, but the O--NO bond formation (NO* + O* ⇌ NO2 + 2*) kinetics are facile. In contrast to prior reports, we show O2 dissociation is rate limiting, and O--NO bond formation is equilibrated. The rate is strongly dependent on pO2 , and the O coverage is governed by pNO2 /pNO, leading to the observed rate inhibition by NO2. These observations are in excellent agreement with experiment. We apply our models to other transition metals and transition metal alloys to facilitate new catalyst design. Analysis indicates such materials should exhibit nearly identical behavior to Pt, offering no improvements in rate or propensity to oxidize. Screening the catalytic properties of Au nanoparticles and the O

  12. Development of a One-Equation Transition/Turbulence Model

    Energy Technology Data Exchange (ETDEWEB)

    EDWARDS,JACK R.; ROY,CHRISTOPHER J.; BLOTTNER,FREDERICK G.; HASSAN,HASSAN A.

    2000-09-26

    This paper reports on the development of a unified one-equation model for the prediction of transitional and turbulent flows. An eddy viscosity - transport equation for non-turbulent fluctuation growth based on that proposed by Warren and Hassan (Journal of Aircraft, Vol. 35, No. 5) is combined with the Spalart-Allmaras one-equation model for turbulent fluctuation growth. Blending of the two equations is accomplished through a multidimensional intermittence function based on the work of Dhawan and Narasimha (Journal of Fluid Mechanics, Vol. 3, No. 4). The model predicts both the onset and extent of transition. Low-speed test cases include transitional flow over a flat plate, a single element airfoil, and a multi-element airfoil in landing configuration. High-speed test cases include transitional Mach 3.5 flow over a 5{degree} cone and Mach 6 flow over a flared-cone configuration. Results are compared with experimental data, and the spatial accuracy of selected predictions is analyzed.

  13. batman: BAsic Transit Model cAlculatioN in Python

    Science.gov (United States)

    Kreidberg, Laura

    2015-11-01

    I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman .

  14. batman: BAsic Transit Model cAlculatioN in Python

    CERN Document Server

    Kreidberg, Laura

    2015-01-01

    I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman.

  15. Efficient Bayesian estimation of Markov model transition matrices with given stationary distribution

    CERN Document Server

    Trendelkamp-Schroer, Benjamin

    2013-01-01

    Direct simulation of biomolecular dynamics in thermal equilibrium is challenging due to the metastable nature of conformation dynamics and the computational cost of molecular dynamics. Biased or enhanced sampling methods may improve the convergence of expectation values of equilibrium probabilities and expectation values of stationary quantities significantly. Unfortunately the convergence of dynamic observables such as correlation functions or timescales of conformational transitions relies on direct equilibrium simulations. Markov state models are well suited to describe both, stationary properties and properties of slow dynamical processes of a molecular system, in terms of a transition matrix for a jump process on a suitable discretiza- tion of continuous conformation space. Here, we introduce statistical estimation methods that allow a priori knowledge of equilibrium probabilities to be incorporated into the estimation of dynamical observables. Both, maximum likelihood methods and an improved Monte Carlo...

  16. Modelling and Simulation of Crude Oil Dispersion

    Directory of Open Access Journals (Sweden)

    Abdulfatai JIMOH

    2006-01-01

    Full Text Available This research work was carried out to develop a model equation for the dispersion of crude oil in water. Seven different crude oils (Bonny Light, Antan Terminal, Bonny Medium, Qua Iboe Light, Brass Light Mbede, Forcados Blend and Heavy H were used as the subject crude oils. The developed model equation in this project which is given as...It was developed starting from the equation for the oil dispersion rate in water which is given as...The developed equation was then simulated with the aid of MathCAD 2000 Professional software. The experimental and model results obtained from the simulation of the model equation were plotted on the same axis against time of dispersion. The model results revealed close fittings between the experimental and the model results because the correlation coefficients and the r-square values calculated using Spreadsheet Program were both found to be unity (1.00.

  17. Charged Lepton Flavor-violating Transitions in Color Octet Model

    CERN Document Server

    Li, Bin; Ma, Xiao-Dong

    2016-01-01

    We study charged lepton flavor-violating (LFV) transitions in the color octet model that generates neutrino mass and lepton mixing at one loop. By taking into account neutrino oscillation data and assuming octet particles of TeV scale mass, we examine the feasibility to detect these transitions in current and future experiments. We find that for general values of parameters the branching ratios for LFV decays of the Higgs and $Z$ bosons are far below current and even future experimental bounds. For LFV transitions of the muon, the present bounds can be satisfied generally, while future sensitivities could distinguish between the singlet and triplet color-octet fermions. The triplet case could be ruled out by future $\\mu-e$ conversion in nuclei, and for the singlet case the conversion and the decays $\\mu\\to 3e,~e\\gamma$ play complementary roles in excluding relatively low mass regions of the octet particles.

  18. Phase transition with an isospin dependent lattice gas model

    Energy Technology Data Exchange (ETDEWEB)

    Gulminelli, F. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Chomaz, Ph. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)

    1998-10-01

    The nuclear liquid-gas phase transition is studied within an isospin dependent Lattice Gas Model in the canonical ensemble. Finite size effects on thermodynamical variables are analyzed by a direct calculation of the partition function, and it is shown that phase coexistence and phase transition are relevant concepts even for systems of a few tens of particles. Critical exponents are extracted from the behaviour of the fragment production yield as a function of temperature by means of a finite size scaling. The result is that in a finite system well defined critical signals can be found at supercritical (Kertesz line) as well as subcritical densities. For isospin asymmetric systems it is shown that, besides the modification of the critical temperature, isotopic distributions can provide an extra observable to identify and characterize the transition. (author) 21 refs.

  19. Charged lepton flavor-violating transitions in color octet model

    Energy Technology Data Exchange (ETDEWEB)

    Li, Bin; Ma, Xiao-Dong [Nankai University, School of Physics, Tianjin (China); Liao, Yi [Nankai University, School of Physics, Tianjin (China); Chinese Academy of Sciences, CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Beijing (China); Peking University, Center for High Energy Physics, Beijing (China)

    2016-11-15

    We study charged lepton flavor-violating (LFV) transitions in the color octet model that generates neutrino mass and lepton mixing at one loop. By taking into account neutrino oscillation data and assuming octet particles of TeV scale mass, we examine the feasibility to detect these transitions in current and future experiments. We find that for general values of parameters the branching ratios for LFV decays of the Higgs and Z bosons are far below current and even future experimental bounds. For LFV transitions of the muon, the present bounds can be satisfied generally, while future sensitivities could distinguish between the singlet and triplet color-octet fermions. The triplet case could be ruled out by future μ - e conversion in nuclei, and for the singlet case the conversion and the decays μ → 3e, eγ play complementary roles in excluding relatively low-mass regions of the octet particles. (orig.)

  20. Flow transitions in model Czochralski GaAs melt

    Institute of Scientific and Technical Information of China (English)

    CHEN Shu-xian; LI Ming-wei

    2006-01-01

    The flow and heat transfer of molten GaAs during Czochralski growth are studied with a time-dependent and three-dimensional turbulent flow model. A transition from axisymmetric flow to non-axisymmetric flow and then back to axisymmetric flow again with increasing the crucible rotation rate is predicted. In the non-axisymmetric regime, the thermal wave induced by the combination of coriolis force, buoyancy and viscous force in the GaAs melt is predicted for the first time. The thermal wave is confirmed to be baroclinic thermal wave. The origin of the transition to non-axisymmetric flow is baroclinic instability. The critical parameters for the transitions are presented, which are quantitatively in agreement with Fein and Preffer's experimental results. The calculated results can be taken as a reference for the growth of GaAs single-crystal of high quality.