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.
GENESIS - The GENEric SImulation System for Modelling State Transitions.
Gillman, Matthew S
2017-09-20
This software implements a discrete time Markov chain model, used to model transitions between states when the transition probabilities are known a priori . It is highly configurable; the user supplies two text files, a "state transition table" and a "config file", to the Perl script genesis.pl. Given the content of these files, the script generates a set of C++ classes based on the State design pattern, and a main program, which can then be compiled and run. The C++ code generated is based on the specification in the text files. Both multiple branching and bi-directional transitions are allowed. The software has been used to model the natural histories of colorectal cancer in Mexico. Although written primarily to model such disease processes, it can be used in any process which depends on discrete states with known transition probabilities between those states. One suitable area may be in environmental modelling. A test suite is supplied with the distribution. Due to its high degree of configurability and flexibility, this software has good re-use potential. It is stored on the Figshare repository.
Predicting landscape vegetation dynamics using state-and-transition simulation models
Colin J. Daniel; Leonardo. Frid
2012-01-01
This paper outlines how state-and-transition simulation models (STSMs) can be used to project changes in vegetation over time across a landscape. STSMs are stochastic, empirical simulation models that use an adapted Markov chain approach to predict how vegetation will transition between states over time, typically in response to interactions between succession,...
Becky K. Kerns; Miles A. Hemstrom; David Conklin; Gabriel I. Yospin; Bart Johnson; Dominique Bachelet; Scott Bridgham
2012-01-01
Understanding landscape vegetation dynamics often involves the use of scientifically-based modeling tools that are capable of testing alternative management scenarios given complex ecological, management, and social conditions. State-and-transition simulation model (STSM) frameworks and software such as PATH and VDDT are commonly used tools that simulate how landscapes...
A Coupled Groundwater-Surface Water Modeling Framework for Simulating Transition Zone Processes.
Mugunthan, Pradeep; Russell, Kevin T; Gong, Binglei; Riley, Michael J; Chin, Arthur; McDonald, Blair G; Eastcott, Linda J
2017-05-01
There is an identified need for fully representing groundwater-surface water transition zone (i.e., the sediment zone that connects groundwater and surface water) processes in modeling fate and transport of contaminants to assist with management of contaminated sediments. Most existing groundwater and surface water fate and transport models are not dynamically linked and do not consider transition zone processes such as bioturbation and deposition and erosion of sediments. An interface module is developed herein to holistically simulate the fate and transport by coupling two commonly used models, Environmental Fluid Dynamics Code (EFDC) and SEAWAT, to simulate surface water and groundwater hydrodynamics, while providing an enhanced representation of the processes in the transition zone. Transition zone and surface water contaminant processes were represented through an enhanced version of the EFDC model, AQFATE. AQFATE also includes SEDZLJ, a state-of-the-science surface water sediment transport model. The modeling framework was tested on a published test problem and applied to evaluate field-scale two- and three-dimensional contaminant transport. The model accurately simulated concentrations of salinity from a published test case. For the field-scale applications, the model showed excellent mass balance closure for the transition zone and provided accurate simulations of all transition zone processes represented in the modeling framework. The model predictions for the two-dimensional field case were consistent with site-specific observations of contaminant migration. This modeling framework represents advancement in the simulation of transition zone processes and can help inform risk assessment at sites where contaminant sources from upland areas have the potential to impact sediments and surface water. © 2016, National Ground Water Association.
International Nuclear Information System (INIS)
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, the author explores simulation models to provide us with answers before policy interventions are implemented and shows that, by developing agent-based models, we can simulate energy transition. Learn about a new framework that enables us to model energy infrastructure systems as complex socio-technical systems, which evolve as a result of distributed decision making by actors in the system. See how running agent-based models let the system structure and dynamics emerge from the interactions between actors and technologies. Understand how actors, who decide on operation and investment, are responsive to policy interventions, market rules, and technological development. Find out from simulations of the electricity production sector, the LNG market, and consumer lighting that interventions in these energy systems do alter their evolution -- they invoke structural, systemic change: transition. This thesis thus demonstrates that agent-based models yield a powerful tool for governments and companies: they allow them to assess the long-term effect of their policies and strategies in our complex, interconnected world.
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.
Simulating the electroweak phase transition in the SU(2) Higgs model
International Nuclear Information System (INIS)
Fodor, Z.; Hein, J.; Jansen, K.; Jaster, A.; Montvay, I.
1994-09-01
Numerical simulations are performed to study the finite temperature phase transition in the SU(2) Higgs model on the lattice. In the presently investigated range of the Higgs boson mass, below 50 GeV, the phase transition turns out to be of first order and its strength is rapidly decreasing with increasing Higgs boson mass. In order to control the systematic errors, we also perform studies of scaling violations and of finite volume effects. (orig.)
State-and-transition simulation models: a framework for forecasting landscape change
Daniel, Colin; Frid, Leonardo; Sleeter, Benjamin M.; Fortin, Marie-Josée
2016-01-01
SummaryA wide range of spatially explicit simulation models have been developed to forecast landscape dynamics, including models for projecting changes in both vegetation and land use. While these models have generally been developed as separate applications, each with a separate purpose and audience, they share many common features.We present a general framework, called a state-and-transition simulation model (STSM), which captures a number of these common features, accompanied by a software product, called ST-Sim, to build and run such models. The STSM method divides a landscape into a set of discrete spatial units and simulates the discrete state of each cell forward as a discrete-time-inhomogeneous stochastic process. The method differs from a spatially interacting Markov chain in several important ways, including the ability to add discrete counters such as age and time-since-transition as state variables, to specify one-step transition rates as either probabilities or target areas, and to represent multiple types of transitions between pairs of states.We demonstrate the STSM method using a model of land-use/land-cover (LULC) change for the state of Hawai'i, USA. Processes represented in this example include expansion/contraction of agricultural lands, urbanization, wildfire, shrub encroachment into grassland and harvest of tree plantations; the model also projects shifts in moisture zones due to climate change. Key model output includes projections of the future spatial and temporal distribution of LULC classes and moisture zones across the landscape over the next 50 years.State-and-transition simulation models can be applied to a wide range of landscapes, including questions of both land-use change and vegetation dynamics. Because the method is inherently stochastic, it is well suited for characterizing uncertainty in model projections. When combined with the ST-Sim software, STSMs offer a simple yet powerful means for developing a wide range of models of
Deflagration to Detonation Transition (DDT) Simulations of HMX Powder Using the HERMES Model
White, Bradley; Reaugh, John; Tringe, Joseph
2017-06-01
We performed computer simulations of DDT experiments with Class I HMX powder using the HERMES model (High Explosive Response to MEchanical Stimulus) in ALE3D. Parameters for the model were fitted to the limited available mechanical property data of the low-density powder, and to the Shock to Detonation Transition (SDT) test results. The DDT tests were carried out in steel-capped polycarbonate tubes. This arrangement permits direct observation of the event using both flash X-ray radiography and high speed camera imaging, and provides a stringent test of the model. We found the calculated detonation transition to be qualitatively similar to experiment. Through simulation we also explored the effects of confinement strength, the HMX particle size distribution and porosity on the computed detonation transition location. This work was performed under the auspices of the US DOE by LLNL under Contract DE-AC52-07NA27344.
Modeling for Transition Management
Chappin, Emile J L; Dijkema, Gerard P.J.
2015-01-01
A framework for the modeling and simulation of transitions is presented. A transition, “substantial change in the state of a socio-technical system”, typically unfolds over a long timespan. We therefore suggest to use simulation to inform transition managers on the effect of their decisions.
Modeling and Simulating Passenger Behavior for a Station Closure in a Rail Transit Network
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. PMID:27935963
Becky K. Kerns; Ayn J. Shlisky; Colin J. Daniel
2012-01-01
The first ever Landscape State-and-Transition Simulation Modeling Conference was held from June 14â16, 2011, in Portland Oregon. The conference brought together over 70 users of state-and-transition simulation modeling toolsâthe Vegetation Dynamics Development Tool (VDDT), the Tool for Exploratory Landscape Analysis (TELSA) and the Path Landscape Model. The goal of the...
Daniel, Colin J.; Sleeter, Benjamin M.; Frid, Leonardo; Fortin, Marie-Josée
2018-01-01
State-and-transition simulation models (STSMs) provide a general framework for forecasting landscape dynamics, including projections of both vegetation and land-use/land-cover (LULC) change. The STSM method divides a landscape into spatially-referenced cells and then simulates the state of each cell forward in time, as a discrete-time stochastic process using a Monte Carlo approach, in response to any number of possible transitions. A current limitation of the STSM method, however, is that all of the state variables must be discrete.Here we present a new approach for extending a STSM, in order to account for continuous state variables, called a state-and-transition simulation model with stocks and flows (STSM-SF). The STSM-SF method allows for any number of continuous stocks to be defined for every spatial cell in the STSM, along with a suite of continuous flows specifying the rates at which stock levels change over time. The change in the level of each stock is then simulated forward in time, for each spatial cell, as a discrete-time stochastic process. The method differs from the traditional systems dynamics approach to stock-flow modelling in that the stocks and flows can be spatially-explicit, and the flows can be expressed as a function of the STSM states and transitions.We demonstrate the STSM-SF method by integrating a spatially-explicit carbon (C) budget model with a STSM of LULC change for the state of Hawai'i, USA. In this example, continuous stocks are pools of terrestrial C, while the flows are the possible fluxes of C between these pools. Importantly, several of these C fluxes are triggered by corresponding LULC transitions in the STSM. Model outputs include changes in the spatial and temporal distribution of C pools and fluxes across the landscape in response to projected future changes in LULC over the next 50 years.The new STSM-SF method allows both discrete and continuous state variables to be integrated into a STSM, including interactions between
Daniel, Colin J.; Sleeter, Benjamin M.; Frid, Leonardo; Fortin, Marie-Josée
2017-01-01
State-and-transition simulation models (STSMs) provide a general framework for forecasting landscape dynamics, including projections of both vegetation and land-use/land-cover (LULC) change. The STSM method divides a landscape into spatially-referenced cells and then simulates the state of each cell forward in time, as a discrete-time stochastic process using a Monte Carlo approach, in response to any number of possible transitions. A current limitation of the STSM method, however, is that all of the state variables must be discrete.Here we present a new approach for extending a STSM, in order to account for continuous state variables, called a state-and-transition simulation model with stocks and flows (STSM-SF). The STSM-SF method allows for any number of continuous stocks to be defined for every spatial cell in the STSM, along with a suite of continuous flows specifying the rates at which stock levels change over time. The change in the level of each stock is then simulated forward in time, for each spatial cell, as a discrete-time stochastic process. The method differs from the traditional systems dynamics approach to stock-flow modelling in that the stocks and flows can be spatially-explicit, and the flows can be expressed as a function of the STSM states and transitions.We demonstrate the STSM-SF method by integrating a spatially-explicit carbon (C) budget model with a STSM of LULC change for the state of Hawai'i, USA. In this example, continuous stocks are pools of terrestrial C, while the flows are the possible fluxes of C between these pools. Importantly, several of these C fluxes are triggered by corresponding LULC transitions in the STSM. Model outputs include changes in the spatial and temporal distribution of C pools and fluxes across the landscape in response to projected future changes in LULC over the next 50 years.The new STSM-SF method allows both discrete and continuous state variables to be integrated into a STSM, including interactions between
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.
The simulation of L-H transition in tokamak plasma using MMM95 transport model
International Nuclear Information System (INIS)
Intharat, P; Poolyarat, N; Chatthong, B; Onjun, T; Picha, R
2015-01-01
BALDUR integrative predictive modelling code together with a Multimode (MMM95) anomalous transport model is used to simulate the evolution profiles, including plasma current, temperature, density and energy in a tokamak reactor. It is found that a self - transition from low confinement mode (L-mode) to high confinement mode (H-mode) regimes can be achieved once a sufficient auxiliary heating applied to the plasma is reached. The result agrees with experimental observations from various tokamaks. A strong reduction of turbulent transport near the edge of plasma is also observed, which is related to the formation of steep radial electric field near the edge regime. From transport analysis, it appears that the resistive ballooning mode is the dominant term near the plasma edge regime, which is significantly reduced during the transition. (paper)
Lozano-Durán, A.; Hack, M. J. P.; Moin, P.
2018-02-01
We examine the potential of the nonlinear parabolized stability equations (PSE) to provide an accurate yet computationally efficient treatment of the growth of disturbances in H-type transition to turbulence. The PSE capture the nonlinear interactions that eventually induce breakdown to turbulence and can as such identify the onset of transition without relying on empirical correlations. Since the local PSE solution at the onset of transition is a close approximation of the Navier-Stokes equations, it provides a natural inflow condition for direct numerical simulations (DNS) and large-eddy simulations (LES) by avoiding nonphysical transients. We show that a combined PSE-DNS approach, where the pretransitional region is modeled by the PSE, can reproduce the skin-friction distribution and downstream turbulent statistics from a DNS of the full domain. When the PSE are used in conjunction with wall-resolved and wall-modeled LES, the computational cost in both the laminar and turbulent regions is reduced by several orders of magnitude compared to DNS.
Neggers, R. A. J.; Ackerman, A. S.; Angevine, W. M.; Bazile, E.; Beau, I.; Blossey, P. N.; Boutle, I. A.; de Bruijn, C.; Cheng, A.; van der Dussen, J.; Fletcher, J.; Dal Gesso, S.; Jam, A.; Kawai, H.; Cheedela, S. K.; Larson, V. E.; Lefebvre, M.-P.; Lock, A. P.; Meyer, N. R.; de Roode, S. R.; de Rooy, W.; Sandu, I.; Xiao, H.; Xu, K.-M.
2017-10-01
Results are presented of the GASS/EUCLIPSE single-column model intercomparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pacific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple metrics to establish the model performance. Using this method, some longstanding problems in low-level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure, and the associated impact on radiative transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median exhibits the well-known "too few too bright" problem. The boundary-layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular, the vertical structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid parameterization.
Simulation of Instability at Transition Energy with a New Impedance Model for CERN PS
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.
Construction of a kinetics model for liquid-solid transitions built from atomistic simulations
Benedict, Lorin; Zepeda-Ruiz, Luis; Haxhimali, Tomorr; Hamel, Sebastien; Sadigh, Babak; Chernov, Alexander; Belof, Jonathan
We discuss work in progress towards a kinetics model for dynamically-driven liquid-solid transitions built from MD simulations. The growth of solid particles within a liquid is studied for a range of conditions, and careful attention is paid to the construction of an accurate multi-phase (equilibrium) equation of state for the system under consideration, in order to provide a framework upon which the non-equilibrium physics is based. His work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC.
International Nuclear Information System (INIS)
Apetrei, Alin Marian; Enachescu, Cristian; Tanasa, Radu; Stoleriu, Laurentiu; Stancu, Alexandru
2010-01-01
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.
Energy Technology Data Exchange (ETDEWEB)
Neggers, R. A. J. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Ackerman, A. S. [NASA Goddard Institute for Space Studies, New York NY USA; Angevine, W. M. [CIRES, University of Colorado, Boulder CO USA; NOAA Earth System Research Laboratory, Boulder CO USA; Bazile, E. [Météo France/CNRM, Toulouse France; Beau, I. [Météo France/ENM, Toulouse France; Blossey, P. N. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; Boutle, I. A. [Met Office, Exeter UK; de Bruijn, C. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Cheng, A. [NOAA Center for Weather and Climate Prediction, Environmental Modeling Center, College Park MD USA; van der Dussen, J. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; Fletcher, J. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; University of Leeds, Leeds UK; Dal Gesso, S. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Jam, A. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Kawai, H. [Meteorological Research Institute, Climate Research Department, Japan Meteorological Agency, Tsukuba Japan; Cheedela, S. K. [Department of Atmosphere in the Earth System, Max-Planck Institut für Meteorologie, Hamburg Germany; Larson, V. E. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; Lefebvre, M. -P. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Lock, A. P. [Met Office, Exeter UK; Meyer, N. R. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; de Roode, S. R. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; de Rooy, W. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Sandu, I. [Section of Physical Aspects, European Centre for Medium-Range Weather Forecasts, Reading UK; Xiao, H. [University of California at Los Angeles, Los Angeles CA USA; Pacific Northwest National Laboratory, Richland WA USA; Xu, K. -M. [NASA Langley Research Centre, Hampton VI USA
2017-10-01
Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate mod- els for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pa- cific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple met- rics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radia- tive transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median ex- hibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the verti- cal structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid pa- rameterization.
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)
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.
Halbe, Johannes; Reusser, Dominik E.; Holtz, Gerog; Stosius, Annette; Kwakkel, Jan; Haasnoot, Marjolijn; Avenhaus, Wiebke
2013-04-01
The delineation of transition pathways towards sustainability and the implementation of associated measures are challenged by uncertainty, structural barriers, and conflicts among affected stakeholders. Experiences from other research domains suggest that the effective application of models to tackle these challenges require the explicit consideration of modeling purposes and roles. We present a classification of modeling roles for the analysis and governance of transitions. Models can support understanding of transitions processes, detect barriers and drivers of change, support the exploration of pathways towards sustainability, and help to actively engage relevant stakeholder groups. For each application area, examples are provided from the transition community and related research fields like environmental modeling and integrated assessment.
Wang, Xiaoling; Meng, Shuo; Han, Jingshi
2017-10-03
The Bacterial flagellar filament can undergo a polymorphic phase transition in response to both mechanical and chemical variations in vitro and in vivo environments. Under mechanical stimuli, such as viscous flow or forces induced by motor rotation, the filament changes its phase from left-handed normal (N) to right-handed semi-coiled (SC) via phase nucleation and growth. Our detailed mechanical analysis of existing experiments shows that both torque and bending moment contribute to the filament phase transition. In this paper, we establish a non-convex and non-local continuum model based on the Ginzburg-Landau theory to describe main characteristics of the filament phase transition such as new-phase nucleation, growth, propagation and the merging of neighboring interfaces. The finite element method (FEM) is adopted to simulate the phase transition under a displacement-controlled loading condition (rotation angle and bending deflection). We show that new-phase nucleation corresponds to the maximum torque and bending moment at the stuck end of the filament. The hysteresis loop in the loading and unloading curves indicates energy dissipation. When the new phase grows and propagates, torque and bending moment remain static. We also find that there is a drop in load when the two interfaces merge, indicating a concomitant reduction in the interfacial energy. Finally, the interface thickness is governed by the coefficients of the gradient of order parameters in the non-local interface energy. Our continuum theory and the finite element method provide a method to study the mechanical behavior of such biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Bauer, Bela; Troyer, Matthias; Gull, Emanuel; Trebst, Simon; Huse, David A
2010-01-01
The numerical simulation of strongly first-order phase transitions has remained a notoriously difficult problem even for classical systems due to the exponentially suppressed (thermal) equilibration in the vicinity of such a transition. In the absence of efficient update techniques, a common approach for improving equilibration in Monte Carlo simulations is broadening the sampled statistical ensemble beyond the bimodal distribution of the canonical ensemble. Here we show how a recently developed feedback algorithm can systematically optimize such broad-histogram ensembles and significantly speed up equilibration in comparison with other extended ensemble techniques such as flat-histogram, multicanonical and Wang–Landau sampling. We simulate, as a prototypical example of a strong first-order transition, the two-dimensional Potts model with up to Q = 250 different states in large systems. The optimized histogram develops a distinct multi-peak structure, thereby resolving entropic barriers and their associated phase transitions in the phase coexistence region—such as droplet nucleation and annihilation, and droplet–strip transitions for systems with periodic boundary conditions. We characterize the efficiency of the optimized histogram sampling by measuring round-trip times τ(N, Q) across the phase transition for samples comprised of N spins. While we find power-law scaling of τ versus N for small Q∼ 2 , we observe a crossover to exponential scaling for larger Q. These results demonstrate that despite the ensemble optimization, broad-histogram simulations cannot fully eliminate the supercritical slowing down at strongly first-order transitions
Application of the algebraic RNG model for transition simulation. [renormalization group theory
Lund, Thomas S.
1990-01-01
The algebraic form of the RNG model of Yakhot and Orszag (1986) is investigated as a transition model for the Reynolds averaged boundary layer equations. It is found that the cubic equation for the eddy viscosity contains both a jump discontinuity and one spurious root. A yet unpublished transformation to a quartic equation is shown to remove the numerical difficulties associated with the discontinuity, but only at the expense of merging both the physical and spurious root of the cubic. Jumps between the branches of the resulting multiple-valued solution are found to lead to oscillations in flat plate transition calculations. Aside from the oscillations, the transition behavior is qualitatively correct.
Bauer, Bela; Gull, Emanuel; Trebst, Simon; Troyer, Matthias; Huse, David A.
2010-01-01
The numerical simulation of strongly first-order phase transitions has remained a notoriously difficult problem even for classical systems due to the exponentially suppressed (thermal) equilibration in the vicinity of such a transition. In the absence of efficient update techniques, a common approach for improving equilibration in Monte Carlo simulations is broadening the sampled statistical ensemble beyond the bimodal distribution of the canonical ensemble. Here we show how a recently developed feedback algorithm can systematically optimize such broad-histogram ensembles and significantly speed up equilibration in comparison with other extended ensemble techniques such as flat-histogram, multicanonical and Wang-Landau sampling. We simulate, as a prototypical example of a strong first-order transition, the two-dimensional Potts model with up to Q = 250 different states in large systems. The optimized histogram develops a distinct multi-peak structure, thereby resolving entropic barriers and their associated phase transitions in the phase coexistence region—such as droplet nucleation and annihilation, and droplet-strip transitions for systems with periodic boundary conditions. We characterize the efficiency of the optimized histogram sampling by measuring round-trip times τ(N, Q) across the phase transition for samples comprised of N spins. While we find power-law scaling of τ versus N for small Q \\lesssim 50 and N \\lesssim 40^2 , we observe a crossover to exponential scaling for larger Q. These results demonstrate that despite the ensemble optimization, broad-histogram simulations cannot fully eliminate the supercritical slowing down at strongly first-order transitions.
Recent developments in the super transition array model for spectral simulation of LTE plasmas
International Nuclear Information System (INIS)
Bar-Shalom, A.; Oreg, J.; Goldstein, W.H.
1992-01-01
Recently developed sub-picosecond pulse lasers have been used to create hot, near solid density plasmas. Since these plasmas are nearly in local thermodynamic equilibrium (LTE), their emission spectra involve a huge number of populated configurations. A typical spectrum is a combination of many unresolved clusters of emission, each containing an immense number of overlapping, unresolvable bound-bound and bound-free transitions. Under LTE, or near LTE conditions, traditional detailed configuration or detailed term spectroscopic models are not capable of handling the vast number of transitions involved. The average atom (AA) model, on the other hand, accounts for all relevant transitions, but in an oversimplified fashion that ignores all spectral structure. The Super Transition Array (STA) model, which has been developed in recent years, combines the simplicity and comprehensiveness of the AA model with the accuracy of detailed term accounting. The resolvable structure of spectral clusters is revealed by successively increasing the number of distinct STA's, until convergence is attained. The limit of this procedure is a detailed unresolved transition array (UTA) spectrum, with a term-broadened line for each accessible configuration-to-configuration transition, weighted by the relevant Boltzman population. In practice, this UTA spectrum is actually obtained using only a few thousand to tens of thousands of STA's (as opposed, typically, to billions of UTAs). The central result of STA theory is a set of formulas for the moments (total intensity, average transition energy, variance) of an STA. In calculating the moments, detailed relativistic first order quantum transition energies and probabilities are used. The energy appearing in the Boltzman factor associated with each level in a superconfiguration is the zero order result corrected by a superconfiguration averaged first order correction. Examples and application to recent measurements are presented
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
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.
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.
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.
Provencher, Louis; Frid, Leonardo; Czembor, Christina; Morisette, Jeffrey T.
2016-01-01
State-and-Transition Simulation Modeling (STSM) is a quantitative analysis method that can consolidate a wide array of resource management issues under a “what-if” scenario exercise. STSM can be seen as an ensemble of models, such as climate models, ecological models, and economic models that incorporate human dimensions and management options. This chapter presents STSM as a tool to help synthesize information on social–ecological systems and to investigate some of the management issues associated with exotic annual Bromus species, which have been described elsewhere in this book. Definitions, terminology, and perspectives on conceptual and computer-simulated stochastic state-and-transition models are given first, followed by a brief review of past STSM studies relevant to the management of Bromus species. A detailed case study illustrates the usefulness of STSM for land management. As a whole, this chapter is intended to demonstrate how STSM can help both managers and scientists: (a) determine efficient resource allocation for monitoring nonnative grasses; (b) evaluate sources of uncertainty in model simulation results involving expert opinion, and their consequences for management decisions; and (c) provide insight into the consequences of predicted local climate change effects on ecological systems invaded by exotic annual Bromus species.
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.
Miller, Brian W.; Frid, Leonardo; Chang, Tony; Piekielek, N. B.; Hansen, Andrew J.; Morisette, Jeffrey T.
2015-01-01
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.
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
Monte Carlo Simulation of Phase Transitions
村井, 信行; N., MURAI; 中京大学教養部
1983-01-01
In the Monte Carlo simulation of phase transition, a simple heat bath method is applied to the classical Heisenberg model in two dimensions. It reproduces the correlation length predicted by the Monte Carlo renor-malization group and also computed in the non-linear σ model
1982-07-01
In order to examine specific automated guideway transit (AGT) developments and concepts, UMTA undertook a program of studies and technology investigations called Automated Guideway Transit Technology (AGTT) Program. The objectives of one segment of t...
International Nuclear Information System (INIS)
Faccanoni, Gloria; Kokh, Samuel; Allaire, Gregoire
2012-01-01
In the present work we investigate the numerical simulation of liquid-vapor phase change in compressible flows. Each phase is modeled as a compressible fluid equipped with its own equation of state (EOS). We suppose that inter-phase equilibrium processes in the medium operate at a short time-scale compared to the other physical phenomena such as convection or thermal diffusion. This assumption provides an implicit definition of an equilibrium EOS for the two-phase medium. Within this framework, mass transfer is the result of local and instantaneous equilibria between both phases. The overall model is strictly hyperbolic. We examine properties of the equilibrium EOS and we propose a discretization strategy based on a finite-volume relaxation method. This method allows to cope with the implicit definition of the equilibrium EOS, even when the model involves complex EOS's for the pure phases. We present two-dimensional numerical simulations that shows that the model is able to reproduce mechanism such as phase disappearance and nucleation. (authors)
Lock, S. S. M.; Lau, K. K.; Lock Sow Mei, Irene; Shariff, A. M.; Yeong, Y. F.; Bustam, A. M.
2017-08-01
A sequence of molecular modelling procedure has been proposed to simulate experimentally validated membrane structure characterizing the effect of CO2 plasticization, whereby it can be subsequently employed to elucidate the depression in glass transition temperature (Tg ). Based on the above motivation, unswollen and swollen Polysulfone membrane structures with different CO2 loadings have been constructed, whereby the accuracy has been validated through good compliance with experimentally measured physical properties. It is found that the presence of CO2 constitutes to enhancement in polymeric chain relaxation, which consequently promotes the enlargement of molecular spacing and causes dilation in the membrane matrix. A series of glass transition temperature treatment has been conducted on the verified molecular structure to elucidate the effect of CO2 loadings to the depression in Tg induced by plasticization. Subsequently, a modified Michealis-Menten (M-M) function has been implemented to quantify the effect of CO2 loading attributed to plasticization towards Tg .
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
Main ring transition crossing simulations
International Nuclear Information System (INIS)
Kourbanis, I.; Ng, King-Yuen.
1990-10-01
We used ESME to simulate transition crossing in the Main Ring (MR). For the simulations, we followed the MR 29 cycle used currently for bar p production with a flat top of 120 GeV. In Sect. II, some inputs are discussed. In Sect. III, we present simulations with space charge turned off so that the effect of nonlinearity can be studied independently. When space charge is turned on in Sect. IV, we are faced with the problem of statistical errors due to binning, an analysis of which is given in the Appendices. Finally in Sects. V and VI, the results of simulations with space charge are presented and compared with the experimental measurements. 7 refs., 6 figs
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
Transitive probabilistic CLIR models.
Kraaij, W.; de Jong, Franciska M.G.
2004-01-01
Transitive translation could be a useful technique to enlarge the number of supported language pairs for a cross-language information retrieval (CLIR) system in a cost-effective manner. The paper describes several setups for transitive translation based on probabilistic translation models. The
Jessica E. Halofsky; Stephanie K. Hart; Miles A. Hemstrom; Joshua S. Halofsky; Morris C. Johnson
2014-01-01
Information on the effects of management activities such as fuel reduction treatments and of processes such as vegetation growth and disturbance on fire hazard can help land managers prioritize treatments across a landscape to best meet management goals. State-and-transition models (STMs) allow landscape-scale simulations that incorporate effects of succession,...
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.
Lee, J.; Zhang, Y.; Klein, S. A.
2017-12-01
The triggering of the land breeze, and hence the development of deep convection over heterogeneous land should be understood as a consequence of the complex processes involving various factors from land surface and atmosphere simultaneously. That is a sub-grid scale process that many large-scale models have difficulty incorporating it into the parameterization scheme partly due to lack of our understanding. Thus, it is imperative that we approach the problem using a high-resolution modeling framework. In this study, we use SAM-SLM (Lee and Khairoutdinov, 2015), a large-eddy simulation model coupled to a land model, to explore the cloud effect such as cold pool, the cloud shading and the soil moisture memory on the land breeze structure and the further development of cloud and precipitation over a heterogeneous land surface. The atmospheric large scale forcing and the initial sounding are taken from the new composite case study of the fair-weather, non-precipitating shallow cumuli at ARM SGP (Zhang et al., 2017). We model the land surface as a chess board pattern with alternating leaf area index (LAI). The patch contrast of the LAI is adjusted to encompass the weak to strong heterogeneity amplitude. The surface sensible- and latent heat fluxes are computed according to the given LAI representing the differential surface heating over a heterogeneous land surface. Separate from the surface forcing imposed from the originally modeled surface, the cases that transition into the moist convection can induce another layer of the surface heterogeneity from the 1) radiation shading by clouds, 2) adjusted soil moisture pattern by the rain, 3) spreading cold pool. First, we assess and quantifies the individual cloud effect on the land breeze and the moist convection under the weak wind to simplify the feedback processes. And then, the same set of experiments is repeated under sheared background wind with low level jet, a typical summer time wind pattern at ARM SGP site, to
International Nuclear Information System (INIS)
Wang, Dong; Ni, Yan; Gao, Jinghui; Zhang, Zhen; Ren, Xiaobing; Wang, Yunzhi
2013-01-01
Highlights: ► We model the unique properties of strain glass which is different from that of normal martensite. ► We describe the importance of point defects in the formation of strain glass and related properties. ► The role of point defect can be attributed to global transition temperature effect (GTTE) and local field effect (LFE). -- Abstract: The transition behavior and unique properties associated with normal martensitic transition and strain glass transition are investigated by computer simulations using the phase field method. The simulations are based on a physical model that assumes that point defects alter the thermodynamic stability of martensite and create local lattice distortion. The simulation results show that strain glass transition exhibits different properties from those found in normal martensitic transformations. These unique properties include diffuse scattering pattern, “smear” elastic modulus peak, disappearance of heat flow peak and non-ergodicity. These simulation predictions agree well with the experimental observations
Numerical Simulations of Hypersonic Boundary Layer Transition
Bartkowicz, Matthew David
Numerical schemes for supersonic flows tend to use large amounts of artificial viscosity for stability. This tends to damp out the small scale structures in the flow. Recently some low-dissipation methods have been proposed which selectively eliminate the artificial viscosity in regions which do not require it. This work builds upon the low-dissipation method of Subbareddy and Candler which uses the flux vector splitting method of Steger and Warming but identifies the dissipation portion to eliminate it. Computing accurate fluxes typically relies on large grid stencils or coupled linear systems that become computationally expensive to solve. Unstructured grids allow for CFD solutions to be obtained on complex geometries, unfortunately, it then becomes difficult to create a large stencil or the coupled linear system. Accurate solutions require grids that quickly become too large to be feasible. In this thesis a method is proposed to obtain more accurate solutions using relatively local data, making it suitable for unstructured grids composed of hexahedral elements. Fluxes are reconstructed using local gradients to extend the range of data used. The method is then validated on several test problems. Simulations of boundary layer transition are then performed. An elliptic cone at Mach 8 is simulated based on an experiment at the Princeton Gasdynamics Laboratory. A simulated acoustic noise boundary condition is imposed to model the noisy conditions of the wind tunnel and the transitioning boundary layer observed. A computation of an isolated roughness element is done based on an experiment in Purdue's Mach 6 quiet wind tunnel. The mechanism for transition is identified as an instability in the upstream separation region and a comparison is made to experimental data. In the CFD a fully turbulent boundary layer is observed downstream.
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.
International Nuclear Information System (INIS)
Jafri, Y.Z.; Kamal, L.
2009-01-01
A generalized theory of ARMA modeling, covering a wide range of researches. with model identification, order determination, estimation and diagnostic checking is presented. We evolved standardization of wind data to overcome non-stationarity. With our techniques on generating synthetic values of wind series using MTM, we modeled and simulated autocorrelated function (ACF). MTM is found relatively a better simulator as compared to ARMA. We used twenty year of wind data. MTM required fast computation and suitable algorithm for backward calculations to yield ACF values. We found ARMA (p, q) model suitableble for both large range (1-6 hours) and short range (1-2 hours). This indicates that forecast values can be considered for appropriate wind energy conversion system. (author)
Voigt, A.; Marotzke, J.
2007-12-01
Recently, Marotzke and Botzet (2007) have shown that in a comprehensive climate model both the current climate and a completely ice-covered Earth are stable states under today's total solar irradiance (TSI) and greenhouse gas concentrations. By setting TSI to near-zero they were able to cause a transition from the present-day climate to the ice-covered state within 15 years [1]. In order to study the bifurcation point, we have repeated this experiment with the same model, i.e. the Max Planck Institute for Meteorology coupled atmosphere-ocean general circulation model ECHAM5/MPI-OM, at lower resolution (horizontally T31 in the atmosphere and 3.0 degrees in the ocean). We give estimates for the critical values of TSI and greenhouse gas concentrations needed to trigger the transition from the present-day to the ice- covered state. Starting from today's climate and setting TSI to 44% of today's value leads to a glaciation within 30 years. Furthermore, we investigate the degree of oceanic ice-cover needed for an unstoppable glaciation. We find that only an almost completely ice-covered ocean guarantees that the model does not return to the present-day climate when TSI is reset to its today's value. Our results indicate that a snowball Earth could, in principle, be triggered by a brief decrease of TSI. [1] Marotzke, J. and M. Botzet (2007), Present-day and ice-covered equilibrium states in a comprehensive climate model, Geophys. Res. Lett., Vol. 34, No. 16, L16704, doi:10.1029/2006GL028880
Froger, A.
2004-07-01
The standard models in use to simulate the reactive detonation wave propagation are not accurate in computing the transient evolutions because they focus on the shock front, not on the reaction zone where the coupling of thermodynamic and mechanic effects occurs. The model we propose is based on a new thermodynamic description of the constituents in the reaction zone, and on the use of the enthalpy balance of the chemical reaction as the energetic parameter instead of the heat of reaction. The enthalpy balance of the reaction results from the enthalpies of formation of all the chemical species involved in the reaction and is, therefore, a physical constant. The model is based on four basic assumptions: -1) the reaction zone is anevolving intimate mixture of non-reacted material and detonation products, -2) the energy released by thereaction is inherent to the detonation products alone, -3) the two constituents have the same pressure but different temperatures, -4) the specific energy released is not a constant but is related to the enthalpy balance and depends on the thermodynamic state. The model only needs the physical properties of the materials (equations of state of the constituents, chemical reaction and initiation delay), not the CJ state nor any other sub-model. When coupled with the Euler equations this thermodynamic description of the reaction zone permits us to simulate the transient evolution of an emerging detonation for any geometry (2D or 3D) or confinement structure.
Numerical Simulation of Roughness Induced Boundary Layer Transition
2016-03-30
13] and Fu Song [14] etc. In 2004, Langtry and Menter [15] developed an γ-Reθ four-equation transition model, which has satisfactory accuracy on...of Mechanical Engineers, 2004: 105-118. 6 . LI Benwei, LI Dong , SHEN Wei, et al., “Research on Turbine Lamina Roughness Influence on Its Performance...point RANS Approach”, Journal of Turbomachinery, 2004, 126(1):193-202. 14. FU Song , WANG Liang. “Simulation of Hypersonic Boundary-Layer Transition
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
Modeling Metropolitan Detroit transit.
2010-10-01
"The seven-county Southeast Michigan region, that encompasses the Detroit Metropolitan Area, : ranks fifth in population among top 25 regions in the nation. It also ranks among bottom five in : the transit service provided, measured in miles or hours...
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
Takahashi, Takehiro; Schibuya, Noboru
The EMC simulation is now widely used in design stage of electronic equipment to reduce electromagnetic noise. As the calculated electromagnetic behaviors of the EMC simulator depends on the inputted EMC model of the equipment, the modeling technique is important to obtain effective results. In this paper, simple outline of the EMC simulator and EMC model are described. Some modeling techniques of EMC simulation are also described with an example of the EMC model which is shield box with aperture.
Thresholds models of technological transitions
Zeppini, P.; Frenken, K.; Kupers, R.
2014-01-01
We present a systematic review of seven threshold models of technological transitions from physics, biology, economics and sociology. The very same phenomenon of a technological transition can be explained by very different logics, ranging from economic explanations based on price, performance and
Vacuum transitions in dual models
International Nuclear Information System (INIS)
Pashnev, A.I.; Volkov, D.V.; Zheltukhin, A.A.
1976-01-01
The investigation is continued of the spontaneous vacuum transition problem in the Neview-Schwartz dual model (NSDM). It is shown that vacuum transitions allow disclosing of supplementary degeneration in the resonance state spectrum. The dual amplitudes possess an internal structure corresponding to the presence of an infinite number of quarks with increasing masses and retained charges. The Adler principle holds. Analytic continuation on the constant of induced vacuum transitions makes it possible to establish the existence of spontaneous vacuum transitions in the NSDM. The consequence of this fact is the exact SU(2) symmetry of π, rho meson trajectories and the Higgs mechanism in the model. In this case the ratios of masses of particles leading trajectories are analogous to those obtained in the current algebra. It is shown that in the NSDM there arises chiral SU(2) x SU(2) x U(1) x U(1) x ... symmetry resulting from spontaneous vacuum transitions
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.
Transition Models with Measurement Errors
Magnac, Thierry; Visser, Michael
1999-01-01
In this paper, we estimate a transition model that allows for measurement errors in the data. The measurement errors arise because the survey design is partly retrospective, so that individuals sometimes forget or misclassify their past labor market transitions. The observed data are adjusted for errors via a measurement-error mechanism. The parameters of the distribution of the true data, and those of the measurement-error mechanism are estimated by a two-stage method. The results, based on ...
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
Simulation in Complex Modelling
DEFF Research Database (Denmark)
Nicholas, Paul; Ramsgaard Thomsen, Mette; Tamke, Martin
2017-01-01
This paper will discuss the role of simulation in extended architectural design modelling. As a framing paper, the aim is to present and discuss the role of integrated design simulation and feedback between design and simulation in a series of projects under the Complex Modelling framework. Complex...... Restraint developed for the research exhibition Complex Modelling, Meldahls Smedie Gallery, Copenhagen in 2016. Where the direct project aims and outcomes have been reported elsewhere, the aim for this paper is to discuss overarching strategies for working with design integrated simulation....
Phase transition in tensor models
Energy Technology Data Exchange (ETDEWEB)
Delepouve, Thibault [Laboratoire de Physique Théorique, CNRS UMR 8627, Université Paris Sud,91405 Orsay Cedex (France); Centre de Physique Théorique, CNRS UMR 7644, École Polytechnique,91128 Palaiseau Cedex (France); Gurau, Razvan [Centre de Physique Théorique, CNRS UMR 7644, École Polytechnique,91128 Palaiseau Cedex (France); Perimeter Institute for Theoretical Physics,31 Caroline St. N, N2L 2Y5, Waterloo, ON (Canada)
2015-06-25
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.
Simulation in Complex Modelling
DEFF Research Database (Denmark)
Nicholas, Paul; Ramsgaard Thomsen, Mette; Tamke, Martin
2017-01-01
This paper will discuss the role of simulation in extended architectural design modelling. As a framing paper, the aim is to present and discuss the role of integrated design simulation and feedback between design and simulation in a series of projects under the Complex Modelling framework. Complex...... performance, engage with high degrees of interdependency and allow the emergence of design agency and feedback between the multiple scales of architectural construction. This paper presents examples for integrated design simulation from a series of projects including Lace Wall, A Bridge Too Far and Inflated...... Restraint developed for the research exhibition Complex Modelling, Meldahls Smedie Gallery, Copenhagen in 2016. Where the direct project aims and outcomes have been reported elsewhere, the aim for this paper is to discuss overarching strategies for working with design integrated simulation....
Scientific Modeling and simulations
Diaz de la Rubia, Tomás
2009-01-01
Showcases the conceptual advantages of modeling which, coupled with the unprecedented computing power through simulations, allow scientists to tackle the formibable problems of our society, such as the search for hydrocarbons, understanding the structure of a virus, or the intersection between simulations and real data in extreme environments
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
Automated Simulation Model Generation
Huang, Y.
2013-01-01
One of today's challenges in the field of modeling and simulation is to model increasingly larger and more complex systems. Complex models take long to develop and incur high costs. With the advances in data collection technologies and more popular use of computer-aided systems, more data has become
AEGIS geologic simulation model
International Nuclear Information System (INIS)
Foley, M.G.
1982-01-01
The Geologic Simulation Model (GSM) is used by the AEGIS (Assessment of Effectiveness of Geologic Isolation Systems) program at the Pacific Northwest Laboratory to simulate the dynamic geology and hydrology of a geologic nuclear waste repository site over a million-year period following repository closure. The GSM helps to organize geologic/hydrologic data; to focus attention on active natural processes by requiring their simulation; and, through interactive simulation and calibration, to reduce subjective evaluations of the geologic system. During each computer run, the GSM produces a million-year geologic history that is possible for the region and the repository site. In addition, the GSM records in permanent history files everything that occurred during that time span. Statistical analyses of data in the history files of several hundred simulations are used to classify typical evolutionary paths, to establish the probabilities associated with deviations from the typical paths, and to determine which types of perturbations of the geologic/hydrologic system, if any, are most likely to occur. These simulations will be evaluated by geologists familiar with the repository region to determine validity of the results. Perturbed systems that are determined to be the most realistic, within whatever probability limits are established, will be used for the analyses that involve radionuclide transport and dose models. The GSM is designed to be continuously refined and updated. Simulation models are site specific, and, although the submodels may have limited general applicability, the input data equirements necessitate detailed characterization of each site before application
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
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...
Efficient numerical simulation of the deflagration-to-detonation transition
International Nuclear Information System (INIS)
Ettner, Florian Anton
2013-01-01
In order to improve safety analyses of nuclear power plants, it is necessary to investigate if hydrogen-air mixtures (created in severe accidents) burn in a deflagrative manner or whether a deflagration-to-detonation transition (DDT) occurs. In this work a CFD solver has been developed for the simulation of a complete combustion process including DDT. The density-based solver incorporates a deflagration model and an auto-ignition model which are coupled via a progress variable. The application to both homogeneous and inhomogeneous mixtures shows very good agreement with experiments. Depending on the boundary conditions the presence of a hydrogen concentration gradient can either increase or decrease the probability of DDT when compared to a homogeneous mixture. Under certain circumstances extremely high pressure loads occur even in areas of low hydrogen content. This should be taken into consideration in future safety analyses.
Modelling societal transitions with agent transformation
M.P. Schilperoord (Michel); J. Rotmans (Jan); N. Bergman (Noam)
2008-01-01
textabstractTransition models explain long-term and large-scale processes fundamentally changing the structure of a societal system. Our concern is that most transition models are too static. Although they capture a move of focus from static equilibria to transitions between dynamic equilibria, they
Beck, V.; Gerbig, C.; Koch, T.; Bela, M. M.; Longo, K. M.; Freitas, S. R.; Kaplan, J. O.; Prigent, C.; Bergamaschi, P.; Heimann, M.
2013-01-01
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 ...
PSH Transient Simulation Modeling
Energy Technology Data Exchange (ETDEWEB)
Muljadi, Eduard [National Renewable Energy Laboratory (NREL), Golden, CO (United States)
2017-12-21
PSH Transient Simulation Modeling presentation from the WPTO FY14 - FY16 Peer Review. Transient effects are an important consideration when designing a PSH system, yet numerical techniques for hydraulic transient analysis still need improvements for adjustable-speed (AS) reversible pump-turbine applications.
DEFF Research Database (Denmark)
Larsen, Gunner Chr.; Madsen Aagaard, Helge; Larsen, Torben J.
We present a consistent, physically based theory for the wake meandering phenomenon, which we consider of crucial importance for the overall description of wind turbine loadings in wind farms. In its present version the model is confined to single wake situations. The model philosophy does, howev...... 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...
Comparison of approximations to the transition rate in the DDHMS preequilibrium model
Directory of Open Access Journals (Sweden)
Brito L.
2014-04-01
Full Text Available 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.
Quantum-based Atomistic Simulation of Transition Metals
International Nuclear Information System (INIS)
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
2005-01-01
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
Bemani, F.; Roknizadeh, R.; Naderi, M. H.
2018-01-01
We present a theoretical scheme to simulate quantum field theory in a discrete curved spacetime based on the Bose-Hubbard model describing a Bose-Einstein condensate trapped inside an optical lattice. Using the Bose-Hubbard Hamiltonian, we first introduce a hydrodynamic presentation of the system evolution in discrete space. We then show that the phase (density) fluctuations of the trapped bosons inside an optical lattice in the superfluid (Mott insulator) state obey the Klein-Gordon equation for a massless scalar field propagating in a discrete curved spacetime. We derive the effective metrics associated with the superfluid and Mott-insulator phases and, in particular, we find that in the superfluid phase the metric exhibits a singularity which can be considered as the manifestation of an analog acoustic black hole. The proposed approach is found to provide a suitable platform for quantum simulation of various spacetime metrics through adjusting the system parameters.
The transition probabilities of the reciprocity model
Snijders, T.A.B.
1999-01-01
The reciprocity model is a continuous-time Markov chain model used for modeling longitudinal network data. A new explicit expression is derived for its transition probability matrix. This expression can be checked relatively easily. Some properties of the transition probabilities are given, as well
Selroos, J. O.; Appleyard, P.; Bym, T.; Follin, S.; Hartley, L.; Joyce, S.; Munier, R.
2015-12-01
In 2011 the Swedish Nuclear Fuel and Waste Management Company (SKB) applied for a license to start construction of a final repository for spent nuclear fuel at Forsmark in Northern Uppland, Sweden. The repository is to be built at approximately 500 m depth in crystalline rock. A stochastic, discrete fracture network (DFN) concept was chosen for interpreting the surface-based (incl. boreholes) data, and for assessing the safety of the repository in terms of groundwater flow and flow pathways to and from the repository. Once repository construction starts, also underground data such as tunnel pilot borehole and tunnel trace data will become available. It is deemed crucial that DFN models developed at this stage honors the mapped structures both in terms of location and geometry, and in terms of flow characteristics. The originally fully stochastic models will thus increase determinism towards the repository. Applying the adopted probabilistic framework, predictive modeling to support acceptance criteria for layout and disposal can be performed with the goal of minimizing risks associated with the repository. This presentation describes and illustrates various methodologies that have been developed to condition stochastic realizations of fracture networks around underground openings using borehole and tunnel trace data, as well as using hydraulic measurements of inflows or hydraulic interference tests. The methodologies, implemented in the numerical simulators ConnectFlow and FracMan/MAFIC, are described in some detail, and verification tests and realistic example cases are shown. Specifically, geometric and hydraulic data are obtained from numerical synthetic realities approximating Forsmark conditions, and are used to test the constraining power of the developed methodologies by conditioning unconditional DFN simulations following the same underlying fracture network statistics. Various metrics are developed to assess how well the conditional simulations compare to
Direct Numerical Simulation of a Plane Transitional Wall Jet
Ramesh, O.; Varghese, Joel
2017-11-01
A transitional plane wall jet is studied using direct numerical simulation. The presence of an inflectional point leads to the outer layer rolling up into vortices that interacts with the inner region resulting in a double array of counter rotating vortices before breakdown into turbulence. Past studies have focused on forced wall jet which results in shorter transition region and prominent vortical structures. In the present work, natural transition will be discussed by analysing the coherent structures and scaled frequency spectra. Clear hairpin like structures leaning downstream in the inner region(as in a boundary layer) and leaning upstream in the outerstream (as in a jet) are evident.
Simulation - modeling - experiment
International Nuclear Information System (INIS)
2004-01-01
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
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.
Beck, V.; Gerbig, C.; Koch, T.; Bela, M. M.; Longo, K. M.; Freitas, S. R.; Kaplan, J. O.; Prigent, C.; Bergamaschi, P.; Heimann, M.
2013-08-01
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.
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
leaving students. It is a probabilistic model. In the next part of this article, two more models - 'input/output model' used for production systems or economic studies and a. 'discrete event simulation model' are introduced. Aircraft Performance Model.
Modelling transitions in urban water systems.
Rauch, W; Urich, C; Bach, P M; Rogers, B C; de Haan, F J; Brown, R R; Mair, M; McCarthy, D T; Kleidorfer, M; Sitzenfrei, R; Deletic, A
2017-12-01
Long term planning of urban water infrastructure requires acknowledgement that transitions in the water system are driven by changes in the urban environment, as well as societal dynamics. Inherent to the complexity of these underlying processes is that the dynamics of a system's evolution cannot be explained by linear cause-effect relationships and cannot be predicted under narrow sets of assumptions. Planning therefore needs to consider the functional behaviour and performance of integrated flexible infrastructure systems under a wide range of future conditions. This paper presents the first step towards a new generation of integrated planning tools that take such an exploratory planning approach. The spatially explicit model, denoted DAnCE4Water, integrates urban development patterns, water infrastructure changes and the dynamics of socio-institutional changes. While the individual components of the DAnCE4Water model (i.e. modules for simulation of urban development, societal dynamics and evolution/performance of water infrastructure) have been developed elsewhere, this paper presents their integration into a single model. We explain the modelling framework of DAnCE4Water, its potential utility and its software implementation. The integrated model is validated for the case study of an urban catchment located in Melbourne, Australia. Copyright © 2017 Elsevier Ltd. All rights reserved.
Improved transition models for cepstral trajectories
CSIR Research Space (South Africa)
Badenhorst, J
2012-11-01
Full Text Available is ideal for the investigation of contextual effects on cepstral trajectories. We show that modelling improvements, such as continuity constraints on parameter values and more flexible transition models, systematically improve the robustness of our...
A MATLAB GUI to study Ising model phase transition
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.
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...
Wang, Yang; Zhou, Ying; Zuo, Jian; Rameezdeen, Raufdeen
2018-03-09
Particle emissions derived from construction activities have a significant impact on the local air quality, while the canyon effect with reduced natural ventilation contributes to the highest particulate pollution in urban environments. This study attempted to examine the effect of PM 10 emissions derived from the construction of a rail transit system in an urban street canyon. Using a 3D computational fluid dynamic (CFD) model based on a real street canyon with different height ratios, this study formulates the impact of height ratio and wind directions on the dispersion and concentration of PM 10 . The results indicate that parallel flow would cause the concentration of PM 10 at the end of the street canyons in all height ratios, and the trends in horizontal, vertical and lateral planes in all street canyons are similar. While in the condition of perpendicular flow, double-eddy circulations occur and lead to the concentration of PM 10 in the middle part of the street canyon and leeward of backwind buildings in all height ratios. Furthermore, perpendicular flow will cause the concentration of PM 10 to increase if the upwind buildings are higher than the backwind ones. This study also shows that the dispersion of PM 10 is strongly associated with wind direction in and the height ratios of the street canyons. Certain measures could, therefore, be taken to prevent the impact on people in terms of the PM 10 concentration and the heights of street canyons identified in this research. Potential mitigation strategies are suggested, include measurements below 4 m according to governmental regulations, dust shields, and atomized water.
Directory of Open Access Journals (Sweden)
Yang Wang
2018-03-01
Full Text Available Particle emissions derived from construction activities have a significant impact on the local air quality, while the canyon effect with reduced natural ventilation contributes to the highest particulate pollution in urban environments. This study attempted to examine the effect of PM10 emissions derived from the construction of a rail transit system in an urban street canyon. Using a 3D computational fluid dynamic (CFD model based on a real street canyon with different height ratios, this study formulates the impact of height ratio and wind directions on the dispersion and concentration of PM10. The results indicate that parallel flow would cause the concentration of PM10 at the end of the street canyons in all height ratios, and the trends in horizontal, vertical and lateral planes in all street canyons are similar. While in the condition of perpendicular flow, double-eddy circulations occur and lead to the concentration of PM10 in the middle part of the street canyon and leeward of backwind buildings in all height ratios. Furthermore, perpendicular flow will cause the concentration of PM10 to increase if the upwind buildings are higher than the backwind ones. This study also shows that the dispersion of PM10 is strongly associated with wind direction in and the height ratios of the street canyons. Certain measures could, therefore, be taken to prevent the impact on people in terms of the PM10 concentration and the heights of street canyons identified in this research. Potential mitigation strategies are suggested, include measurements below 4 m according to governmental regulations, dust shields, and atomized water.
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...... is useful for both management and labor in regulating transition processes, thus making a contribution to industrial relations....
DEFF Research Database (Denmark)
von Essen, C.; Cellone, S.; Mallonn, M.
2016-01-01
The transit timing variation technique (TTV) has been widely used to detect and characterize multiple planetary systems. Due to the observational biases imposed mainly by the photometric conditions and instrumentation and the high signal-to-noise required to produce primary transit observations...... the observing time at hand carrying out such follow-ups, or if the use of medium-to-low quality transit light curves, combined with current standard techniques of data analysis, could be playing a main role against exoplanetary search via TTVs. The purpose of this work is to investigate to what extent ground......-based observations treated with current modelling techniques are reliable to detect and characterize additional planets in already known planetary systems. To meet this goal, we simulated typical primary transit observations of a hot Jupiter mimicing an existing system, Qatar-1. To resemble ground-based observations...
Effects of transition on wind tunnel simulation of vehicel dynamics
Ericsson, L. E.
Among the many problems the test engineer faces when trying to simulate full-scale vehicle dynamics in a wind tunnel test is the fact that the test usually will be performed at Reynolds numbers far below those existing on the full-scale vehicle. It is found that a severe scaling problem may exist even in the case of attached flow. The strong coupling existing between boundary layer transition and vehicle motion can cause the wind tunnel results to be very misleading, in some cases dangerously so. For example, the subscale test could fail to show a dynamic stability problem existing in full-scale flight, or, conversely, show one that does not exist. When flow separation occurs together with boundary layer transition, the scaling problem becomes more complicated, and the potential for dangerously misleading subscale test results increases. The existing literature is reviewed to provide examples of the different types of dynamic simulation problems that the test engineer is likely to face. It should be emphasized that the difficulties presented by transition effects in the case of wind tunnel simulation of vehicle dynamics apply to the same extent to numeric simulation methods.
On simulated annealing phase transitions in phylogeny reconstruction.
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. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.
Phase transition in the hadron gas model
International Nuclear Information System (INIS)
Gorenstein, M.I.; Petrov, V.K.; Zinov'ev, G.M.
1981-01-01
A class of statistical models of hadron gas allowing an analytical solution is considered. A mechanism of a possible phase transition in such a system is found and conditions for its occurence are determined [ru
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.
Interplanetary Transit Simulations Using the International Space Station
Charles, John B.; Arya, M.; Kundrot, C. E.
2010-01-01
We evaluated the space life sciences utility of the International Space Station (ISS) to simulate the outbound transit portion of missions to Mars and Near Earth Asteroids (NEA) to investigate biomedical and psychological aspects of such transits, to develop and test space operation procedures compatible with communication delays and outages, and to demonstrate and validate technologies and countermeasures. Two major categories of space life sciences activities can capitalize on ISS capabilities. The first includes studies that require ISS (or a comparable facility), typically for access to prolonged weightlessness. The second includes studies that do not strictly require ISS but can exploit it to maximize their scientific return more efficiently and productively than in ground-based simulations. For these studies, ISS offers a high fidelity analog for fundamental factors on future missions, such as crew composition, mission control personnel, operational tasks and workload, real-world risk, and isolation, and can mimic the effects of distance and limited accessibility. In addition to conducting Mars- and NEA-transit simulations on 6-month ISS increments, extending the current ISS increment duration from 6 months to 9 or even 12 months will provide opportunities for enhanced and focused research relevant to long duration Mars and NEA missions. Increasing the crew duration may pose little additional risk to crewmembers beyond that currently accepted on 6-month increments, but additional medical monitoring capabilities will be required beyond those currently used for ISS operations. Finally, while presenting major logistical challenges, such a simulation followed by a post-landing simulation of Mars exploration could provide quantitative evidence of capabilities in an actual mission. Thus, the use of ISS to simulate aspects of Mars and NEA missions seems practical. If it were to be implemented without major disruption of on-going ISS activities, then planning should
Panel Smooth Transition Regression Models
DEFF Research Database (Denmark)
González, Andrés; Terasvirta, Timo; Dijk, Dick van
models to the panel context. The strategy consists of model specification based on homogeneity tests, parameter estimation, and model evaluation, including tests of parameter constancy and no remaining heterogeneity. The model is applied to describing firms' investment decisions in the presence...
Modelling and Simulation: An Overview
McAleer, Michael; Chan, Felix; Oxley, Les
2013-01-01
This discussion paper resulted in a publication in 'Selected Papers of the MSSANZ 19th Biennial Conference on Modelling and Simulation Mathematics and Computers in Simulation', 2013, pp. viii. The 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 born equal: the emp...
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.
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...
Generalized transport model for phase transition with memory
International Nuclear Information System (INIS)
Chen, Chi; Ciucci, Francesco
2013-01-01
A general model for phenomenological transport in phase transition is derived, which extends Jäckle and Frisch model of phase transition with memory and the Cahn–Hilliard model. In addition to including interfacial energy to account for the presence of interfaces, we introduce viscosity and relaxation contributions, which result from incorporating memory effect into the driving potential. Our simulation results show that even without interfacial energy term, the viscous term can lead to transient diffuse interfaces. From the phase transition induced hysteresis, we discover different energy dissipation mechanism for the interfacial energy and the viscosity effect. In addition, by combining viscosity and interfacial energy, we find that if the former dominates, then the concentration difference across the phase boundary is reduced; conversely, if the interfacial energy is greater then this difference is enlarged.
Optimization models in a transition economy
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...
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.
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 operati...
Interval Forecast for Smooth Transition Autoregressive Model ...
African Journals Online (AJOL)
In this paper, we propose a simple method for constructing interval forecast for smooth transition autoregressive (STAR) model. This interval forecast is based on bootstrapping the residual error of the estimated STAR model for each forecast horizon and computing various Akaike information criterion (AIC) function. This new ...
Cognitive models embedded in system simulation models
International Nuclear Information System (INIS)
Siegel, A.I.; Wolf, J.J.
1982-01-01
If we are to discuss and consider cognitive models, we must first come to grips with two questions: (1) What is cognition; (2) What is a model. Presumably, the answers to these questions can provide a basis for defining a cognitive model. Accordingly, this paper first places these two questions into perspective. Then, cognitive models are set within the context of computer simulation models and a number of computer simulations of cognitive processes are described. Finally, pervasive issues are discussed vis-a-vis cognitive modeling in the computer simulation context
A Model of Mental State Transition Network
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.
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
Numerical modeling of the deflagration-to-detonation transition
International Nuclear Information System (INIS)
Forest, C.A.
1978-01-01
The effect of a confined porous bed of burning explosive in contact with a solid explosive is studied by computer simulation. The burning is modeled using a bulk burn model that is a function of the surface area and the pressure. Once pressure excursions occur from the confined burning the transition to detonation is modeled using a pressure-dependent heterogeneous explosive shock decomposition model called Forest Fire. The occurrence of detonation in the solid explosive is shown to be dependent upon the surface-to-volume ratio, the confinement of the porous bed, and the geometry of the system
Observing and Simulating Wind-Turbine Wakes During the Evening Transition
Lee, Joseph C. Y.; Lundquist, Julie K.
2017-09-01
Wind-turbine-wake evolution during the evening transition introduces variability to wind-farm power production at a time of day typically characterized by high electricity demand. During the evening transition, the atmosphere evolves from an unstable to a stable regime, and vertical stratification of the wind profile develops as the residual planetary boundary layer decouples from the surface layer. The evolution of wind-turbine wakes during the evening transition is examined from two perspectives: wake observations from single turbines, and simulations of multiple turbine wakes using the mesoscale Weather Research and Forecasting (WRF) model. Throughout the evening transition, the wake's wind-speed deficit and turbulence enhancement are confined within the rotor layer when the atmospheric stability changes from unstable to stable. The height variations of maximum upwind-downwind differences of wind speed and turbulence intensity gradually decrease during the evening transition. After verifying the WRF-model-simulated upwind wind speed, wind direction and turbulent kinetic energy profiles with observations, the wind-farm-scale wake evolution during the evening transition is investigated using the WRF-model wind-farm parametrization scheme. As the evening progresses, due to the presence of the wind farm, the modelled hub-height wind-speed deficit monotonically increases, the relative turbulence enhancement at hub height grows by 50%, and the downwind surface sensible heat flux increases, reducing surface cooling. Overall, the intensifying wakes from upwind turbines respond to the evolving atmospheric boundary layer during the evening transition, and undermine the power production of downwind turbines in the evening.
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.
Employment, Production and Consumption model: Patterns of phase transitions
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.
Aoun, Bachir; Pellegrini, Eric; Trapp, Marcus; Natali, Francesca; Cantù, Laura; Brocca, Paola; Gerelli, Yuri; Demé, Bruno; Marek Koza, Michael; Johnson, Mark; Peters, Judith
2016-04-01
Neutron scattering techniques have been employed to investigate 1,2-dimyristoyl-sn -glycero-3-phosphocholine (DMPC) membranes in the form of multilamellar vesicles (MLVs) and deposited, stacked multilamellar-bilayers (MLBs), covering transitions from the gel to the liquid phase. Neutron diffraction was used to characterise the samples in terms of transition temperatures, whereas elastic incoherent neutron scattering (EINS) demonstrates that the dynamics on the sub-macromolecular length-scale and pico- to nano-second time-scale are correlated with the structural transitions through a discontinuity in the observed elastic intensities and the derived mean square displacements. Molecular dynamics simulations have been performed in parallel focussing on the length-, time- and temperature-scales of the neutron experiments. They correctly reproduce the structural features of the main gel-liquid phase transition. Particular emphasis is placed on the dynamical amplitudes derived from experiment and simulations. Two methods are used to analyse the experimental data and mean square displacements. They agree within a factor of 2 irrespective of the probed time-scale, i.e. the instrument utilized. Mean square displacements computed from simulations show a comparable level of agreement with the experimental values, albeit, the best match with the two methods varies for the two instruments. Consequently, experiments and simulations together give a consistent picture of the structural and dynamical aspects of the main lipid transition and provide a basis for future, theoretical modelling of dynamics and phase behaviour in membranes. The need for more detailed analytical models is pointed out by the remaining variation of the dynamical amplitudes derived in two different ways from experiments on the one hand and simulations on the other.
Advanced Simulations of Optical Transition and Diffraction Radiation
AUTHOR|(CDS)2078350; Bobb, Lorraine Marie; Bolzon, B; Bravin, Enrico; Karataev, Pavel; Kruchinin, Konstantin; Lefevre, Thibaut; Mazzoni, Stefano
2015-01-01
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.
2016-01-01
In this study, we use existing modeling tools and data from the San Francisco Bay Area : (California) to understand the potential market demand for a first mile transit access service : and possible reductions in vehicle miles traveled (VMT) (a...
Simulation model for port shunting yards
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.
Advances in NLTE modeling for integrated simulations
Scott, H. A.; Hansen, S. B.
2010-01-01
The last few years have seen significant progress in constructing the atomic models required for non-local thermodynamic equilibrium (NLTE) simulations. Along with this has come an increased understanding of the requirements for accurately modeling the ionization balance, energy content and radiative properties of different atomic species for a wide range of densities and temperatures. Much of this progress is the result of a series of workshops dedicated to comparing the results from different codes and computational approaches applied to a series of test problems. The results of these workshops emphasized the importance of atomic model completeness, especially in doubly-excited states and autoionization transitions, to calculating ionization balance, and the importance of accurate, detailed atomic data to producing reliable spectra. We describe a simple screened-hydrogenic model that calculates NLTE ionization balance with sufficient accuracy, at a low enough computational cost for routine use in radiation-hydrodynamics codes. The model incorporates term splitting, Δ n = 0 transitions, and approximate UTA widths for spectral calculations, with results comparable to those of much more detailed codes. Simulations done with this model have been increasingly successful at matching experimental data for laser-driven systems and hohlraums. Accurate and efficient atomic models are just one requirement for integrated NLTE simulations. Coupling the atomic kinetics to hydrodynamics and radiation transport constrains both discretizations and algorithms to retain energy conservation, accuracy and stability. In particular, the strong coupling between radiation and populations can require either very short time steps or significantly modified radiation transport algorithms to account for NLTE material response. Considerations such as these continue to provide challenges for NLTE simulations.
Advances in NLTE Modeling for Integrated Simulations
International Nuclear Information System (INIS)
Scott, H.A.; Hansen, S.B.
2009-01-01
The last few years have seen significant progress in constructing the atomic models required for non-local thermodynamic equilibrium (NLTE) simulations. Along with this has come an increased understanding of the requirements for accurately modeling the ionization balance, energy content and radiative properties of different elements for a wide range of densities and temperatures. Much of this progress is the result of a series of workshops dedicated to comparing the results from different codes and computational approaches applied to a series of test problems. The results of these workshops emphasized the importance of atomic model completeness, especially in doubly excited states and autoionization transitions, to calculating ionization balance, and the importance of accurate, detailed atomic data to producing reliable spectra. We describe a simple screened-hydrogenic model that calculates NLTE ionization balance with surprising accuracy, at a low enough computational cost for routine use in radiation-hydrodynamics codes. The model incorporates term splitting, Δn = 0 transitions, and approximate UTA widths for spectral calculations, with results comparable to those of much more detailed codes. Simulations done with this model have been increasingly successful at matching experimental data for laser-driven systems and hohlraums. Accurate and efficient atomic models are just one requirement for integrated NLTE simulations. Coupling the atomic kinetics to hydrodynamics and radiation transport constrains both discretizations and algorithms to retain energy conservation, accuracy and stability. In particular, the strong coupling between radiation and populations can require either very short timesteps or significantly modified radiation transport algorithms to account for NLTE material response. Considerations such as these continue to provide challenges for NLTE simulations.
Interplanetary Transit Simulations Using the International Space Station
Charles, J. B.; Arya, Maneesh
2010-01-01
It has been suggested that the International Space Station (ISS) be utilized to simulate the transit portion of long-duration missions to Mars and near-Earth asteroids (NEA). The ISS offers a unique environment for such simulations, providing researchers with a high-fidelity platform to study, enhance, and validate technologies and countermeasures for these long-duration missions. From a space life sciences perspective, two major categories of human research activities have been identified that will harness the various capabilities of the ISS during the proposed simulations. The first category includes studies that require the use of the ISS, typically because of the need for prolonged weightlessness. The ISS is currently the only available platform capable of providing researchers with access to a weightless environment over an extended duration. In addition, the ISS offers high fidelity for other fundamental space environmental factors, such as isolation, distance, and accessibility. The second category includes studies that do not require use of the ISS in the strictest sense, but can exploit its use to maximize their scientific return more efficiently and productively than in ground-based simulations. In addition to conducting Mars and NEA simulations on the ISS, increasing the current increment duration on the ISS from 6 months to a longer duration will provide opportunities for enhanced and focused research relevant to long-duration Mars and NEA missions. Although it is currently believed that increasing the ISS crew increment duration to 9 or even 12 months will pose little additional risk to crewmembers, additional medical monitoring capabilities may be required beyond those currently used for the ISS operations. The use of the ISS to simulate aspects of Mars and NEA missions seems practical, and it is recommended that planning begin soon, in close consultation with all international partners.
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...
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.
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...... values. A directed hypergraph formulation is derived to address railway network sequencing constraints, and an experimental problem sample solved to estimate the magnitude of objective inflation when interaction effects are ignored. The model is used to demonstrate the value of advance scheduling...
Modelling Transition Towards Sustainable Transportation Sector
DEFF Research Database (Denmark)
Dominkovic, Dominik Franjo; Bačeković, I.; Mýrdal, Jón Steinar Garðarsson
2016-01-01
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......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...... 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...
FASTBUS simulation models in VHDL
International Nuclear Information System (INIS)
Appelquist, G.
1992-11-01
Four hardware simulation models implementing the FASTBUS protocol are described. The models are written in the VHDL hardware description language to obtain portability, i.e. without relations to any specific simulator. They include two complete FASTBUS devices, a full-duplex segment interconnect and ancillary logic for the segment. In addition, master and slave models using a high level interface to describe FASTBUS operations, are presented. With these models different configurations of FASTBUS systems can be evaluated and the FASTBUS transactions of new devices can be verified. (au)
A qualitative analysis of bus simulator training on transit incidents : a case study in Florida.
2013-06-01
The purpose of this research was to track and observe three Florida public transit agencies as they incorporated and integrated computer-based transit bus simulators into their existing bus operator training programs. In addition to the three Florida...
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
Most systems involve parameters and variables, which are random variables due to uncertainties. Probabilistic meth- ods are powerful in modelling such systems. In this second part, we describe probabilistic models and Monte Carlo simulation along with 'classical' matrix methods and differ- ential equations as most real ...
Sensitivity Analysis of Simulation Models
Kleijnen, J.P.C.
2009-01-01
This contribution presents an overview of sensitivity analysis of simulation models, including the estimation of gradients. It covers classic designs and their corresponding (meta)models; namely, resolution-III designs including fractional-factorial two-level designs for first-order polynomial
Modelling and Simulation: An Overview
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
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...
Modeling and Simulating Transitions from Authoritarian Rule
1993-01-01
for " lebensraum " and have voiced many of the same sentiments espoused by the Neo-Nazis in Germany. They are not very powerful yet but represent the...talked of the need for " lebensraum " and have voiced many of the same sentiments espoused by the Neo-Nazis in Germany. They are not very powerful yet...departure, the HDF was glad to see them go. Their leaders have talked of the need for " lebensraum " and have voiced many of the same sentiments espoused
Yakub, Eugene; Ronchi, Claudio; Staicu, Dragos
2007-09-07
Results of molecular dynamics (MD) simulation of UO2 in a wide temperature range are presented and discussed. A new approach to the calibration of a partly ionic Busing-Ida-type model is proposed. A potential parameter set is obtained reproducing the experimental density of solid UO2 in a wide range of temperatures. A conventional simulation of the high-temperature stoichiometric UO2 on large MD cells, based on a novel fast method of computation of Coulomb forces, reveals characteristic features of a premelting lambda transition at a temperature near to that experimentally observed (T(lambda)=2670 K). A strong deviation from the Arrhenius behavior of the oxygen self-diffusion coefficient was found in the vicinity of the transition point. Predictions for liquid UO2, based on the same potential parameter set, are in good agreement with existing experimental data and theoretical calculations.
Phase Transitions in a Social Impact Model for Opinion Formation
Bordogna, Clelia M.; Albano, Ezequiel V.
A model for opinion formation in a social group, based on the Theory of Social Impact developed by Latané, is studied by means of numerical simulations. Interactions among the members of the group, as well as with a strong leader competing with the mass media, are considered. The model exhibits first-order transitions between two different states of opinion, which are supported by the leader and the mass media, respectively. The social inertia of the group becomes evident when the opinion of the leader changes periodically. In this case two dynamic states are identified: for long periods of time, the group follows the changes of the leader but, decreasing the period, the opinion of the group remains unchanged. This scenery is suitable for the ocurrence of dynamic phase transitions.
The democracy ochlocracy dictatorship transition in the Sznajd model and in the Ising model
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.
Transition sum rules in the shell model
Lu, Yi; Johnson, Calvin W.
2018-03-01
An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.
Vehicle dynamics modeling and simulation
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.
Modeling and Simulation: An Overview
Michael McAleer; Felix Chan; Les Oxley
2013-01-01
The 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 born equal. The empirical properties of some estimators of long memory, characterising trader manipulation in a limitorder driven market, measuring bias in a term-structure model of commodity prices through the c...
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...
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.
Technology-Enhanced Simulation Improves Trainee Readiness Transitioning to Cardiothoracic Training.
Chan, Patrick G; Schaheen, Lara W; Chan, Ernest G; Cook, Chris C; Luketich, James D; D'Cunha, Jonathan
2018-03-09
Transitioning from medical school and general surgery training to cardiothoracic (CT) surgical training poses unique challenges for trainees and patient care. We hypothesized that participation in technology-enhanced simulation modules that provided early exposure to urgent/emergent CT patient problems would improve cognitive skills and readiness to manage common urgencies/emergencies. Traditional and integrated cardiothoracic residents at our institution participated in a technology-enhanced simulation curriculum. The course comprised of didactics, hands-on simulation, virtual models, and mock oral examinations. Residents also were given a validated pretest and post-test to evaluate knowledge retention and integration. Resident performance was graded using a previously validated objective structured clinical examination. Resident perception of course usefulness and relevance was determined through the completion of a perception survey. This study occurred at the University of Pittsburgh School of Medicine with the Department of Cardiothoracic Surgery. The facility used was the Peter Winter Institute for Simulation, Education and Research. From 2013 to 2015, 25 traditional and integrated cardiothoracic residents participated in these training modules who have completed all portions of the simulation were used for analysis. For our participants, knowledge base significantly increased by 7.9% (pretest = 76.0% vs. post-test = 83.9%, p technology-enhanced course combining didactics, simulation, and real-time assessment, residents demonstrated objective improvements in cognitive skills and readiness in managing CT patients. Resident postcourse feedback indicated enhanced confidence, suggesting increased preparedness transitioning to CT surgery. This has strong implications for improved patient safety during these potentially labile transition periods. Copyright © 2018 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.
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...... eigenfunctions and estimates of the distributions of the corresponding expansion coefficients. The simulation method utilizes the eigenfunction expansion procedure to produce preliminary time histories of the three velocity components simultaneously. As a final step, a spectral shaping procedure is then applied....... 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....
Directory of Open Access Journals (Sweden)
Susie Sykes
2017-11-01
Full Text Available Introduction: The educational needs of the health and social care workforce for delivering effective integrated care are important. This paper reports on the development, pilot and evaluation of an interprofessional simulation course, which aimed to support integrated care models for care transitions for older people from hospital to home. Theory and methods: The course development was informed by a literature review and a scoping exercise with the health and social care workforce. The course ran six times and was attended by health and social care professionals from hospital and community (n = 49. The evaluation aimed to elicit staff perceptions of their learning about care transfers of older people and to explore application of learning into practice and perceived outcomes. The study used a sequential mixed method design with questionnaires completed pre (n = 44 and post (n = 47 course and interviews (n = 9 2–5 months later. Results: Participants evaluated interprofessional simulation as a successful strategy. Post-course, participants identified learning points and at the interviews, similar themes with examples of application in practice were: Understanding individual needs and empathy; Communicating with patients and families; Interprofessional working; Working across settings to achieve effective care transitions. Conclusions and discussion: An interprofessional simulation course successfully brought together health and social care professionals across settings to develop integrated care skills and improve care transitions for older people with complex needs from hospital to home.
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...
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...... to the internal pressure the consequence of the increased volume (i.e. water-/steam space) is an increased wall thickness in the pressure part of the boiler. The stresses introduced in the boiler pressure part as a result of the temperature gradients are proportional to the square of the wall thickness...... 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...
Modeling control in manufacturing simulation
Zee, Durk-Jouke van der; Chick, S.; Sánchez, P.J.; Ferrin, D.; Morrice, D.J.
2003-01-01
A significant shortcoming of traditional simulation languages is the lack of attention paid to the modeling of control structures, i.e., the humans or systems responsible for manufacturing planning and control, their activities and the mutual tuning of their activities. Mostly they are hard coded
Model-independent Exoplanet Transit Spectroscopy
Aronson, Erik; Piskunov, Nikolai
2018-05-01
We propose a new data analysis method for obtaining transmission spectra of exoplanet atmospheres and brightness variation across the stellar disk from transit observations. The new method is capable of recovering exoplanet atmosphere absorption spectra and stellar specific intensities without relying on theoretical models of stars and planets. We simultaneously fit both stellar specific intensity and planetary radius directly to transit light curves. This allows stellar models to be removed from the data analysis. Furthermore, we use a data quality weighted filtering technique to achieve an optimal trade-off between spectral resolution and reconstruction fidelity homogenizing the signal-to-noise ratio across the wavelength range. Such an approach is more efficient than conventional data binning onto a low-resolution wavelength grid. We demonstrate that our analysis is capable of reproducing results achieved by using an explicit quadratic limb-darkening equation and that the filtering technique helps eliminate spurious spectral features in regions with strong telluric absorption. The method is applied to the VLT FORS2 observations of the exoplanets GJ 1214 b and WASP-49 b, and our results are in agreement with previous studies. Comparisons between obtained stellar specific intensity and numerical models indicates that the method is capable of accurately reconstructing the specific intensity. The proposed method enables more robust characterization of exoplanetary atmospheres by separating derivation of planetary transmission and stellar specific intensity spectra (that is model-independent) from chemical and physical interpretation.
Mott transitions in the periodic Anderson model
International Nuclear Information System (INIS)
Logan, David E; Galpin, Martin R; Mannouch, Jonathan
2016-01-01
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. (paper)
A Modeling & Simulation Implementation Framework for Large-Scale Simulation
Directory of Open Access Journals (Sweden)
Song Xiao
2012-10-01
Full Text Available Classical High Level Architecture (HLA systems are facing development problems for lack of supporting fine-grained component integration and interoperation in large-scale complex simulation applications. To provide efficient methods of this issue, an extensible, reusable and composable simulation framework is proposed. To promote the reusability from coarse-grained federate to fine-grained components, this paper proposes a modelling & simulation framework which consists of component-based architecture, modelling methods, and simulation services to support and simplify the process of complex simulation application construction. Moreover, a standard process and simulation tools are developed to ensure the rapid and effective development of simulation application.
Validation process of simulation model
International Nuclear Information System (INIS)
San Isidro, M. J.
1998-01-01
It is presented a methodology on empirical validation about any detailed simulation model. This king of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparisons between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posterior experiments. Three steps can be well differentiated: Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. Residual analysis. This analysis has been made on the time domain and on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, Esp., studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author) 17 refs
Modeling and Simulation for Safeguards
Energy Technology Data Exchange (ETDEWEB)
Swinhoe, Martyn T. [Los Alamos National Laboratory
2012-07-26
The purpose of this talk is to give an overview of the role of modeling and simulation in Safeguards R&D and introduce you to (some of) the tools used. Some definitions are: (1) Modeling - the representation, often mathematical, of a process, concept, or operation of a system, often implemented by a computer program; (2) Simulation - the representation of the behavior or characteristics of one system through the use of another system, especially a computer program designed for the purpose; and (3) Safeguards - the timely detection of diversion of significant quantities of nuclear material. The role of modeling and simulation are: (1) Calculate amounts of material (plant modeling); (2) Calculate signatures of nuclear material etc. (source terms); and (3) Detector performance (radiation transport and detection). Plant modeling software (e.g. FACSIM) gives the flows and amount of material stored at all parts of the process. In safeguards this allow us to calculate the expected uncertainty of the mass and evaluate the expected MUF. We can determine the measurement accuracy required to achieve a certain performance.
Simulating the Exoplanet Yield from the Transiting Exoplanet Survey Satellite
Barclay, Thomas; Pepper, Joshua; Schlieder, Joshua; Quintana, Elisa
2018-01-01
In 2018 NASA will launch the MIT-led Transiting Exoplanet Survey Satellite (TESS) which has a goal of detecting terrestrial-mass planets orbiting stars bright enough for mass determination via ground-based radial velocity observations. We inferred how many exoplanets the TESS mission will detect, the physical properties of these detected planets, and the properties of the stars that those planets orbit, subject to certain assumptions about the mission performance. To make these predictions we use samples of stars that are drawn from the TESS Input Catalog Candidate Target List. We place zero or more planets in orbit around these stars with physical properties following known exoplanet occurrence rates, and use the TESS noise model to predict the derived properties of the detected exoplanets. We find that it is feasible to detect around 1000 exoplanets, including 250 smaller than 2 earth-radii using the TESS 2-min cadence data. We examined alternative noise models and detection models and find in our pessimistic model that TESS will detect just 500 exoplanets. When potential detections in the full-frame image data are included, the number of detected planets could increase by a factor of 4. Perhaps most excitingly, TESS will find over 2 dozen planets orbiting in the habitable zone of bright, nearby cool stars. These planets will make ideal candidates for atmospheric characerization by JWST.
Cetinkaya, D; Verbraeck, A.; Seck, MD
2015-01-01
Most of the well-known modeling and simulation (M&S) methodologies state the importance of conceptual modeling in simulation studies, and they suggest the use of conceptual models during the simulation model development process. However, only a limited number of methodologies refers to how to
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.
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.
Observation of a many-body dynamical phase transition with a 53-qubit quantum simulator
Zhang, J.; Pagano, G.; Hess, P. W.; Kyprianidis, A.; Becker, P.; Kaplan, H.; Gorshkov, A. V.; Gong, Z.-X.; Monroe, C.
2017-11-01
A quantum simulator is a type of quantum computer that controls the interactions between quantum bits (or qubits) in a way that can be mapped to certain quantum many-body problems. As it becomes possible to exert more control over larger numbers of qubits, such simulators will be able to tackle a wider range of problems, such as materials design and molecular modelling, with the ultimate limit being a universal quantum computer that can solve general classes of hard problems. Here we use a quantum simulator composed of up to 53 qubits to study non-equilibrium dynamics in the transverse-field Ising model with long-range interactions. We observe a dynamical phase transition after a sudden change of the Hamiltonian, in a regime in which conventional statistical mechanics does not apply. The qubits are represented by the spins of trapped ions, which can be prepared in various initial pure states. We apply a global long-range Ising interaction with controllable strength and range, and measure each individual qubit with an efficiency of nearly 99 per cent. Such high efficiency means that arbitrary many-body correlations between qubits can be measured in a single shot, enabling the dynamical phase transition to be probed directly and revealing computationally intractable features that rely on the long-range interactions and high connectivity between qubits.
Microscopic model of the glass transition and the glassy state
International Nuclear Information System (INIS)
Shukla, P.
1982-07-01
A microscopic model of the glass transition and the glassy state is presented. It is exactly solvable, and offers a unified view of the equilibrium and non-equilibrium aspects of the glass transition. It also provides a statistical-mechanical justification of the irreversible thermodynamic models of the glass transition proposed earlier. (author)
Simulating a topological transition in a superconducting phase qubit by fast adiabatic trajectories
Wang, Tenghui; Zhang, Zhenxing; Xiang, Liang; Gong, Zhihao; Wu, Jianlan; Yin, Yi
2018-04-01
The significance of topological phases has been widely recognized in the community of condensed matter physics. The well controllable quantum systems provide an artificial platform to probe and engineer various topological phases. The adiabatic trajectory of a quantum state describes the change of the bulk Bloch eigenstates with the momentum, and this adiabatic simulation method is however practically limited due to quantum dissipation. Here we apply the "shortcut to adiabaticity" (STA) protocol to realize fast adiabatic evolutions in the system of a superconducting phase qubit. The resulting fast adiabatic trajectories illustrate the change of the bulk Bloch eigenstates in the Su-Schrieffer-Heeger (SSH) model. A sharp transition is experimentally determined for the topological invariant of a winding number. Our experiment helps identify the topological Chern number of a two-dimensional toy model, suggesting the applicability of the fast adiabatic simulation method for topological systems.
Weigel, Martin
2011-09-01
Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that of current CPUs by large factors, results from the relative simplicity of the GPU architectures as compared to CPUs, combined with a large number of parallel processing units on a single chip. To benefit from this setup for general computing purposes, the problems at hand need to be prepared in a way to profit from the inherent parallelism and hierarchical structure of memory accesses. In this contribution I discuss the performance potential for simulating spin models, such as the Ising model, on GPU as compared to conventional simulations on CPU.
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.
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.
International Nuclear Information System (INIS)
Liu, D R; Mangelinck-Noël, N; Thi, H Nguyen; Billia, B; Gandin, Ch-A; Zimmermann, G; Sturz, L
2016-01-01
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. (paper)
Simulating the Seismic Signal of Phase Transitions in the Deepest Mantle (Invited)
Walker, A.; Dobson, D. P.; Nowacki, A.; Wookey, J. M.; Forte, A. M.; Kendall, J. M.
2013-12-01
The discovery of the perovskite to post-perovskite phase transition in (Mg,Fe)SiO3 explains many of the seismic observations of the lowermost mantle including the presence of multiple seismic discontinuities and significant seismic anisotropy. However, the explanations of many detailed features remain elusive. The recent discovery of a topotactic relationship between the orientation of perovskite and post-perovskite crystals in a partially transformed analogue opens the possibility of texture inheritance through the phase transition [1]. This must be captured in simulations designed to explain the anisotropy of the lowermost mantle, especially those which link mantle dynamics with seismic observations. We have extended our previous work linking models of flow in the lowermost mantle with simulations of texture development and predictions of seismic anisotropy [2] to account for the topotaxy between perovskite and post-perovskite. In particular, we compare four cases: (1) As in [2], anisotropy is only generated in post-perovskite by dislocation mediated deformation dominated by one of a number of slip systems, phase transitions destroy texture and ferropericlase and perovskite dominated rocks are isotropic. (2) Although phase transitions destroy texture, ferropericlase and/or perovskite deform by dislocation motion permitting the generation of seismic anisotropy in warmer regions of the mantle where post-perovskite is unstable. We account for the possibility of the inversion of slip-system activities in ferropericlase at high pressure as suggested by models of dislocation motion based on atomic scale simulations [3]. (3) Allow texture development by dislocation motion in perovskite and post-perovskite and texture inheritance through phase transitions by the mechanism described in [1]. However, we assume that the bulk of the lower mantle deforms by a mechanism that does not lead to the development of texture and so begin the simulation from a random distribution of
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.
Creating Simulated Microgravity Patient Models
Hurst, Victor; Doerr, Harold K.; Bacal, Kira
2004-01-01
The Medical Operational Support Team (MOST) has been tasked by the Space and Life Sciences Directorate (SLSD) at the NASA Johnson Space Center (JSC) to integrate medical simulation into 1) medical training for ground and flight crews and into 2) evaluations of medical procedures and equipment for the International Space Station (ISS). To do this, the MOST requires patient models that represent the physiological changes observed during spaceflight. Despite the presence of physiological data collected during spaceflight, there is no defined set of parameters that illustrate or mimic a 'space normal' patient. Methods: The MOST culled space-relevant medical literature and data from clinical studies performed in microgravity environments. The areas of focus for data collection were in the fields of cardiovascular, respiratory and renal physiology. Results: The MOST developed evidence-based patient models that mimic the physiology believed to be induced by human exposure to a microgravity environment. These models have been integrated into space-relevant scenarios using a human patient simulator and ISS medical resources. Discussion: Despite the lack of a set of physiological parameters representing 'space normal,' the MOST developed space-relevant patient models that mimic microgravity-induced changes in terrestrial physiology. These models are used in clinical scenarios that will medically train flight surgeons, biomedical flight controllers (biomedical engineers; BME) and, eventually, astronaut-crew medical officers (CMO).
Modelling and simulation of signal transductions in an apoptosis ...
Indian Academy of Sciences (India)
2006-12-12
Dec 12, 2006 ... This paper first presents basic Petri net components representing molecular interactions and mechanisms of signalling pathways, and introduces a method to construct a Petri net model of a signalling pathway with these components. Then a simulation method of determining the delay time of transitions, ...
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 fie...... as support decision making. However, several other factors affect decision making such as, ethics, politics and economics. Furthermore, the insight gained when models are build leads to point out areas where knowledge is lacking....... of FMD spread that can provide useful and trustworthy advises, there are four important issues, which the model should represent: 1) The herd structure of the country in question, 2) the dynamics of animal movements and contacts between herds, 3) the biology of the disease, and 4) the regulations...
Molecular dynamics simulation of the rotational order-disorder phase transition in calcite
International Nuclear Information System (INIS)
Kawano, Jun; Miyake, Akira; Shimobayashi, Norimasa; Kitamura, Masao
2009-01-01
Molecular dynamics (MD) simulation of calcite was carried out with the interatomic potential model based on ab initio calculations to elucidate the phase relations for calcite polymorphs and the mechanism of the rotational order-disorder transition of calcite at high temperature at the atomic scale. From runs of MD calculations with increasing temperature within a pressure range of 1 atm and 2 GPa, the transition of calcite with R3-barc symmetry into a high-temperature phase with R3-barm symmetry was reproduced. In the high-temperature R3-barm phase, CO 3 groups vibrate with large amplitudes either around the original positions in the R3-barc structure or around other positions rotated ± 60 deg., and their positions change continuously with time. Moreover, contrary to the suggestion of previous investigators, the motion of CO 3 groups is not two-dimensional. At 1 atm, the transition between R3-barc and R3-barm is first order in character. Upon increasing temperature at high pressure, however, first a first-order isosymmetric phase transition between the R3-barc phases occurs, which corresponds to the start of ± 120 deg. flipping of CO 3 groups. Then, at higher temperatures, the transition of R3-barc to R3-barm phases happens, which can be considered second order. This set of two types of transitions at elevated pressure can be characterized by the appearance of an 'intermediate' R3-barc phase between the stable region of calcite and the high-temperature R3-barm phase, which may correspond to the CaCO 3 -IV phase.
Puertas, Antonio M; Fuchs, Matthias; Cates, Michael E
2003-03-01
Computer simulations were used to study the gel transition occurring in colloidal systems with short-range attractions. A colloid-polymer mixture was modeled and the results were compared with mode coupling theory (MCT) expectations and with the results for other systems (hard-spheres system and Lennard-Jones system). The self-intermediate scattering function and the mean squared displacement were used as the main dynamical quantities. Two different colloid packing fractions have been studied. For the lower packing fraction, alpha-scaling holds and the wave-vector analysis of the correlation function shows that gelation is a regular nonergodicity transition within MCT. The leading mechanism for the novel nonergodicity transition is identified as the bond formation caused by the short-range attraction. The time scale and diffusion coefficient also show qualitatively the expected behavior, although different exponents are found for the power-law divergences of these two quantities. The non-Gaussian parameter was also studied and a very large correction to Gaussian behavior was found. The system with higher colloid packing fraction shows indications of a nearby high-order singularity, causing alpha scaling to fail, but the general expectations for nonergodicity transitions still hold.
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.
Modeling Transit Patterns Via Mobile App Logs.
2016-01-01
Transit planners need detailed information of the trips people take using public transit in : order to design more optimal routes, address new construction projects, and address the : constantly changing needs of a city and metro region. Better trans...
Advances in Intelligent Modelling and Simulation Simulation Tools and Applications
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...
Modelling Hegemonic Power Transition in Cyberspace
Directory of Open Access Journals (Sweden)
Dmitry Brizhinev
2018-01-01
Full Text Available Cyberspace is the newest domain of conflict and cooperation between states. In cyberspace, as in all other domains, land, sea, air, and space, these interactions often lead to the emergence of hegemons which are characterised by their predominant influence over global world order and all other states. We examined the emergence and collapse of hegemons in a modelled cyberspace world through the notions of power transition and power diffusion. We used Repast Simphony to construct a simple agent-based model (ABM of a system of states interacting both competitively and cooperatively in this world. Our simple model parsimoniously captures the character of the real international system of states through simple parameters of wealth and power determining the outcome of attack or cooperation amongst pairwise interacting states. We found hegemons of global world order emerged in cyberspace as they do in the other traditional domains from models with these few parameters. And we found that hegemons, contrary to traditional understanding, are not exceptional states but merely occupy the tail of a continuous distribution of power and lifetimes. We also found that hegemony in the system depends on two perhaps unexpected parameters: the difficulty of acquiring power as wealth increases and the amount of cooperation between states. And as a consequence, we argue that cyberspace, as a power-diffuse domain where cooperation is easier than elsewhere, is less suited to the kind of hegemony we see in the traditional domains of state interaction.
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.
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...
MODELLING, SIMULATING AND OPTIMIZING BOILERS
DEFF Research Database (Denmark)
Sørensen, Kim; Condra, Thomas Joseph; Houbak, Niels
2004-01-01
In the present work a framework for optimizing the design of boilers for dynamic operation has been developed. A cost function to be minimized during the optimization has been formulated and for the present design variables related to the Boiler Volume and the Boiler load Gradient (i.e. ring rate...... 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...
3D CFD computations of transitional flows using DES and a correlation based transition model
DEFF Research Database (Denmark)
Sørensen, Niels N.
The report describes the application of the correlation based transition model of of Menter et. al. [1, 2] to the cylinder drag crisis and the stalled flow over an DU-96-W-351 airfoil using the DES methodology. When predicting the flow over airfoils and rotors, the laminar-turbulent transition...... process can be important for the aerodynamic performance. Today, the most widespread approach is to use fully turbulent computations, where the transitional process is ignored and the entire boundary layer on the wings or airfoils is handled by the turbulence model. The correlation based transition model...
Role of secondary instability theory and parabolized stability equations in transition modeling
El-Hady, Nabil M.; Dinavahi, Surya P.; Chang, Chau-Lyan; Zang, Thomas A.
1993-01-01
In modeling the laminar-turbulent transition region, the designer depends largely on benchmark data from experiments and/or direct numerical simulations that are usually extremely expensive. An understanding of the evolution of the Reynolds stresses, turbulent kinetic energy, and quantifies in the transport equations like the dissipation and production is essential in the modeling process. The secondary instability theory and the parabolized stability equations method are used to calculate these quantities, which are then compared with corresponding quantities calculated from available direct numerical simulation data for the incompressible boundary-layer flow of laminar-turbulent transition conditions. The potential of the secondary instability theory and the parabolized stability equations approach in predicting these quantities is discussed; results indicate that inexpensive data that are useful for transition modeling in the early stages of the transition region can be provided by these tools.
Monte Carlo simulation of Markov unreliability models
International Nuclear Information System (INIS)
Lewis, E.E.; Boehm, F.
1984-01-01
A Monte Carlo method is formulated for the evaluation of the unrealibility of complex systems with known component failure and repair rates. The formulation is in terms of a Markov process allowing dependences between components to be modeled and computational efficiencies to be achieved in the Monte Carlo simulation. Two variance reduction techniques, forced transition and failure biasing, are employed to increase computational efficiency of the random walk procedure. For an example problem these result in improved computational efficiency by more than three orders of magnitudes over analog Monte Carlo. The method is generalized to treat problems with distributed failure and repair rate data, and a batching technique is introduced and shown to result in substantial increases in computational efficiency for an example problem. A method for separating the variance due to the data uncertainty from that due to the finite number of random walks is presented. (orig.)
Simulation of melt spreading in consideration of phase transitions
International Nuclear Information System (INIS)
Spengler, C.
2002-01-01
The analysis of melt spreading and relocation phenomena in the containment of LWR power plants in case of hypothetical severe accidents leading to core melting is an important issue for reactor safety investigations. For the simulation of melt spreading the code LAVA has been developed on the basis of a method from the related subject of volcanology by adding more detailed models for heat transfer phenomena and flow rheology. The development is supported by basic analysis of the spreading of gravity currents as well as experimental investigations of the rheology of solidifying melts. These exhibit strong non-Newtonian effects in case of a high content of solids in the freezing melt. The basic model assumption in LAVA is the ideal Bingham plastic approach to the non-Newtonian, shear-thinning characteristic of solidifying melts. For the recalculation of melt spreading experiments, the temperature-dependent material properties for solidifying melt mixtures have been calculated using correlations from the literature. With the parameters and correlations for the rheological material properties approached by results from literature, it was possible to recalculate successfully recent spreading experiments with simulant materials and prototypic reactor core materials. An application to the behaviour of core melt in the reactor cavity assumed a borderline case for the issue of spreading. This limit is represented by melt conditions (large solid fraction, low volume flux), under which the melt is hardly spreadable. Due to the persistent volume flux the reactor cavity is completely, but inhomogeneously filled with melt. The degree of inhomogeneity is rather small, so it is concluded, that for the long-term coolability of a melt pool in narrow cavities the spreading of melt will probably have only negligible influence. (orig.)
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......, 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...
Simulated annealing model of acupuncture
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.
Extinction phase transitions in a model of ecological and evolutionary dynamics
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.
International Nuclear Information System (INIS)
Xu, S.
1993-01-01
Molecular dynamics simulations of nucleation and phase transitions in TeF 6 and SeF 6 clusters containing 100-350 molecules were carried out. Simulations successfully reproduced the crystalline structures observed in electron diffraction studies of large clusters (containing about 10 4 molecules) of the same materials. When the clusters were cooled, they spontaneously underwent the same bcc the monoclinic phase transition in simulations as in experiment, despite the million-fold difference in the time scales involved. Other transitions observed included melting and freezing. Several new techniques based on molecular translation and orientation were introduced to identify different condensed phases, to study nucleation and phase transitions, and to define characteristic temperatures of transitions. The solid-state transition temperatures decreased with cluster size in the same way as did the melting temperature, in that the depression of transition temperature was inversely proportional to the cluster radius. Rotational melting temperatures, as inferred from the rotational diffusion of molecules, coincided with those of the solid-state transition. Nucleation in liquid-solid and bcc-monoclinic transitions started in the interior of clusters on cooling, and at the surface on heating. Transition temperatures on cooling were always lower than those on heating due to the barriers to nucleation. Linear growth rates of nuclei in freezing were an order of magnitude lower than those in the bcc-monoclinic transition. Revealing evidence about the molecular behavior associated with phase changes was found. Simulations showed the formation of the actual transition complexes along the transition pathway, i.e., the critical nuclei of the new phase. These nuclei, consisting of a few dozen molecules, were distinguishable in the midst of the surrounding matter
Metal-insulator transition and Frohlich conductivity in the Su-Schrieffer-Heeger model
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
Safety models incorporating graph theory based transit indicators.
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. Copyright © 2012 Elsevier Ltd. All rights reserved.
Liquid-liquid phase transition and glass transition in a monoatomic model system.
Xu, Limei; Buldyrev, Sergey V; Giovambattista, Nicolas; Stanley, H Eugene
2010-01-01
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.
Impulse pumping modelling and simulation
International Nuclear Information System (INIS)
Pierre, B; Gudmundsson, J S
2010-01-01
Impulse pumping is a new pumping method based on propagation of pressure waves. Of particular interest is the application of impulse pumping to artificial lift situations, where fluid is transported from wellbore to wellhead using pressure waves generated at wellhead. The motor driven element of an impulse pumping apparatus is therefore located at wellhead and can be separated from the flowline. Thus operation and maintenance of an impulse pump are facilitated. The paper describes the different elements of an impulse pumping apparatus, reviews the physical principles and details the modelling of the novel pumping method. Results from numerical simulations of propagation of pressure waves in water-filled pipelines are then presented for illustrating impulse pumping physical principles, and validating the described modelling with experimental data.
Bridging experiments, models and simulations
DEFF Research Database (Denmark)
Carusi, Annamaria; Burrage, Kevin; Rodríguez, Blanca
2012-01-01
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...... 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...... 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....
3D CFD computations of trasitional flows using DES and a correlation based transition model
DEFF Research Database (Denmark)
Sørensen, Niels N.; Bechmann, Andreas; Zahle, Frederik
2011-01-01
The present article describes the application of the correlation based transition model of Menter et al. in combination with the Detached Eddy Simulation (DES) methodology to two cases with large degree of flow separation typically considered difficult to compute. Firstly, the flow is computed over....... Secondly, the flow is computed over a thick airfoil at high angle of attack, in this case the DU-96-W351 is considered. These computations show that a transition model is needed to obtain correct drag predictions at low angle of attack, and that the combination of transition and the DES method improve...
Transitioning Back to Mainstream Education: The Flexible Integration Model
Cumming, Therese M.; Strnadová, Iva
2017-01-01
The implementation of a transition model, the flexible integration model, was investigated in a school in Sydney, Australia, using an exploratory single case study design (Rowley, 2002). It is a person-centred model designed to assist students in transitioning from a special school for students with emotional and behavioural disabilities to…
Human driven transitions in complex model ecosystems
Harfoot, Mike; Newbold, Tim; Tittinsor, Derek; Purves, Drew
2015-04-01
Human activities have been observed to be impacting ecosystems across the globe, leading to reduced ecosystem functioning, altered trophic and biomass structure and ultimately ecosystem collapse. Previous attempts to understand global human impacts on ecosystems have usually relied on statistical models, which do not explicitly model the processes underlying the functioning of ecosystems, represent only a small proportion of organisms and do not adequately capture complex non-linear and dynamic responses of ecosystems to perturbations. We use a mechanistic ecosystem model (1), which simulates the underlying processes structuring ecosystems and can thus capture complex and dynamic interactions, to investigate boundaries of complex ecosystems to human perturbation. We explore several drivers including human appropriation of net primary production and harvesting of animal biomass. We also present an analysis of the key interactions between biotic, societal and abiotic earth system components, considering why and how we might think about these couplings. References: M. B. J. Harfoot et al., Emergent global patterns of ecosystem structure and function from a mechanistic general ecosystem model., PLoS Biol. 12, e1001841 (2014).
Transit Boardings Estimation and Simulation Tool (TBEST) calibration for guideway and BRT modes.
2013-06-01
This research initiative was motivated by a desire of the Florida Department of Transportation and the : Transit Boardings Estimation and Simulation Tool (TBEST) project team to enhance the value of TBEST to : the planning community by improving its ...
2008-06-01
la transition, la croissance des instabilités 3D et leurs mécanismes d’éclatement, les progrès effectués dans les méthodes Navier Stoke parabolisées...EN-AVT-151 Advances in Laminar Turbulent Transition Modelling (Les avancées dans la modélisation de la transition laminaire turbulente) Papers...
Tanguy, Benoit; Besson, Jacques; Piques, Roland; Pineau, André
2005-01-01
International audience; A finite element simulation of the Charpy test is developed in order to model the ductile to brittle transition curve of a pressure vessel steel. The material (an A508 steel) and the experimental results are presented in a companion paper (Part I [Engng. Fract. Mech.]). The proposed simulation includes a detailed description of the material viscoplastic behavior over a wide temperature range. Ductile behavior is modeled using modified Rousselier model. The Beremin mode...
Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui
2016-04-01
Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.
International Nuclear Information System (INIS)
Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui
2016-01-01
Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.
Energy Technology Data Exchange (ETDEWEB)
Qiao, Qin, E-mail: qqiao@ust.hk; Zhang, Hou-Dao [Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Huang, Xuhui, E-mail: xuhuihuang@ust.hk [Department of Chemistry, Division of Biomedical Engineering, Center of Systems Biology and Human Health, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); The HKUST Shenzhen Research Institute, Shenzhen (China)
2016-04-21
Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.
Monte Carlo simulation of the OCP freezing transition
International Nuclear Information System (INIS)
DeWitt, H.E.; Slattery, W.L.; Yang, Juxing
1992-09-01
The One Component Plasma (OCP) in three dimensions is a system of classical point charges moving in a fixed uniform neutralizing background. In nature the OCP is a rough approximation of the conditions in a white dwarf star in which one has fully ionized nuclei such as carbon, oxygen, and smaller amounts of heavier elements up to iron all moving in a nearly uniform background provided by relativistically degenerate electrons. The OCP is also a mathematical limiting model for a non-neutral plasma of ions in a Penning trap and cooled to strongly coupled conditions. Similarly, a collection of charge colloidal suspensions in water can exhibit the Coulomb freezing behavior of the OCP. A single dimensionless parameter, Γ is sufficient to describe the system. For very weak coupling, Γ much-lt 1, the thermodynamic properties of the OCP are given rigorously by the Debye-Huckel theory. This paper reports on Monte Carlo simulation of the freezing of the OCP from a random start for particle numbers ranging from 500 to 2000. In one case the authors obtained a perfect bcc lattice, but in most cases the final state would be an imperfect crystal or two different microcrystals, fcc and bcc, growing into each other. With a cluster analysis program the authors looked at the formation of nucleating clusters, and followed the actual freezing process. Roughly 80 particles are needed in a cluster before it starts to grow rapidly and freeze
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.
Koo, B.; Liu, Y.; Zou, J.; Chattopadhyay, A.; Dai, L. L.
2014-09-01
This study investigates the glass transition temperature (Tg) of novel stress-sensitive composites capable of detecting a damage precursor using molecular dynamics (MD) simulations. The molecular structures of a cross-linked epoxy network (which consist of epoxy resin, hardener and stress-sensitive material) have been simulated and experimentally validated. The chemical constituents of the molecular structures are di-glycidyl ether of bisphenol F (DGEBF: epoxy resin), di-ethylene tri-amine (DETA: hardener) and tris-(cinnamoyloxymethyl)-ethane (TCE: stress-sensitive material). The cross-linking degree is varied by manipulating the number of covalent bonds through tuning a cutoff distance between activated DGEBF and DETA during the non-equilibrium MD simulation. A relationship between the cross-linking degree and Tgs has been studied numerically. In order to validate a proposed MD simulation framework, MD-predicted Tgs of materials used in this study have been compared to the experimental results obtained by the differential scanning calorimetry (DSC). Two molecular models have been constructed for comparative study: (i) neat epoxy (epoxy resin with hardener) and (ii) smart polymer (neat epoxy with stress-sensitive material). The predicted Tgs show close agreement with the DSC results.
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.
Convergence of Transition Probability Matrix in CLVMarkov Models
Permana, D.; Pasaribu, U. S.; Indratno, S. W.; Suprayogi, S.
2018-04-01
A transition probability matrix is an arrangement of transition probability from one states to another in a Markov chain model (MCM). One of interesting study on the MCM is its behavior for a long time in the future. The behavior is derived from one property of transition probabilty matrix for n steps. This term is called the convergence of the n-step transition matrix for n move to infinity. Mathematically, the convergence of the transition probability matrix is finding the limit of the transition matrix which is powered by n where n moves to infinity. The convergence form of the transition probability matrix is very interesting as it will bring the matrix to its stationary form. This form is useful for predicting the probability of transitions between states in the future. The method usually used to find the convergence of transition probability matrix is through the process of limiting the distribution. In this paper, the convergence of the transition probability matrix is searched using a simple concept of linear algebra that is by diagonalizing the matrix.This method has a higher level of complexity because it has to perform the process of diagonalization in its matrix. But this way has the advantage of obtaining a common form of power n of the transition probability matrix. This form is useful to see transition matrix before stationary. For example cases are taken from CLV model using MCM called Model of CLV-Markov. There are several models taken by its transition probability matrix to find its convergence form. The result is that the convergence of the matrix of transition probability through diagonalization has similarity with convergence with commonly used distribution of probability limiting method.
Simulation Model of Mobile Detection Systems
International Nuclear Information System (INIS)
Edmunds, T.; Faissol, D.; Yao, Y.
2009-01-01
In this paper, we consider a mobile source that we attempt to detect with man-portable, vehicle-mounted or boat-mounted radiation detectors. The source is assumed to transit an area populated with these mobile detectors, and the objective is to detect the source before it reaches a perimeter. We describe a simulation model developed to estimate the probability that one of the mobile detectors will come in to close proximity of the moving source and detect it. We illustrate with a maritime simulation example. Our simulation takes place in a 10 km by 5 km rectangular bay patrolled by boats equipped with 2-inch x 4-inch x 16-inch NaI detectors. Boats to be inspected enter the bay and randomly proceed to one of seven harbors on the shore. A source-bearing boat enters the mouth of the bay and proceeds to a pier on the opposite side. We wish to determine the probability that the source is detected and its range from target when detected. Patrol boats select the nearest in-bound boat for inspection and initiate an intercept course. Once within an operational range for the detection system, a detection algorithm is started. If the patrol boat confirms the source is not present, it selects the next nearest boat for inspection. Each run of the simulation ends either when a patrol successfully detects a source or when the source reaches its target. Several statistical detection algorithms have been implemented in the simulation model. First, a simple k-sigma algorithm, which alarms with the counts in a time window exceeds the mean background plus k times the standard deviation of background, is available to the user. The time window used is optimized with respect to the signal-to-background ratio for that range and relative speed. Second, a sequential probability ratio test [Wald 1947] is available, and configured in this simulation with a target false positive probability of 0.001 and false negative probability of 0.1. This test is utilized when the mobile detector maintains
Computer Simulation of Water-Ice Transition in Hydrophobic Nanopores
Czech Academy of Sciences Publication Activity Database
Slovák, Jan; Tanaka, H.; Koga, K.; Zeng, X. C.
2001-01-01
Roč. 292, - (2001), s. 87-101 ISSN 0378-4371 Institutional research plan: CEZ:AV0Z4072921 Keywords : computer * water-ice transition * hydrophobic nanopore s Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.295, year: 2001
Thermodynamic model of nonequilibrium phase transitions.
Martyushev, L M; Konovalov, M S
2011-07-01
Within the scope of a thermodynamic description using the maximum entropy production principle, transitions from one nonequilibrium (kinetic) regime to another are considered. It is shown that in the case when power-law dependencies of thermodynamic flux on force are similar for two regimes, only a transition accompanied by a positive jump of thermodynamic flux is possible between them. It is found that the difference in powers of the dependencies of thermodynamic fluxes on forces results in a number of interesting nonequilibrium transitions between kinetic regimes, including the reentrant one with a negative jump of thermodynamic flux.
A multiple-field coupled resistive transition model for superconducting Nb3Sn
Directory of Open Access Journals (Sweden)
Lin Yang
2016-12-01
Full Text Available 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.
A multiple-field coupled resistive transition model for superconducting Nb3Sn
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.
Nonlinear modeling of crystal system transition of black phosphorus using continuum-DFT model
Setoodeh, A. R.; Farahmand, H.
2018-01-01
In this paper, the nonlinear behavior of black phosphorus crystals is investigated in tandem with dispersion-corrected density functional theory (DFT-D) analysis under uniaxial loadings. From the identified anisotropic behavior of black phosphorus due to its morphological anisotropy, a hyperelastic anisotropic (HA) model named continuum-DFT is established to predict the nonlinear behavior of the material. In this respect, uniaxial Cauchy stresses are employed on both the DFT-D and HA models along the zig-zag and armchair directions. Simultaneously, the transition of the crystal system is recognized at about 4.5 GPa of the applied uniaxial tensile stress along the zig-zag direction on the DFT-D simulation in the nonlinear region. In order to develop the nonlinear continuum model, unknown constants are surveyed with the optimized least square technique. In this regard, the continuum model is obtained to reproduce the Cauchy stress–stretch and density of strain–stretch results of the DFT-D simulation. Consequently, the modified HA model is introduced to characterize the nonlinear behavior of black phosphorus along the zig-zag direction. More importantly, the specific transition of the crystal system is successfully predicted in the new modified continuum-DFT model. The results reveal that the multiscale continuum-DFT model is well defined to replicate the nonlinear behavior of black phosphorus along the zig-zag and armchair directions.
Nonlinear modeling of crystal system transition of black phosphorus using continuum-DFT model.
Setoodeh, A R; Farahmand, H
2018-01-24
In this paper, the nonlinear behavior of black phosphorus crystals is investigated in tandem with dispersion-corrected density functional theory (DFT-D) analysis under uniaxial loadings. From the identified anisotropic behavior of black phosphorus due to its morphological anisotropy, a hyperelastic anisotropic (HA) model named continuum-DFT is established to predict the nonlinear behavior of the material. In this respect, uniaxial Cauchy stresses are employed on both the DFT-D and HA models along the zig-zag and armchair directions. Simultaneously, the transition of the crystal system is recognized at about 4.5 GPa of the applied uniaxial tensile stress along the zig-zag direction on the DFT-D simulation in the nonlinear region. In order to develop the nonlinear continuum model, unknown constants are surveyed with the optimized least square technique. In this regard, the continuum model is obtained to reproduce the Cauchy stress-stretch and density of strain-stretch results of the DFT-D simulation. Consequently, the modified HA model is introduced to characterize the nonlinear behavior of black phosphorus along the zig-zag direction. More importantly, the specific transition of the crystal system is successfully predicted in the new modified continuum-DFT model. The results reveal that the multiscale continuum-DFT model is well defined to replicate the nonlinear behavior of black phosphorus along the zig-zag and armchair directions.
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.
Model for pairing phase transition in atomic nuclei
International Nuclear Information System (INIS)
Schiller, A.; Guttormsen, M.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.
2002-01-01
A model is developed which allows the investigation and classification of the pairing phase transition in atomic nuclei. The regions of the parameter space are discussed for which a pairing phase transition can be observed. The model parameters include number of particles, attenuation of pairing correlations with increasing seniority, single-particle level spacing, and pairing gap parameter
Understanding & modeling bus transit driver availability.
2014-07-01
Bus transit agencies are required to hire extraboard (i.e. back-up) operators to account for unexpected absences. Incorrect sizing of extra driver workforce is problematic for a number of reasons. Overestimating the appropriate number of extraboard o...
International Nuclear Information System (INIS)
Binder, K; Paul, W; Strauch, T; Rampf, F; Ivanov, V; Luettmer-Strathmann, J
2008-01-01
The statistical mechanics of flexible and semiflexible macromolecules is distinct from that of small molecule systems, since the thermodynamic limit can also be approached when the number of (effective) monomers of a single chain (realizable by a polymer solution in the dilute limit) is approaching infinity. One can introduce effective attractive interactions into a simulation model for a single chain such that a swollen coil contracts when the temperature is reduced, until excluded volume interactions are effectively canceled by attractive forces, and the chain conformation becomes almost Gaussian at the theta point. This state corresponds to a tricritical point, as the renormalization group theory shows. Below the theta temperature a fluid globule is predicted (at nonzero concentration then phase separation between dilute and semidilute solutions occurs), while at still lower temperature a transition to a solid phase (crystal or glass) occurs. Monte Carlo simulations have shown, however, that the fluid globule phase may become suppressed, when the range of the effective attractive forces becomes too short, with the result that a direct (ultimately first-order) transition from the swollen coil to the solid occurs. This behavior is analogous to the behavior of colloidal particles with a very short range of attractive forces, where liquid-vapor-type phase separation may be suppressed. Analogous first-order transitions from swollen coils to dense rodlike or toroidal structures occur for semiflexible polymers. Finally, the modifications of the behavior discussed when the polymers are adsorbed at surfaces are also mentioned, and possible relations to wetting behavior of polymer solutions are addressed.
Distributed simulation a model driven engineering approach
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.
Crowd Human Behavior for Modeling and Simulation
2009-08-06
Crowd Human Behavior for Modeling and Simulation Elizabeth Mezzacappa, Ph.D. & Gordon Cooke, MEME Target Behavioral Response Laboratory, ARDEC...TYPE Conference Presentation 3. DATES COVERED 00-00-2008 to 00-00-2009 4. TITLE AND SUBTITLE Crowd Human Behavior for Modeling and Simulation...34understanding human behavior " and "model validation and verification" and will focus on modeling and simulation of crowds from a social scientist???s
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.
Destyanto, A. R.; Putri, O. A.; Hidayatno, A.
2017-11-01
Due to the advantages that serious simulation game offered, many areas of studies, including energy, have used serious simulation games as their instruments. However, serious simulation games in the field of energy transition still have few attentions. In this study, serious simulation game is developed and tested as the activity of public education about energy transition which is a conversion from oil to natural gas program. The aim of the game development is to create understanding and awareness about the importance of energy transition for society in accelerating the process of energy transition in Indonesia since 1987 the energy transition program has not achieved the conversion target yet due to the lack of education about energy transition for society. Developed as a digital serious simulation game following the framework of integrated game design, the Transergy game has been tested to 15 users and then analysed. The result of verification and validation of the game shows that Transergy gives significance to the users for understanding and triggering the needs of oil to natural gas conversion.
On the fast estimation of transit times application to BWR simulated data
International Nuclear Information System (INIS)
Antonopoulos-Domis, M.; Marseguerra, M.; Padovani, E.
1996-01-01
Real time estimators of transit times are proposed. BWR noise is simulated including a global component due to rod vibration. The time obtained form the simulation is used to investigate the robustness and noise immunity of the estimators. It is found that, in presence of a coincident (global) signal, the cross-correlation function is the worst estimator. (authors)
Molecular simulation of capillary phase transitions in flexible porous materials
Shen, Vincent K.; Siderius, Daniel W.; Mahynski, Nathan A.
2018-03-01
We used flat-histogram sampling Monte Carlo to study capillary phase transitions in deformable adsorbent materials. Specifically, we considered a pure adsorbate fluid below its bulk critical temperature within a slit pore of variable pore width. The instantaneous pore width is dictated by a number of factors, such as adsorbate loading, reservoir pressure, fluid-wall interaction, and bare adsorbent properties. In the slit pores studied here, the bare adsorbent free energy was assumed to be biparabolic, consisting of two preferential pore configurations, namely, the narrow pore and the large pore configurations. Four distinct phases could be found in the adsorption isotherms. We found a low-pressure phase transition, driven primarily by capillary condensation/evaporation and accompanied by adsorbent deformation in response. The deformation can be a relatively small contraction/expansion as seen in elastic materials, or a large-scale structural transformation of the adsorbent. We also found a high-pressure transition driven by excluded volume effects, which tends to expand the material and thus results in a large-scale structural transformation of the adsorbent. The adsorption isotherms and osmotic free energies can be rationalized by considering the relative free energy differences between the basins of the bare adsorbent free energy.
Simulation Model for DMEK Donor Preparation.
Mittal, Vikas; Mittal, Ruchi; Singh, Swati; Narang, Purvasha; Sridhar, Priti
2018-04-09
To demonstrate a simulation model for donor preparation in Descemet membrane endothelial keratoplasty (DMEK). The inner transparent membrane of the onion (Allium cepa) was used as a simulation model for human Descemet membrane (DM). Surgical video (see Video, Supplemental Digital Content 1, http://links.lww.com/ICO/A663) demonstrating all the steps was recorded. This model closely simulates human DM and helps DMEK surgeons learn the nuances of DM donor preparation steps with ease. The technique is repeatable, and the model is cost-effective. The described simulation model can assist surgeons and eye bank technicians to learn steps in donor preparation in DMEK.
Simulation and Modeling Methodologies, Technologies and Applications
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).
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.
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.
Modeling boundary-layer transition in DNS and LES using Parabolized Stability Equations
Lozano-Duran, Adrian; Hack, M. J. Philipp; Moin, Parviz
2016-11-01
The modeling of the laminar region and the prediction of the point of transition remain key challenges in the numerical simulation of boundary layers. The issue is of particular relevance for wall-modeled large eddy simulations which require 10 to 100 times higher grid resolution in the thin laminar region than in the turbulent regime. Our study examines the potential of the nonlinear parabolized stability equations (PSE) to provide an accurate, yet computationally efficient treatment of the growth of disturbances in the pre-transitional flow regime. The PSE captures the nonlinear interactions that eventually induce breakdown to turbulence, and can as such identify the onset of transition without relying on empirical correlations. Since the local PSE solution at the point of transition is the solution of the Navier-Stokes equations, it provides a natural inflow condition for large eddy and direct simulations by avoiding unphysical transients. We show that in a classical H-type transition scenario, a combined PSE/DNS approach can reproduce the skin-friction distribution obtained in reference direct numerical simulations. The computational cost in the laminar region is reduced by several orders of magnitude. Funded by the Air Force Office of Scientific Research.
Molecular dynamics simulations of Pd-Ni transition metal alloys
International Nuclear Information System (INIS)
Kart, S. O.; Kart, H. H.; Uludogan, M.; Tomak, M.; Cagin, T.
2002-01-01
Molecular Dynamics simulations are performed to study bulk properties of fcc metals and metal alloys by using the quantum Sutton-Chen many-body potentials within the context of the tight-binding approach. The Molecular Dynamics algorithms we used in the simulations of Pd-Ni alloys are based on an extended Hamiltonian formalism arising from the works of Andersen (1980), Parinello and Rahman (1980), Nose (1984), Hoover (1985) and Cagin (1988). In these simulations, the effect of temperature and concentration on the solid and liquid properties are studied. Elastic constants and phonon dispersion relation are the solid properties we simulated in this work. Dynamic and static properties of liquid Pd-Ni are also computed by examining the behavior of density, enthalpy, pair distribution function and structure factor. The melting temperatures of Pd-Ni alloys are investigated. The diffusion coefficients are calculated from the mean square displacement using Einstein relation and from velocity auto-correlation function using Green-Kubo relations. The simulation results are in good agreement with the experiments
Elastic Model Transitions Using Quadratic Inequality Constrained Least Squares
Orr, Jeb S.
2012-01-01
A technique is presented for initializing multiple discrete finite element model (FEM) mode sets for certain types of flight dynamics formulations that rely on superposition of orthogonal modes for modeling the elastic response. Such approaches are commonly used for modeling launch vehicle dynamics, and challenges arise due to the rapidly time-varying nature of the rigid-body and elastic characteristics. By way of an energy argument, a quadratic inequality constrained least squares (LSQI) algorithm is employed to e ect a smooth transition from one set of FEM eigenvectors to another with no requirement that the models be of similar dimension or that the eigenvectors be correlated in any particular way. The physically unrealistic and controversial method of eigenvector interpolation is completely avoided, and the discrete solution approximates that of the continuously varying system. The real-time computational burden is shown to be negligible due to convenient features of the solution method. Simulation results are presented, and applications to staging and other discontinuous mass changes are discussed
A physiological production model for cacao : results of model simulations
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.
Electroweak phase transition in a model with gauged lepton number
International Nuclear Information System (INIS)
Aranda, Alfredo; Jiménez, Enrique; Vaquera-Araujo, Carlos A.
2015-01-01
In this work we study the electroweak phase transition in a model with gauged lepton number. Here, a family of vector-like leptons is required in order to cancel the gauge anomalies. Furthermore, these leptons can play an important role in the transition process. We find that this framework is able to provide a strong transition, but only for a very limited number of cases.
Characteristics of the chiral phase transition in nonlocal quark models
International Nuclear Information System (INIS)
Gomez Dumm, D. Gomez; Scoccola, N.N.
2005-01-01
The characteristics of the chiral phase transition are analyzed within the framework of chiral quark models with nonlocal interactions in the mean-field approximation. In the chiral limit, we develop a semianalytic framework that allows us to explicitly determine the phase transition curve, the position of the critical points, some relevant critical exponents, etc. For the case of finite current quark masses, we show the behavior of various thermodynamical and chiral response functions across the phase transition
Simulation modeling and analysis with Arena
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...
Atomistic simulation for coil-to-globule transition of poly(2-dimethylaminoethyl methacrylate).
Min, Sa Hoon; Kwak, Sang Kyu; Kim, Byeong-Su
2015-03-28
The coil-to-globule transition of poly(2-dimethylaminoethyl methacrylate) (PDMAEMA) in aqueous solution was investigated by all-atomistic molecular dynamics simulations. The polymer consistent force field (PCFF) was applied to the PDMAEMA model with a proper protonation state. The structural analysis indicates a distinct difference in the hydration state of particular functional groups of PDMAEMA as well as in the conformational state of PDMAEMA below and above the lower critical solution temperature (LCST). In particular, by monitoring the motion of water molecules, we observe that water molecules in the vicinity of the carbonyl group are relatively restricted to the motion in the globule state due to the extended relaxation time of hydrogen bonds among water molecules. The degree of protonation was also adjusted to study the effect of protonation on the conformational state of PDMAEMA.
Simulations of the Fuel Economy and Emissions of Hybrid Transit Buses over Planned Local Routes
Energy Technology Data Exchange (ETDEWEB)
Gao, Zhiming [ORNL; LaClair, Tim J [ORNL; Daw, C Stuart [ORNL; Smith, David E [ORNL; Franzese, Oscar [ORNL
2014-01-01
We present simulated fuel economy and emissions city transit buses powered by conventional diesel engines and diesel-hybrid electric powertrains of varying size. Six representative city drive cycles were included in the study. In addition, we included previously published aftertreatment device models for control of CO, HC, NOx, and particulate matter (PM) emissions. Our results reveal that bus hybridization can significantly enhance fuel economy by reducing engine idling time, reducing demands for accessory loads, exploiting regenerative braking, and shifting engine operation to speeds and loads with higher fuel efficiency. Increased hybridization also tends to monotonically reduce engine-out emissions, but trends in the tailpipe (post-aftertreatment) emissions involve more complex interactions that significantly depend on motor size and drive cycle details.
Transition to CASMO-5M and SIMULATE-3K for stability analyses of the Swiss BWRs
International Nuclear Information System (INIS)
Dokhane, A.; Canepa, S.; Ferroukhi, H.
2012-01-01
For stability analyses of the Swiss operating Boiling-Water-Reactors (BWRs), the methodology employed and validated so far at the Paul Scherrer Inst. (PSI) was based on the RAMONA-3 code with a hybrid upstream static lattice/core analysis approach using CASMO-4 and PRESTO-2. More recently, steps were undertaken towards a new methodology based on the SIMULATE-3K (S3K) code for the dynamical analyses combined with the CMSYS system relying on the CASMO/SIMULATE-3 suite of codes and which was established at PSI to serve as framework for the development and validation of reference core models of all the Swiss reactors and operated cycles. This paper presents a first validation of the new methodology on the basis of a benchmark recently organised by a Swiss utility and including the participation of several international organisations with various codes/methods. Now in parallel, a transition from CASMO-4E (C4E) to CASMO-5M (C5M) as basis for the CMSYS core models was also recently initiated at PSI. Consequently, it was considered adequate to address the impact of this transition both for the steady-state core analyses as well as for the stability calculations and to achieve thereby, an integral approach for the validation of the new S3K methodology. Therefore, a comparative assessment of C4 versus C5M is also presented in this paper with particular emphasis on the void coefficients and their impact on the downstream stability analysis results. (authors)
Phase Transition in a Sexual Age-Structured Model of Learning Foreign Languages
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.
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.
Good urban transit: a conservative model
2009-02-01
For many years, transit advocates and city planners have argued that we need more and : better public transportation. Public transportation is not merely a service to the poor, something that enables people who have no car or do not drive to get arou...
Model of transition between causes of death.
Damiani, P; Aubenque, M
1975-06-01
This paper describes an attempt to estimate the probabilities of transition between various major causes of death during the period 1954-1962. The regression coefficients have been estimated from French département death rates for ten main or typical causes of death, assessed by sex for the age group 45-64 years.
On the phase transition nature in compressible Ising models
International Nuclear Information System (INIS)
Ota, A.T.
1985-01-01
The phase transition phenomenon is analysed in a compressible ferromagnetic Ising model at null field, through the mean-field approximation. The model studied is d-dimensional under the magnetic point of view and one-dimensional under the elastic point of view. This is achieved keeping the compressive interactions among the ions and rejecting annealing forces completely. The exchange parameter J is linear and the elastic potential quadratic in relation to the microscopic shifts of the lattice. In the one-dimensional case, this model shows no phase transition. In the two-dimensional case, the role of the S i spin of the i-the ion is crucial: a) for spin 1/2 the transitions are of second order; b) for spin 1, desides the second order transitions there is a three-critical point and a first-order transitions line. (L.C.) [pt
Chen, Pei; Liu, Rui; Li, Yongjun; Chen, Luonan
2016-07-15
Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e. before-transition state, pre-transition state and after-transition state, which can be considered as three different Markov processes. By exploring the rich dynamical information provided by high-throughput data, we present a novel computational method, i.e. hidden Markov model (HMM) based approach, to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e. the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin and HCV-induced dysplasia and hepatocellular carcinoma. Both functional and pathway enrichment analyses validate the computational results. The source code and some supporting files are available at https://github.com/rabbitpei/HMM_based-method lnchen@sibs.ac.cn or liyj@scut.edu.cn Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
Modelling and simulation of a heat exchanger
Xia, Lei; Deabreu-Garcia, J. Alex; Hartley, Tom T.
1991-01-01
Two models for two different control systems are developed for a parallel heat exchanger. First by spatially lumping a heat exchanger model, a good approximate model which has a high system order is produced. Model reduction techniques are applied to these to obtain low order models that are suitable for dynamic analysis and control design. The simulation method is discussed to ensure a valid simulation result.
The extent of the glass transition from molecular simulation revealing an overcrank effect.
Godey, François; Fleury, Alexandre; Ghoufi, Aziz; Soldera, Armand
2018-02-15
A deep understanding of the transition between rubber and amorphous state characterized by a glass transition temperature, T g , is still a source of discussions. In this work, we highlight the role of molecular simulation in revealing explicitly this temperature dependent behavior. By reporting the specific volume, the thermal expansion coefficient and the heat capacity versus the temperature, we actually show that the glass transition domain extends to a greater range of temperature, compared with experiments. This significant enlargement width is due to the fast cooling rate, and actually explains the difficulty to locate T g . This result is the manifestation of an overcranking effect used by high-speed cameras to reveal slow-motion. Accordingly, atomistic simulation offers the significant opportunity to show that the transition from the rubber state to the glass phase should be detailed in terms of the degrees of freedom freeze. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Multiple molecule effects on the cooperativity of protein folding transitions in simulations
Lewis, Jacob I.; Moss, Devin J.; Knotts, Thomas A.
2012-06-01
Though molecular simulation of proteins has made notable contributions to the study of protein folding and kinetics, disagreement between simulation and experiment still exists. One of the criticisms levied against simulation is its failure to reproduce cooperative protein folding transitions. This weakness has been attributed to many factors such as a lack of polarizability and adequate capturing of solvent effects. This work, however, investigates how increasing the number of proteins simulated simultaneously can affect the cooperativity of folding transitions — a topic that has received little attention previously. Two proteins are studied in this work: phage T4 lysozyme (Protein Data Bank (PDB) ID: 7LZM) and phage 434 repressor (PDB ID: 1R69). The results show that increasing the number of proteins molecules simulated simultaneously leads to an increase in the macroscopic cooperativity for transitions that are inherently cooperative on the molecular level but has little effect on the cooperativity of other transitions. Taken as a whole, the results identify one area of consideration to improving simulations of protein folding.
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.
VHDL simulation with access to transistor models
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.
NLTE atomic kinetics modeling in ICF target simulations
Patel, Mehul V.; Mauche, Christopher W.; Scott, Howard A.; Jones, Ogden S.; Shields, Benjamin T.
2017-10-01
Radiation hydrodynamics (HYDRA) simulations using recently developed 1D spherical and 2D cylindrical hohlraum models have enabled a reassessment of the accuracy of energetics modeling across a range of NIF target configurations. Higher-resolution hohlraum calculations generally find that the X-ray drive discrepancies are greater than previously reported. We identify important physics sensitivities in the modeling of the NLTE wall plasma and highlight sensitivity variations between different hohlraum configurations (e.g. hohlraum gas fill). Additionally, 1D capsule only simulations show the importance of applying a similar level of rigor to NLTE capsule ablator modeling. Taken together, these results show how improved target performance predictions can be achieved by performing inline atomic kinetics using more complete models for the underlying atomic structure and transitions. Prepared by LLNL under Contract DE-AC52-07NA27344.
Numerical Simulation of Transition in Hypersonic Boundary Layers
2011-02-01
208 29 List of Symbols Abbrevations 2D, 3D Two-/three-dimensional DNS Direct Numerical Simulation EXP Experiments FFT Fast Fourier...ω = 0.4176), 2D (β ∼ 10−8), (c) f ∗ = 6.36kHz (F = 3.0 × 10−5, ω = 0.03132), 3D (β = 0.102); M=3.0, T∗∞=103.6K, flat plate. 100 spectra (cph,x = 1...only a spanwise average is used. In figure 5.27, all velocity components experience an energy decline as predicted by theory ( Heisenberg , 1948
Modeling dynamic beta-gamma polymorphic transition in Tin
Chauvin, Camille; Montheillet, Frank; Petit, Jacques; CEA Gramat Collaboration; EMSE Collaboration
2015-06-01
Solid-solid phase transitions in metals have been studied by shock waves techniques for many decades. Recent experiments have investigated the transition during isentropic compression experiments and shock-wave compression and have highlighted the strong influence of the loading rate on the transition. Complementary data obtained with velocity and temperature measurements around the polymorphic transition beta-gamma of Tin on gas gun experiments have displayed the importance of the kinetics of the transition. But, even though this phenomenon is known, modeling the kinetic remains complex and based on empirical formulations. A multiphase EOS is available in our 1D Lagrangian code Unidim. We propose to present the influence of various kinetic laws (either empirical or involving nucleation and growth mechanisms) and their parameters (Gibbs free energy, temperature, pressure) on the transformation rate. We compare experimental and calculated velocities and temperature profiles and we underline the effects of the empirical parameters of these models.
The electroweak phase transition in the Inert Doublet Model
Energy Technology Data Exchange (ETDEWEB)
Blinov, Nikita [Department of Physics, University of California Santa Cruz,1156 High St, Santa Cruz, CA 95064 (United States); Santa Cruz Institute for Particle Physics,1156 High St, Santa Cruz, CA 95064 (United States); Theory Department, TRIUMF,4004 Wesbrook Mall, Vancouver, BC V6T 2A3 (Canada); Department of Physics and Astronomy, University of British Columbia,Vancouver, BC V6T 1Z1 (Canada); Profumo, Stefano; Stefaniak, Tim [Department of Physics, University of California Santa Cruz,1156 High St, Santa Cruz, CA 95064 (United States); Santa Cruz Institute for Particle Physics,1156 High St, Santa Cruz, CA 95064 (United States)
2015-07-21
We study the strength of a first-order electroweak phase transition in the Inert Doublet Model (IDM), where particle dark matter (DM) is comprised of the lightest neutral inert Higgs boson. We improve over previous studies in the description and treatment of the finite-temperature effective potential and of the electroweak phase transition. We focus on a set of benchmark models inspired by the key mechanisms in the IDM leading to a viable dark matter particle candidate, and illustrate how to enhance the strength of the electroweak phase transition by adjusting the masses of the yet undiscovered IDM Higgs states. We argue that across a variety of DM masses, obtaining a strong enough first-order phase transition is a generic possibility in the IDM. We find that due to direct dark matter searches and collider constraints, a sufficiently strong transition and a thermal relic density matching the universal DM abundance is possible only in the Higgs funnel regime.
The electroweak phase transition in the Inert Doublet Model
Energy Technology Data Exchange (ETDEWEB)
Blinov, Nikita; Profumo, Stefano; Stefaniak, Tim, E-mail: nblinov@triumf.ca, E-mail: profumo@ucsc.edu, E-mail: tistefan@ucsc.edu [Department of Physics, University of California Santa Cruz, 1156 High St, Santa Cruz, CA 95064 (United States)
2015-07-01
We study the strength of a first-order electroweak phase transition in the Inert Doublet Model (IDM), where particle dark matter (DM) is comprised of the lightest neutral inert Higgs boson. We improve over previous studies in the description and treatment of the finite-temperature effective potential and of the electroweak phase transition. We focus on a set of benchmark models inspired by the key mechanisms in the IDM leading to a viable dark matter particle candidate, and illustrate how to enhance the strength of the electroweak phase transition by adjusting the masses of the yet undiscovered IDM Higgs states. We argue that across a variety of DM masses, obtaining a strong enough first-order phase transition is a generic possibility in the IDM. We find that due to direct dark matter searches and collider constraints, a sufficiently strong transition and a thermal relic density matching the universal DM abundance is possible only in the Higgs funnel regime.
Energy Technology Data Exchange (ETDEWEB)
Peng Yajing; Wang Yinghui; Yang Yanqiang, E-mail: yqyang@hit.edu.c [Harbin Institute of Technology, Center for Condensed Matter Science and Technology, Department of Physics (China); Dlott, Dana D., E-mail: dlott@illinois.ed [University of Illinois at Urbana-Champaign, School of Chemical Sciences (United States)
2010-03-15
Nanoaluminum combined with an oxidizing polymer binder is representative of a new class of nanotechnology energetic materials termed 'structural energetic materials' that can be laser initiated by near-infrared heating of the Al particles. The visible and near-IR absorption spectra of Al nanoparticles passivated by the native oxide Al{sub 2}O{sub 3}, embedded in nitrocellulose (NC) binder, are simulated numerically using a model for the metallic dielectric function that incorporates the effects of interband transitions. The effects of oxide thickness, nanoparticle size and size distribution, and particle shape on the absorption characteristics are investigated. The nanoparticle spectra evidence an absorption peak and valley in the 550-1,100 nm range that redshift with decreasing nanoparticle size. Calculations indicate that this peak-valley structure results from interband transitions, and the unusual redshift cannot be explained without using an interband transition onset frequency that varies with nanoparticle size.
Peng, Yajing; Wang, Yinghui; Yang, Yanqiang; Dlott, Dana D.
2010-03-01
Nanoaluminum combined with an oxidizing polymer binder is representative of a new class of nanotechnology energetic materials termed "structural energetic materials" that can be laser initiated by near-infrared heating of the Al particles. The visible and near-IR absorption spectra of Al nanoparticles passivated by the native oxide Al2O3, embedded in nitrocellulose (NC) binder, are simulated numerically using a model for the metallic dielectric function that incorporates the effects of interband transitions. The effects of oxide thickness, nanoparticle size and size distribution, and particle shape on the absorption characteristics are investigated. The nanoparticle spectra evidence an absorption peak and valley in the 550-1,100 nm range that redshift with decreasing nanoparticle size. Calculations indicate that this peak-valley structure results from interband transitions, and the unusual redshift cannot be explained without using an interband transition onset frequency that varies with nanoparticle size.
Policy advice derived from simulation models
Brenner, T.; Werker, C.
2009-01-01
When advising policy we face the fundamental problem that economic processes are connected with uncertainty and thus policy can err. In this paper we show how the use of simulation models can reduce policy errors. We suggest that policy is best based on socalled abductive simulation models, which
DEFF Research Database (Denmark)
Hervig, K.W.; Wu, Z.; Dai, P.
1997-01-01
neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T-m...... coincides with transformation of Some molecules from trans to gauche conformations. Furthermore, if gauche molecules are prevented from forming in the simulation, the calculated incoherent scattering function contains no quasielastic component below T-m. Modeling of both the neutron and simulated hexane......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...
Model Validation for Simulations of Vehicle Systems
2012-08-01
jackknife”, Annals of Statistics, 7:1-26, 1979. [45] B. Efron and G. Gong, “A leisurely look at the bootstrap, the jackknife, and cross-validation”, The...battery model developed in the Automotive Research Center, a US Army Center of Excellence for modeling and simulation of ground vehicle systems...Sandia National Laboratories and a battery model developed in the Automotive Research Center, a US Army Center of Excellence for modeling and simulation
Transient Modeling and Simulation of Compact Photobioreactors
Ribeiro, Robert Luis Lara; Mariano, André Bellin; Souza, Jeferson Avila; Vargas, Jose Viriato Coelho
2008-01-01
In this paper, a mathematical model is developed to make possible the simulation of microalgae growth and its dependency on medium temperature and light intensity. The model is utilized to simulate a compact photobioreactor response in time with physicochemical parameters of the microalgae Phaeodactylum tricornutum. The model allows for the prediction of the transient and local evolution of the biomass concentration in the photobioreactor with low computational time. As a result, the model is...
A Spalart–Allmaras local correlation–based transition model for Thermo–fuid dynamics
D’Alessandro, V.; Garbuglia, F.; Montelpare, S.; Zoppi, A.
2017-11-01
The study of innovative energy systems often involves complex fluid flows problems and the Computational Fluid-Dynamics (CFD) is one of the main tools of analysis. It is important to put in evidence that in several energy systems the flow field experiences the laminar-to-turbulent transition. Direct Numerical Simulations (DNS) or Large Eddy Simulation (LES) are able to predict the flow transition but they are still inapplicable to the study of real problems due to the significant computational resources requirements. Differently standard Reynolds Averaged Navier Stokes (RANS) approaches are not always reliable since they assume a fully turbulent regime. In order to overcome this drawback in the recent years some locally formulated transition RANS models have been developed. In this work, we present a local correlation–based transition approach adding two equations that control the laminar-toturbulent transition process –γ and \\[\\overset{}{\\mathop{{{\\operatorname{Re}}θ, \\text{t}}}} \\] – to the well–known Spalart–Allmaras (SA) turbulence model. The new model was implemented within OpenFOAM code. The energy equation is also implemented in order to evaluate the model performance in thermal–fluid dynamics applications. In all the considered cases a very good agreement between numerical and experimental data was observed.
Simulation of space charge effects and transition crossing in the Fermilab Booster
International Nuclear Information System (INIS)
Lucas, P.; MacLachlan, J.
1987-03-01
The longitudinal phase space program ESME, modified for space charge and wall impedance effects, has been used to simulate transition crossing in the Fermilab Booster. The simulations yield results in reasonable quantitative agreement with measured parameters. They further indicate that a transition jump scheme currently under construction will significantly reduce emittance growth, while attempts to alter machine impedance are less obviously beneficial. In addition to presenting results, this paper points out a serious difficulty, related to statistical fluctuations, in the space charge calculation. False indications of emittance growth can appear if care is not taken to minimize this problem
On the chiral phase transition in the linear sigma model
International Nuclear Information System (INIS)
Tran Huu Phat; Nguyen Tuan Anh; Le Viet Hoa
2003-01-01
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. (author)
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...
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...
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 (2H_{2} + O_{2}). 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.
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.
Simulation modeling for the health care manager.
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.
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.
Modeling and simulation of blood collection systems.
Alfonso, Edgar; Xie, Xiaolan; Augusto, Vincent; Garraud, Olivier
2012-03-01
This paper addresses the modeling and simulation of blood collection systems in France for both fixed site and mobile blood collection with walk in whole blood donors and scheduled plasma and platelet donors. Petri net models are first proposed to precisely describe different blood collection processes, donor behaviors, their material/human resource requirements and relevant regulations. Petri net models are then enriched with quantitative modeling of donor arrivals, donor behaviors, activity times and resource capacity. Relevant performance indicators are defined. The resulting simulation models can be straightforwardly implemented with any simulation language. Numerical experiments are performed to show how the simulation models can be used to select, for different walk in donor arrival patterns, appropriate human resource planning and donor appointment strategies.
Exact simulation of conditioned Wright-Fisher models.
Zhao, Lei; Lascoux, Martin; Waxman, David
2014-12-21
Forward and backward simulations play an increasing role in population genetics, in particular when inferring the relative importance of evolutionary forces. It is therefore important to develop fast and accurate simulation methods for general population genetics models. Here we present an exact simulation method that generates trajectories of an allele׳s frequency in a finite population, as described by a general Wright-Fisher model. The method generates conditioned trajectories that start from a known frequency at a known time, and which achieve a specific final frequency at a known final time. The simulation method applies irrespective of the smallness of the probability of the transition between the initial and final states, because it is not based on rejection of trajectories. We illustrate the method on several different populations where a Wright-Fisher model (or related) applies, namely (i) a locus with 2 alleles, that is subject to selection and mutation; (ii) a locus with 3 alleles, that is subject to selection; (iii) a locus in a metapopulation consisting of two subpopulations of finite size, that are subject to selection and migration. The simulation method allows the generation of conditioned trajectories that can be used for the purposes of visualisation, the estimation of summary statistics, and the development/testing of new inferential methods. The simulated trajectories provide a very simple approach to estimating quantities that cannot easily be expressed in terms of the transition matrix, and can be applied to finite Markov chains other than the Wright-Fisher model. Copyright © 2014 Elsevier Ltd. All rights reserved.
Metastable liquid-liquid transition in a molecular model of water.
Palmer, Jeremy C; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G
2014-06-19
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
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...
Allosteric transition: a comparison of two models
DEFF Research Database (Denmark)
Bindslev, Niels
2013-01-01
Introduction Two recent models are in use for analysis of allosteric drug action at receptor sites remote from orthosteric binding sites. One is an allosteric two-state mechanical model derived in 2000 by David Hall. The other is an extended operational model developed in 2007 by Arthur Christopo...
SPIDERMAN: Fast code to simulate secondary transits and phase curves
Louden, Tom; Kreidberg, Laura
2017-11-01
SPIDERMAN calculates exoplanet phase curves and secondary eclipses with arbitrary surface brightness distributions in two dimensions. The code uses a geometrical algorithm to solve exactly the area of sections of the disc of the planet that are occulted by the star. Approximately 1000 models can be generated per second in typical use, which makes making Markov Chain Monte Carlo analyses practicable. The code is modular and allows comparison of the effect of multiple different brightness distributions for a dataset.
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.
International Nuclear Information System (INIS)
Rivera, M.; Rios-Reyes, C.H.; Mendoza-Huizar, L.H.
2011-01-01
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.
Physically realistic modeling of maritime training simulation
Cieutat , Jean-Marc
2003-01-01
Maritime training simulation is an important matter of maritime teaching, which requires a lot of scientific and technical skills.In this framework, where the real time constraint has to be maintained, all physical phenomena cannot be studied; the most visual physical phenomena relating to the natural elements and the ship behaviour are reproduced only. Our swell model, based on a surface wave simulation approach, permits to simulate the shape and the propagation of a regular train of waves f...
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....
Failure-mode transition in transient polymer networks with particle-based simulations
Sprakel, J.H.B.; Spruijt, E.; Padding, J.T.; Briels, W.J.
2009-01-01
Transient polymer networks are known to undergo a wide variety of viscoelastic flow instabilities. In this paper we investigate two of these flow failure modes: shear banding and melt fracture. Using particle-based simulations we reveal a transition from gradient banding to fracture in transient
TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS
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
Directory of Open Access Journals (Sweden)
O. Moravek
2012-06-01
Full Text Available A radiation and electro-magnetic (EM field analysis of coaxial-to-microstrip transitions is presented. Radiation is quantified by simulation and measurement of a crosstalk between two Omni-Spectra's transitions using microstrip 'open' calibration standards at different positions. Simulation results are compared to the measured data and good agreement is reported on two different substrates. The evaluation method which is used to analyze quality of the transition and its radiation properties was already developed and verified on a grounded coplanar waveguide (CPWG transmission line. Results can be used to estimate uncertainty budget of the calibrated measurement with respect to the measured radiation. Results on different substrates show interesting behaviour and can prove useful when choosing suitable substrate for specific test-fixture.
Station Model for Rail Transit System Using Cellular Automata
International Nuclear Information System (INIS)
Xun Jing; Ning Bin; Li Keping
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. (general)
Complexity and phase transitions in a holographic QCD model
Zhang, Shao-Jun
2018-04-01
Applying the "Complexity = Action" conjecture, we study the holographic complexity close to crossover/phase transition in a holographic QCD model proposed by Gubser et al. This model can realize three types of phase transition, crossover or first and second order, depending on the parameters of the dilaton potential. The re-scaled late-time growth rate of holographic complexity density for the three cases is calculated. Our results show that it experiences a fast drop/jump close to the critical point while approaching constants far beyond the critical temperature. Moreover, close to the critical temperature, it shows a behavior characterizing the type of the transition. These features suggest that the growth rate of the holographic complexity may be used as a good parameter to characterize the phase transition. The Lloyd's bound is always satisfied for the cases we considered but only saturated for the conformal case.
TPmsm: Estimation of the Transition Probabilities in 3-State Models
Directory of Open Access Journals (Sweden)
Artur Araújo
2014-12-01
Full Text Available One major goal in clinical applications of multi-state models is the estimation of transition probabilities. The usual nonparametric estimator of the transition matrix for non-homogeneous Markov processes is the Aalen-Johansen estimator (Aalen and Johansen 1978. However, two problems may arise from using this estimator: first, its standard error may be large in heavy censored scenarios; second, the estimator may be inconsistent if the process is non-Markovian. The development of the R package TPmsm has been motivated by several recent contributions that account for these estimation problems. Estimation and statistical inference for transition probabilities can be performed using TPmsm. The TPmsm package provides seven different approaches to three-state illness-death modeling. In two of these approaches the transition probabilities are estimated conditionally on current or past covariate measures. Two real data examples are included for illustration of software usage.
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.
The use of total simulator training in transitioning air-carrier pilots: A field evaluation
Randle, R. J., Jr.; Tanner, T. A.; Hamerman, J. A.; Showalter, T. H.
1981-01-01
A field study was conducted in which the performance of air carrier transitioning pilots who had landing training in a landing maneuver approved simulator was compared with the performance of pilots who had landing training in the aircraft. Forty-eight trainees transitioning to the B-727 aircraft and eighty-seven trainees transitioning to the DC-10 were included in the study. The study results in terms of both objectively measured performance indicants and observer and check-pilot ratings did not demonstrate a clear distinction between the two training groups. The results suggest that, for these highly skilled transitioning pilots, a separate training module in the aircraft may be of dubious value.
A Correlation-Based Transition Model using Local Variables. Part 1; Model Formation
Menter, F. R.; Langtry, R. B.; Likki, S. R.; Suzen, Y. B.; Huang, P. G.; Volker, S.
2006-01-01
A new correlation-based transition model has been developed, which is based strictly on local variables. As a result, the transition model is compatible with modern computational fluid dynamics (CFD) approaches, such as unstructured grids and massive parallel execution. The model is based on two transport equations, one for intermittency and one for the transition onset criteria in terms of momentum thickness Reynolds number. The proposed transport equations do not attempt to model the physics of the transition process (unlike, e.g., turbulence models) but from a framework for the implementation of correlation-based models into general-purpose CFD methods.
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
Magnetosphere Modeling: From Cartoons to Simulations
Gombosi, T. I.
2017-12-01
Over the last half a century physics-based global computer simulations became a bridge between experiment and basic theory and now it represents the "third pillar" of geospace research. Today, many of our scientific publications utilize large-scale simulations to interpret observations, test new ideas, plan campaigns, or design new instruments. Realistic simulations of the complex Sun-Earth system have been made possible by the dramatically increased power of both computing hardware and numerical algorithms. Early magnetosphere models were based on simple E&M concepts (like the Chapman-Ferraro cavity) and hydrodynamic analogies (bow shock). At the beginning of the space age current system models were developed culminating in the sophisticated Tsyganenko-type description of the magnetic configuration. The first 3D MHD simulations of the magnetosphere were published in the early 1980s. A decade later there were several competing global models that were able to reproduce many fundamental properties of the magnetosphere. The leading models included the impact of the ionosphere by using a height-integrated electric potential description. Dynamic coupling of global and regional models started in the early 2000s by integrating a ring current and a global magnetosphere model. It has been recognized for quite some time that plasma kinetic effects play an important role. Presently, global hybrid simulations of the dynamic magnetosphere are expected to be possible on exascale supercomputers, while fully kinetic simulations with realistic mass ratios are still decades away. In the 2010s several groups started to experiment with PIC simulations embedded in large-scale 3D MHD models. Presently this integrated MHD-PIC approach is at the forefront of magnetosphere simulations and this technique is expected to lead to some important advances in our understanding of magnetosheric physics. This talk will review the evolution of magnetosphere modeling from cartoons to current systems
Analytic Scattering and Refraction Models for Exoplanet Transit Spectra
Robinson, Tyler D.; Fortney, Jonathan J.; Hubbard, William B.
2017-12-01
Observations of exoplanet transit spectra are essential to understanding the physics and chemistry of distant worlds. The effects of opacity sources and many physical processes combine to set the shape of a transit spectrum. Two such key processes—refraction and cloud and/or haze forward-scattering—have seen substantial recent study. However, models of these processes are typically complex, which prevents their incorporation into observational analyses and standard transit spectrum tools. In this work, we develop analytic expressions that allow for the efficient parameterization of forward-scattering and refraction effects in transit spectra. We derive an effective slant optical depth that includes a correction for forward-scattered light, and present an analytic form of this correction. We validate our correction against a full-physics transit spectrum model that includes scattering, and we explore the extent to which the omission of forward-scattering effects may bias models. Also, we verify a common analytic expression for the location of a refractive boundary, which we express in terms of the maximum pressure probed in a transit spectrum. This expression is designed to be easily incorporated into existing tools, and we discuss how the detection of a refractive boundary could help indicate the background atmospheric composition by constraining the bulk refractivity of the atmosphere. Finally, we show that opacity from Rayleigh scattering and collision-induced absorption will outweigh the effects of refraction for Jupiter-like atmospheres whose equilibrium temperatures are above 400-500 K.
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
A familiar example of a feedback loop is the business model in which part of the output or profit is fedback as input or additional capital - for instance, a company may choose to reinvest 10% of the profit for expansion of the business. Such simple models, like ..... would help scientists, engineers and managers towards better.
Complex Simulation Model of Mobile Fading Channel
Directory of Open Access Journals (Sweden)
Tomas Marek
2005-01-01
Full Text Available In the mobile communication environment the mobile channel is the main limiting obstacle to reach the best performance of wireless system. Modeling of the radio channel consists of two basic fading mechanisms - Long-term fading and Short-term fading. The contribution deals with simulation of complex mobile radio channel, which is the channel with all fading components. Simulation model is based on Clarke-Gans theoretical model for fading channel and is developed in MATLAB environment. Simulation results have shown very good coincidence with theory. This model was developed for hybrid adaptation 3G uplink simulator (described in this issue during the research project VEGA - 1/0140/03.
Simulation Model Development for Mail Screening Process
National Research Council Canada - National Science Library
Vargo, Trish; Marvin, Freeman; Kooistra, Scott
2005-01-01
STUDY OBJECTIVE: Provide decision analysis support to the Homeland Defense Business Unit, Special Projects Team, in developing a simulation model to help determine the most effective way to eliminate backlog...
SEIR model simulation for Hepatitis B
Side, Syafruddin; Irwan, Mulbar, Usman; Sanusi, Wahidah
2017-09-01
Mathematical modelling and simulation for Hepatitis B discuss in this paper. Population devided by four variables, namely: Susceptible, Exposed, Infected and Recovered (SEIR). Several factors affect the population in this model is vaccination, immigration and emigration that occurred in the population. SEIR Model obtained Ordinary Differential Equation (ODE) non-linear System 4-D which then reduces to 3-D. SEIR model simulation undertaken to predict the number of Hepatitis B cases. The results of the simulation indicates the number of Hepatitis B cases will increase and then decrease for several months. The result of simulation using the number of case in Makassar also found the basic reproduction number less than one, that means, Makassar city is not an endemic area of Hepatitis B.
Simulation data mapping in virtual cardiac model.
Jiquan, Liu; Jingyi, Feng; Duan, Huilong; Siping, Chen
2004-01-01
Although 3D heart and torso model with realistic geometry are basis of simulation computation in LFX virtual cardiac model, the simulation results are mostly output in 2D format. To solve such a problem and enhance the virtual reality of LFX virtual cardiac model, the methods of voxel mapping and vertex project mapping were presented. With these methods, excitation isochrone map (EIM) was mapped from heart model with realistic geometry to real visible man heart model, and body surface potential map (BSPM) was mapped from torso model with realistic geometry to real visible man body surface. By visualizing in the 4Dview, which is a real-time 3D medical image visualization platform, the visualization results of EIM and BSPM simulation data before and after mapping were also provided. According to the visualization results, the output format of EIM and BSPM simulation data of LFX virtual cardiac model were extended from 2D to 4D (spatio-temporal) and from cardiac model with realistic geometry to real cardiac model, and more realistic and effective simulation was achieved.
Turning Simulation into Estimation: Generalized Exchange Algorithms for Exponential Family Models.
Directory of Open Access Journals (Sweden)
Maarten Marsman
Full Text Available The Single Variable Exchange algorithm is based on a simple idea; any model that can be simulated can be estimated by producing draws from the posterior distribution. We build on this simple idea by framing the Exchange algorithm as a mixture of Metropolis transition kernels and propose strategies that automatically select the more efficient transition kernels. In this manner we achieve significant improvements in convergence rate and autocorrelation of the Markov chain without relying on more than being able to simulate from the model. Our focus will be on statistical models in the Exponential Family and use two simple models from educational measurement to illustrate the contribution.
Fully Adaptive Radar Modeling and Simulation Development
2017-04-01
AFRL-RY-WP-TR-2017-0074 FULLY ADAPTIVE RADAR MODELING AND SIMULATION DEVELOPMENT Kristine L. Bell and Anthony Kellems Metron, Inc...SMALL BUSINESS INNOVATION RESEARCH (SBIR) PHASE I REPORT. Approved for public release; distribution unlimited. See additional restrictions...2017 4. TITLE AND SUBTITLE FULLY ADAPTIVE RADAR MODELING AND SIMULATION DEVELOPMENT 5a. CONTRACT NUMBER FA8650-16-M-1774 5b. GRANT NUMBER 5c
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.
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 tr...
A validated, transitional and translational porcine model of hepatocellular carcinoma
Schachtschneider, Kyle M.; Schwind, Regina M.; Darfour-Oduro, Kwame A.; De, Arun K.; Rund, Lauretta A.; Singh, Kuldeep; Principe, Daniel R.; Guzman, Grace; Ray, Charles E.; Ozer, Howard; Gaba, Ron C.; Schook, Lawrence B.
2017-01-01
Difficult questions are confronting clinicians attempting to improve hepatocellular carcinoma (HCC) outcomes. A large animal model with genetic, anatomical, and physiological similarities to humans is required to transition from mouse models to human clinical trials to address unmet clinical
Spin delocalization phase transition in a correlated electrons model
International Nuclear Information System (INIS)
Huerta, L.
1990-11-01
In a simplified one-site model for correlated electrons systems we show the existence of a phase transition corresponding to spin delocalization. The system becomes a solvable model and zero-dimensional functional techniques are used. (author). 7 refs, 3 figs
Modeling of magnetic particle suspensions for simulations
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,...
[Estimation of transition probability in diameter grade transition model of forest population].
Qu, Zhilin; Hu, Haiqing
2006-12-01
Based on the theories of statistical analysis and differential equation, two methods were given for estimating the transition probability in the diameter grade transition model of forest population. The first method was used for the estimation when two groups of observation data were given and it was no necessary to consider the environmental factors of forest stand, while the second one was used for that when the environmental factors were known and there was no need of the observation data. The results of case studies showed that both of the two methods had the characteristics of easy operation and high practicability, and the importance of theoretical guidance and practical application in forest management.
Challenges for Modeling and Simulation
National Research Council Canada - National Science Library
Johnson, James
2002-01-01
This document deals with modeling and stimulation. The strengths are study processes that rarely or never occur, evaluate a wide range of alternatives, generate new ideas, new concepts and innovative solutions...
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.
The Work of Cultural Transition: An Emerging Model.
Ryba, Tatiana V; Stambulova, Natalia B; Ronkainen, Noora J
2016-01-01
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.
A High-Speed Train Operation Plan Inspection Simulation Model
Directory of Open Access Journals (Sweden)
Yang Rui
2018-01-01
Full Text Available We developed a train operation simulation tool to inspect a train operation plan. In applying an improved Petri Net, the train was regarded as a token, and the line and station were regarded as places, respectively, in accordance with the high-speed train operation characteristics and network function. Location change and running information transfer of the high-speed train were realized by customizing a variety of transitions. The model was built based on the concept of component combination, considering the random disturbance in the process of train running. The simulation framework can be generated quickly and the system operation can be completed according to the different test requirements and the required network data. We tested the simulation tool when used for the real-world Wuhan to Guangzhou high-speed line. The results showed that the proposed model can be developed, the simulation results basically coincide with the objective reality, and it can not only test the feasibility of the high-speed train operation plan, but also be used as a support model to develop the simulation platform with more capabilities.
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...
Modelling and Simulation of Wave Loads
DEFF Research Database (Denmark)
Sørensen, John Dalsgaard; Thoft-Christensen, Palle
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......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...
Modelling and Simulation of Wave Loads
DEFF Research Database (Denmark)
Sørensen, John Dalsgaard; Thoft-Christensen, Palle
1985-01-01
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......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...
Modeling and simulation of discrete event systems
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
Minimum-complexity helicopter simulation math model
Heffley, Robert K.; Mnich, Marc A.
1988-01-01
An example of a minimal complexity simulation helicopter math model is presented. Motivating factors are the computational delays, cost, and inflexibility of the very sophisticated math models now in common use. A helicopter model form is given which addresses each of these factors and provides better engineering understanding of the specific handling qualities features which are apparent to the simulator pilot. The technical approach begins with specification of features which are to be modeled, followed by a build up of individual vehicle components and definition of equations. Model matching and estimation procedures are given which enable the modeling of specific helicopters from basic data sources such as flight manuals. Checkout procedures are given which provide for total model validation. A number of possible model extensions and refinement are discussed. Math model computer programs are defined and listed.
A Transitive Model For Artificial Intelligence Applications
Dwyer, John
1986-03-01
A wide range of mathematical techniques have been applied to artificial intelligence problems and some techniques have proved more suitable than others for certain types of problem. We formally define a mathematical model which incorporates some of these successful techniques and we discuss its intrinsic properties. Universal applicability of the model is demonstrated through specific applications to problems drawn from rule-based systems, digital hardware design and constraint satisfaction networks. We also give indications of potential applications to other artificial intelligence problems, including knowledge engineering.
Models of agglomeration and glass transition
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.
A simulation model for football championships
Koning, Ruud H.; Koolhaas, Michael; Renes, Gusta
2001-01-01
In this paper we discuss a simulation/probability model that identifies the team that is most likely to win a tournament. The model can also be used to answer other questions like ‘which team had a lucky draw?’ or ‘what is the probability that two teams meet at some moment in the tournament?’. Input to the simulation/probability model are scoring intensities, that are estimated as a weighted average of goals scored. The model has been used in practice to write articles for the popular press, ...
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. © IMechE 2015.
Quantum Phase Transition and Universal Dynamics in the Rabi Model.
Hwang, Myung-Joong; Puebla, Ricardo; Plenio, Martin B
2015-10-30
We consider the Rabi Hamiltonian, which exhibits a quantum phase transition (QPT) despite consisting only of a single-mode cavity field and a two-level atom. We prove QPT by deriving an exact solution in the limit where the atomic transition frequency in the unit of the cavity frequency tends to infinity. The effect of a finite transition frequency is studied by analytically calculating finite-frequency scaling exponents as well as performing a numerically exact diagonalization. Going beyond this equilibrium QPT setting, we prove that the dynamics under slow quenches in the vicinity of the critical point is universal; that is, the dynamics is completely characterized by critical exponents. Our analysis demonstrates that the Kibble-Zurek mechanism can precisely predict the universal scaling of residual energy for a model without spatial degrees of freedom. Moreover, we find that the onset of the universal dynamics can be observed even with a finite transition frequency.
Structural transition models for a class or irreversible aggregates
International Nuclear Information System (INIS)
Canessa, E.
1995-02-01
A progress report on two recent theoretical approaches proposed to understand the physics of irreversible fractal aggregates showing up a structural transition from a rather dense to a more multibranched growth is presented. In the first approach the transition is understood by solving the Poisson equation on a squared lattice. The second approach is based on the discretization of the Biharmonic equation. Within these models the transition appears when the growth velocity at the fractal surface presents a minimum. The effects of the surrounding medium and geometrical constraints for the seed particles are considered. By using the optical diffraction method, the structural transition is further characterized by a decrease in the fractal dimension for this peculiar class of aggregates. (author). 17 refs, 4 figs
Advances in transitional flow modeling applications to helicopter rotors
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.
Computer Based Modelling and Simulation
Indian Academy of Sciences (India)
Modelling Deterministic Systems. N K Srinivasan gradu- ated from Indian. Institute of Science and obtained his Doctorate from Columbia Univer- sity, New York. He has taught in several universities, and later did system analysis, wargaming and simula- tion for defence. His other areas of interest are reliability engineer-.
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....
Chapter 5: Application of state-and-transition models to evaluate wildlife habitat
Anita T. Morzillo; Pamela Comeleo; Blair Csuti; Stephanie Lee
2014-01-01
Wildlife habitat analysis often is a central focus of natural resources management and policy. State-and-transition models (STMs) allow for simulation of landscape level ecological processes, and for managers to test âwhat ifâ scenarios of how those processes may affect wildlife habitat. This chapter describes the methods used to link STM output to wildlife habitat to...
Aralis, Hilary; Brookmeyer, Ron
2017-01-01
Multistate models provide an important method for analyzing a wide range of life history processes including disease progression and patient recovery following medical intervention. Panel data consisting of the states occupied by an individual at a series of discrete time points are often used to estimate transition intensities of the underlying continuous-time process. When transition intensities depend on the time elapsed in the current state and back transitions between states are possible, this intermittent observation process presents difficulties in estimation due to intractability of the likelihood function. In this manuscript, we present an iterative stochastic expectation-maximization algorithm that relies on a simulation-based approximation to the likelihood function and implement this algorithm using rejection sampling. In a simulation study, we demonstrate the feasibility and performance of the proposed procedure. We then demonstrate application of the algorithm to a study of dementia, the Nun Study, consisting of intermittently-observed elderly subjects in one of four possible states corresponding to intact cognition, impaired cognition, dementia, and death. We show that the proposed stochastic expectation-maximization algorithm substantially reduces bias in model parameter estimates compared to an alternative approach used in the literature, minimal path estimation. We conclude that in estimating intermittently observed semi-Markov models, the proposed approach is a computationally feasible and accurate estimation procedure that leads to substantial improvements in back transition estimates.
Phase transitions for Ising model with four competing interactions
International Nuclear Information System (INIS)
Ganikhodjaev, N.N.; Rozikov, U.A.
2004-11-01
In this paper we consider an Ising model with four competing interactions (external field, nearest neighbor, second neighbors and triples of neighbors) on the Cayley tree of order two. We show that for some parameter values of the model there is phase transition. Our second result gives a complete description of periodic Gibbs measures for the model. We also construct uncountably many non-periodic extreme Gibbs measures. (author)
Küçükkeçeci Çetinkaya, D.
2013-01-01
Modeling and simulation (M&S) is an effective method for analyzing and designing systems and it is of interest to scientists and engineers from all disciplines. This thesis proposes the application of a model driven software development approach throughout the whole set of M&S activities and it
International Nuclear Information System (INIS)
Abramov, Alexey G; Smirnov, Evgueni M; Goryachev, Valery D
2014-01-01
Results of direct numerical simulations for time-developing air natural-convection boundary layer are presented. Computations have been performed assuming periodicity conditions in both the directions parallel to the vertical isothermal hot plate. The contribution is mainly focused on understanding of laminar–turbulent transition peculiarities in the case of perturbation action of external turbulence that is modeled by isotropic disturbances initially introduced into the computational domain. Special attention is paid to identification and analysis of evolving three-dimensional vortices that clearly manifest themselves through the whole stages of laminar–turbulent transition in the boundary layer. A comparison of computed profiles of mean velocity, mean temperature and fluctuation characteristics for turbulent regimes of convection with experimental data is performed as well. (paper)
Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J; Baltzer, Jon R
2015-06-30
The precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolve into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody's correlation. Plug base flow requires stronger inlet disturbance for transition. Accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.
Simulation and modeling of turbulent flows
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.
Monte Carlo simulations of a model for opinion formation
Bordogna, C. M.; Albano, E. V.
2007-04-01
A model for opinion formation based on the Theory of Social Impact is presented and studied by means of numerical simulations. Individuals with two states of opinion are impacted due to social interactions with: i) members of the society, ii) a strong leader with a well-defined opinion and iii) the mass media that could either support or compete with the leader. Due to that competition, the average opinion of the social group exhibits phase-transition like behaviour between different states of opinion.
Dynamic modeling and simulation of wind turbines
International Nuclear Information System (INIS)
Ghafari Seadat, M.H.; Kheradmand Keysami, M.; Lari, H.R.
2002-01-01
Using wind energy for generating electricity in wind turbines is a good way for using renewable energies. It can also help to protect the environment. The main objective of this paper is dynamic modeling by energy method and simulation of a wind turbine aided by computer. In this paper, the equations of motion are extracted for simulating the system of wind turbine and then the behavior of the system become obvious by solving the equations. The turbine is considered with three blade rotor in wind direction, induced generator that is connected to the network and constant revolution for simulation of wind turbine. Every part of the wind turbine should be simulated for simulation of wind turbine. The main parts are blades, gearbox, shafts and generator
Hybrid simulation models of production networks
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.
The behaviour of adaptive boneremodeling simulation models
Weinans, H.; Huiskes, R.; Grootenboer, H.J.
1992-01-01
The process of adaptive bone remodeling can be described mathematically and simulated in a computer model, integrated with the finite element method. In the model discussed here, cortical and trabecular bone are described as continuous materials with variable density. The remodeling rule applied to
Analytical system dynamics modeling and simulation
Fabien, Brian C
2008-01-01
This book offering a modeling technique based on Lagrange's energy method includes 125 worked examples. Using this technique enables one to model and simulate systems as diverse as a six-link, closed-loop mechanism or a transistor power amplifier.
Equivalent drawbead model in finite element simulations
Carleer, Bart D.; Carleer, B.D.; Meinders, Vincent T.; Huetink, Han; Lee, J.K.; Kinzel, G.L.; Wagoner, R.
1996-01-01
In 3D simulations of the deep drawing process the drawbead geometries are seldom included. Therefore equivalent drawbeads are used. In order to investigate the drawbead behaviour a 2D plane strain finite element model was used. For verification of this model experiments were performed. The analyses
A simulation model for football championships
Koning, RH; Koolhaas, M; Renes, G; Ridder, G
2003-01-01
In this paper we discuss a simulation/probability model that identifies the team that is most likely to win a tournament. The model can also be used to answer other questions like 'which team bad a lucky draw?' or 'what is the probability that two teams meet at some moment in the tournament?' Input
A simulation model for football championships
Koning, Ruud H.; Koolhaas, Michael; Renes, Gusta
2001-01-01
In this paper we discuss a simulation/probability model that identifies the team that is most likely to win a tournament. The model can also be used to answer other questions like ‘which team had a lucky draw?’ or ‘what is the probability that two teams meet at some moment in the tournament?’. Input
Regularization modeling for large-eddy simulation
Geurts, Bernardus J.; Holm, D.D.
2003-01-01
A new modeling approach for large-eddy simulation (LES) is obtained by combining a "regularization principle" with an explicit filter and its inversion. This regularization approach allows a systematic derivation of the implied subgrid model, which resolves the closure problem. The central role of
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...
Landscape Modelling and Simulation Using Spatial Data
Directory of Open Access Journals (Sweden)
Amjed Naser Mohsin AL-Hameedawi
2017-08-01
Full Text Available In this paper a procedure was performed for engendering spatial model of landscape acclimated to reality simulation. This procedure based on combining spatial data and field measurements with computer graphics reproduced using Blender software. Thereafter that we are possible to form a 3D simulation based on VIS ALL packages. The objective was to make a model utilising GIS, including inputs to the feature attribute data. The objective of these efforts concentrated on coordinating a tolerable spatial prototype, circumscribing facilitation scheme and outlining the intended framework. Thus; the eventual result was utilized in simulation form. The performed procedure contains not only data gathering, fieldwork and paradigm providing, but extended to supply a new method necessary to provide the respective 3D simulation mapping production, which authorises the decision makers as well as investors to achieve permanent acceptance an independent navigation system for Geoscience applications.
Transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto model
Kundu, Prosenjit; Khanra, Pitambar; Hens, Chittaranjan; Pal, Pinaki
2017-11-01
We investigate transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto (SK) model on complex networks both analytically and numerically. We analytically derive self-consistent equations for group angular velocity and order parameter for the model in the thermodynamic limit. Using the self-consistent equations we investigate transition to synchronization in SK model on uncorrelated scale-free (SF) and Erdős-Rényi (ER) networks in detail. Depending on the degree distribution exponent (γ ) of SF networks and phase-frustration parameter, the population undergoes from first-order transition [explosive synchronization (ES)] to second-order transition and vice versa. In ER networks transition is always second order irrespective of the values of the phase-lag parameter. We observe that the critical coupling strength for the onset of synchronization is decreased by phase-frustration parameter in case of SF network where as in ER network, the phase-frustration delays the onset of synchronization. Extensive numerical simulations using SF and ER networks are performed to validate the analytical results. An analytical expression of critical coupling strength for the onset of synchronization is also derived from the self-consistent equations considering the vanishing order parameter limit.
Supporting transitions in medical career pathways: the role of simulation-based education.
Cleland, Jennifer; Patey, Rona; Thomas, Ian; Walker, Kenneth; O'Connor, Paul; Russ, Stephanie
2016-01-01
Transitions, or periods of change, in medical career pathways can be challenging episodes, requiring the transitioning clinician to take on new roles and responsibilities, adapt to new cultural dynamics, change behaviour patterns, and successfully manage uncertainty. These intensive learning periods present risks to patient safety. Simulation-based education (SBE) is a pedagogic approach that allows clinicians to practise their technical and non-technical skills in a safe environment to increase preparedness for practice. In this commentary, we present the potential uses, strengths, and limitations of SBE for supporting transitions across medical career pathways, discussing educational utility, outcome and process evaluation, and cost and value, and introduce a new perspective on considering the gains from SBE. We provide case-study examples of the application of SBE to illustrate these points and stimulate discussion.
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.
The MJO Transition from Shallow to Deep Convection in CloudSat/CALIPSO Data and GISS GCM Simulations
DelGenio, Anthony G.; Chen, Yonghua; Kim, Daehyun; Yao, Mao-Sung
2013-01-01
The relationship between convective penetration depth and tropospheric humidity is central to recent theories of the Madden-Julian oscillation (MJO). It has been suggested that general circulation models (GCMs) poorly simulate the MJO because they fail to gradually moisten the troposphere by shallow convection and simulate a slow transition to deep convection. CloudSat and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) data are analyzed to document the variability of convection depth and its relation to water vapor during the MJO transition from shallow to deep convection and to constrain GCM cumulus parameterizations. Composites of cloud occurrence for 10MJO events show the following anticipatedMJO cloud structure: shallow and congestus clouds in advance of the peak, deep clouds near the peak, and upper-level anvils after the peak. Cirrus clouds are also frequent in advance of the peak. The Advanced Microwave Scanning Radiometer for EarthObserving System (EOS) (AMSR-E) columnwater vapor (CWV) increases by;5 mmduring the shallow- deep transition phase, consistent with the idea of moisture preconditioning. Echo-top height of clouds rooted in the boundary layer increases sharply with CWV, with large variability in depth when CWV is between;46 and 68 mm. International Satellite Cloud Climatology Project cloud classifications reproduce these climatological relationships but correctly identify congestus-dominated scenes only about half the time. A version of the Goddard Institute for Space Studies Model E2 (GISS-E2) GCM with strengthened entrainment and rain evaporation that produces MJO-like variability also reproduces the shallow-deep convection transition, including the large variability of cloud-top height at intermediate CWV values. The variability is due to small grid-scale relative humidity and lapse rate anomalies for similar values of CWV. 1.
Analytical expressions for transition edge sensor excess noise models
International Nuclear Information System (INIS)
Brandt, Daniel; Fraser, George W.
2010-01-01
Transition edge sensors (TESs) are high-sensitivity thermometers used in cryogenic microcalorimeters which exploit the steep gradient in resistivity with temperature during the superconducting phase transition. Practical TES devices tend to exhibit a white noise of uncertain origin, arising inside the device. We discuss two candidate models for this excess noise, phase slip shot noise (PSSN) and percolation noise. We extend the existing PSSN model to include a magnetic field dependence and derive a basic analytical model for percolation noise. We compare the predicted functional forms of the noise current vs. resistivity curves of both models with experimental data and provide a set of equations for both models to facilitate future experimental efforts to clearly identify the source of excess noise.
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 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...
Simulations of transition and turbulence on the Navier-Stokes computer
International Nuclear Information System (INIS)
Krist, S.E.; Zang, T.A.
1987-01-01
The Navier-Stokes Computer (NSC) consists of multiple local memory parallel processors interconnected in a hypercube network. Efficient implementation of algorithms on the NSC thus requires the effective utilization of both the coarse and fine grain paralelism inherent in the architectural design. The basic approach to implementing an algorithm on the NSC is presented herein. The particular finite-difference algorithm considered was developed for performing transition and turbulence simulations by direct solution of the time-dependent incompressible Navier-Stokes equations. The suitability of this algorithm for performing simulations of the isotropic turbulence problem is verified from computations performed on a Cray 2. Projected timing results for the algorithm on the NSC itself are presented for both the isotropic turbulence and laminar turbulent transition problems. 7 references
A queuing model for road traffic simulation
International Nuclear Information System (INIS)
Guerrouahane, N.; Aissani, D.; Bouallouche-Medjkoune, L.; Farhi, N.
2015-01-01
We present in this article a stochastic queuing model for the raod traffic. The model is based on the M/G/c/c state dependent queuing model, and is inspired from the deterministic Godunov scheme for the road traffic simulation. We first propose a variant of M/G/c/c state dependent model that works with density-flow fundamental diagrams rather than density-speed relationships. We then extend this model in order to consider upstream traffic demand as well as downstream traffic supply. Finally, we show how to model a whole raod by concatenating raod sections as in the deterministic Godunov scheme
Quantitative interface models for simulating microstructure evolution
International Nuclear Information System (INIS)
Zhu, J.Z.; Wang, T.; Zhou, S.H.; Liu, Z.K.; Chen, L.Q.
2004-01-01
To quantitatively simulate microstructural evolution in real systems, we investigated three different interface models: a sharp-interface model implemented by the software DICTRA and two diffuse-interface models which use either physical order parameters or artificial order parameters. A particular example is considered, the diffusion-controlled growth of a γ ' precipitate in a supersaturated γ matrix in Ni-Al binary alloys. All three models use the thermodynamic and kinetic parameters from the same databases. The temporal evolution profiles of composition from different models are shown to agree with each other. The focus is on examining the advantages and disadvantages of each model as applied to microstructure evolution in alloys
Experimental Study of Transitional Flow Behavior in a Simulated Low Pressure Turbine
Sohn, Ki Hyeon; DeWitt, Kenneth J.
2007-01-01
A detailed investigation of the flow physics occurring on the suction side of a simulated Low Pressure Turbine (LPT) blade was performed. A contoured upper wall was designed to simulate the pressure distribution of an actual LPT airfoil onto a flat lower plate. The experiments were carried out for the Reynolds numbers of 35,000, 70,000, 100,000, and 250,000 with four levels of freestream turbulence ranging from 1 to 4 percent. For the three lower Reynolds numbers, the boundary layer on the flat plate was separated and formed a bubble. The size of laminar separation bubble was measured to be inversely proportional to the freestream turbulence levels and Reynolds numbers. However, no separation was observed for the Re = 250,000 case. The transition on a separated flow was found to proceed through the formation of turbulent spots in the free shear layer as evidenced in the intermittency profiles for Re = 35,000, 70,000, and 100,000. Spectral data show no evidence of Kelvin-Helmholtz of Tollmien-Schlichting instability waves in the free shear layer over a separation bubble (bypass transition). However, the flow visualization revealed the large vortex structures just outside of the bubble and their development to turbulent flow for Re = 50,000, which is similar to that in the free shear layer (separated-flow transition). Therefore, it is fair to say that the bypass and separated-flow transition modes coexist in the transition flows over the separation bubble of certain conditions. Transition onset and end locations and length determined from intermittency profiles decreased as Reynolds number and freestream turbulence levels increase.
Developments in the Transition From Animal Use to Simulation-Based Biomedical Education.
Pawlowski, John B; Feinstein, David M; Gala, Shalin G
2018-04-18
There has been a significant shift from the use of animals in biomedical training exercises toward simulation-based education methods. The transition has been driven by technological advances, empirical evidence of improved student outcomes, cost-effectiveness, and a growing concern for the welfare of animals. These factors have spurred policy changes worldwide in how medical and science curricula are delivered. We detail how some of these policy changes evolved and comment on the future direction of simulation-based education and its implications for healthcare providers, instructors, and the general public.
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.
Cost Effective Community Based Dementia Screening: A Markov Model Simulation
Directory of Open Access Journals (Sweden)
Erin Saito
2014-01-01
Full Text Available Background. Given the dementia epidemic and the increasing cost of healthcare, there is a need to assess the economic benefit of community based dementia screening programs. Materials and Methods. Markov model simulations were generated using data obtained from a community based dementia screening program over a one-year period. The models simulated yearly costs of caring for patients based on clinical transitions beginning in pre dementia and extending for 10 years. Results. A total of 93 individuals (74 female, 19 male were screened for dementia and 12 meeting clinical criteria for either mild cognitive impairment (n=7 or dementia (n=5 were identified. Assuming early therapeutic intervention beginning during the year of dementia detection, Markov model simulations demonstrated 9.8% reduction in cost of dementia care over a ten-year simulation period, primarily through increased duration in mild stages and reduced time in more costly moderate and severe stages. Discussion. Community based dementia screening can reduce healthcare costs associated with caring for demented individuals through earlier detection and treatment, resulting in proportionately reduced time in more costly advanced stages.
An Ordered Regression Model to Predict Transit Passengers’ Behavioural Intentions
Energy Technology Data Exchange (ETDEWEB)
Oña, J. de; Oña, R. de; Eboli, L.; Forciniti, C.; Mazzulla, G.
2016-07-01
Passengers’ behavioural intentions after experiencing transit services can be viewed as signals that show if a customer continues to utilise a company’s service. Users’ behavioural intentions can depend on a series of aspects that are difficult to measure directly. More recently, transit passengers’ behavioural intentions have been just considered together with the concepts of service quality and customer satisfaction. Due to the characteristics of the ways for evaluating passengers’ behavioural intentions, service quality and customer satisfaction, we retain that this kind of issue could be analysed also by applying ordered regression models. This work aims to propose just an ordered probit model for analysing service quality factors that can influence passengers’ behavioural intentions towards the use of transit services. The case study is the LRT of Seville (Spain), where a survey was conducted in order to collect the opinions of the passengers about the existing transit service, and to have a measure of the aspects that can influence the intentions of the users to continue using the transit service in the future. (Author)
Directory of Open Access Journals (Sweden)
Jin Su
2017-11-01
Full Text Available Elastic instabilities could happen in viscoelastic flows as the Weissenberg number is enlarged, and this phenomenon makes the numerical simulation of viscoelastic fluids more difficult. In this study, we introduce a coupled lattice Boltzmann method to solve the equations of viscoelastic fluids, which has a great capability of simulating the high Weissenberg number problem. Different from some traditional methods, two kinds of distribution functions are defined respectively for the evolution of the momentum and stress tensor equations. We mainly aim to investigate some key factors of the symmetry-breaking transition induced by elastic instability of viscoelastic fluids using this numerical coupled lattice Boltzmann method. In the results, we firstly find that the ratio of kinematical viscosity has an important influence on the transition of the elastic instability; the transition between the single stationary and cycling dominant vortex can be controlled via changing the ratio of kinematical viscosity in a periodic extensional flow. Finally, we can also observe a new transition state of instability for the flow showing the banded structure at higher Weissenberg number.
Fernandez, P.; Nguyen, N. C.; Peraire, J.
2017-05-01
We present a high-order Implicit Large-Eddy Simulation (ILES) approach for transitional aerodynamic flows. The approach encompasses a hybridized Discontinuous Galerkin (DG) method for the discretization of the Navier-Stokes (NS) equations, and a parallel preconditioned Newton-GMRES solver for the resulting nonlinear system of equations. The combination of hybridized DG methods with an efficient solution procedure leads to a high-order accurate NS solver that is competitive to alternative approaches, such as finite volume and finite difference codes, in terms of computational cost. The proposed approach is applied to transitional flows over the NACA 65-(18)10 compressor cascade and the Eppler 387 wing at Reynolds numbers up to 460,000. Grid convergence studies are presented and the required resolution to capture transition at different Reynolds numbers is investigated. Numerical results show rapid convergence and excellent agreement with experimental data. In short, this work aims to demonstrate the potential of high-order ILES for simulating transitional aerodynamic flows. This is illustrated through numerical results and supported by theoretical considerations.
Lattice Boltzmann modeling and simulation of liquid jet breakup
Saito, Shimpei; Abe, Yutaka; Koyama, Kazuya
2017-07-01
A three-dimensional color-fluid lattice Boltzmann model for immiscible two-phase flows is developed in the framework of a three-dimensional 27-velocity (D3Q27) lattice. The collision operator comprises the D3Q27 versions of three suboperators: a multiple-relaxation-time (MRT) collision operator, a generalized Liu-Valocchi-Kang perturbation operator, and a Latva-Kokko-Rothman recoloring operator. A D3Q27 version of an enhanced equilibrium distribution function is also incorporated into this model to improve the Galilean invariance. Three types of numerical tests, namely, a static droplet, an oscillating droplet, and the Rayleigh-Taylor instability, show a good agreement with analytical solutions and numerical simulations. Following these numerical tests, this model is applied to liquid-jet-breakup simulations. The simulation conditions are matched to the conditions of the previous experiments. In this case, numerical stability is maintained throughout the simulation, although the kinematic viscosity for the continuous phase is set as low as 1.8 ×10-4 , in which case the corresponding Reynolds number is 3.4 ×103 ; the developed lattice Boltzmann model based on the D3Q27 lattice enables us to perform the simulation with parameters directly matched to the experiments. The jet's liquid column transitions from an asymmetrical to an axisymmetrical shape, and entrainment occurs from the side of the jet. The measured time history of the jet's leading-edge position shows a good agreement with the experiments. Finally, the reproducibility of the regime map for liquid-liquid systems is assessed. The present lattice Boltzmann simulations well reproduce the characteristics of predicted regimes, including varicose breakup, sinuous breakup, and atomization.
Ab initio modelling of transition metals in diamond
International Nuclear Information System (INIS)
Watkins, M; Mainwood, A
2003-01-01
Transition metals (TM) from the first transition series are commonly used as solvent catalysts in the synthesis of diamond by high pressure, high temperature processes. Ab initio calculations on these metals, in finite clusters of tetrahedrally coordinated carbon, enable us to investigate trends in their stability and properties. By carrying out systematic studies of interstitial, substitutional and semi-vacancy TM defects, we show that the electronic structure of the TMs is complicated by the presence of 'dangling bonds' when the TM disrupts the crystal lattice: interstitial defects conform to the Ludwig-Woodbury (LW) model, whilst substitutional and semi-vacancy defects move from approximating the LW model early in the transition series to approaching the vacancy model for the heavier metals. Multi-configurational self-consistent field methods allow genuine many-electron states to be modelled; for neutral interstitial, and all substitutional TMs, the crystal fields are found to exceed the exchange energies in strength. Consequently, low spin states are found for these defects. We find substitutional defects to be the most stable, but that semi-vacancy TMs are very similar in energy to the substitutional defects late in the transition series; interstitial defects are only metastable in diamond. Given appropriate charge compensators neutral and positively charged interstitial TM defects were stable, while negatively charged species appeared to be strongly disfavoured
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...
Long time behaviour of a singular phase transition model
Czech Academy of Sciences Publication Activity Database
Krejčí, Pavel; Sprekels, J.
2006-01-01
Roč. 15, č. 4 (2006), s. 1119-1135 ISSN 1078-0947 Institutional research plan: CEZ:AV0Z10190503 Keywords : phase transition * nonlocal model * integrodifferential heat equation Subject RIV: BA - General Mathematics Impact factor: 1.087, year: 2006
The electroweak phase transition in models with gauge singlets
International Nuclear Information System (INIS)
Ahriche, A.
2007-01-01
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 Ω(T c )/T c >or similar 1, where Ω = (v 2 + (x - x 0 ) 2 ) ( 1)/(2) and x(x 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 c /T 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.)
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.)
SPOTROD: Semi-analytic model for transits of spotted stars
Béky, Bence
2014-11-01
SPOTROD is a model for planetary transits of stars with an arbitrary limb darkening law and a number of homogeneous, circular spots on their surface. It facilitates analysis of anomalies due to starspot eclipses, and is a free, open source implementation written in C with a Python API.
Employment, Production and Consumption model: Patterns of phase transitions
Czech Academy of Sciences Publication Activity Database
Lavička, H.; Lin, L.; Novotný, Jan
2010-01-01
Roč. 389, č. 8 (2010), s. 1708-1720 ISSN 0378-4371 Institutional research plan: CEZ:AV0Z10480505 Keywords : EPC * Agent based model * Phase transition Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.521, year: 2010
Suzen, Y. B.; Huang, P. G.
2005-01-01
A transport equation for the intermittency factor is employed to predict transitional flows under the effects of pressure gradients, freestream turbulence intensities, Reynolds number variations, flow separation and reattachment. and unsteady wake-blade interactions representing diverse operating conditions encountered in low-pressure turbines. The intermittent behaviour of the transitional flows is taken into account and incorporated into computations by modifying the eddy viscosity, Mu(sub t), with the intermittency factor, gamma. Turbulent quantities are predicted by using Menter's two-equation turbulence model (SST). The onset location of transition is obtained from correlations based on boundary-layer momentum thickness, acceleration parameter, and turbulence intensity. The intermittency factor is obtained from a transport model which can produce both the experimentally observed streamwise variation of intermittency and a realistic profile in the cross stream direction. The intermittency transport model is tested and validated against several well documented low pressure turbine experiments ranging from flat plate cases to unsteady wake-blade interaction experiments. Overall, good agreement between the experimental data and computational results is obtained illustrating the predicting capabilities of the model and the current intermittency transport modelling approach for transitional flow simulations.
Kreck, Cara A; Mancera, Ricardo L
2014-02-20
Molecular dynamics simulations allow detailed study of the experimentally inaccessible liquid state of supercooled water below its homogeneous nucleation temperature and the characterization of the glass transition. Simple, nonpolarizable intermolecular potentials are commonly used in classical molecular dynamics simulations of water and aqueous systems due to their lower computational cost and their ability to reproduce a wide range of properties. Because the quality of these predictions varies between the potentials, the predicted glass transition of water is likely to be influenced by the choice of potential. We have thus conducted an extensive comparative investigation of various three-, four-, five-, and six-point water potentials in both the NPT and NVT ensembles. The T(g) predicted from NPT simulations is strongly correlated with the temperature of minimum density, whereas the maximum in the heat capacity plot corresponds to the minimum in the thermal expansion coefficient. In the NVT ensemble, these points are instead related to the maximum in the internal pressure and the minimum of its derivative, respectively. A detailed analysis of the hydrogen-bonding properties at the glass transition reveals that the extent of hydrogen-bonds lost upon the melting of the glassy state is related to the height of the heat capacity peak and varies between water potentials.
Analyzing Strategic Business Rules through Simulation Modeling
Orta, Elena; Ruiz, Mercedes; Toro, Miguel
Service Oriented Architecture (SOA) holds promise for business agility since it allows business process to change to meet new customer demands or market needs without causing a cascade effect of changes in the underlying IT systems. Business rules are the instrument chosen to help business and IT to collaborate. In this paper, we propose the utilization of simulation models to model and simulate strategic business rules that are then disaggregated at different levels of an SOA architecture. Our proposal is aimed to help find a good configuration for strategic business objectives and IT parameters. The paper includes a case study where a simulation model is built to help business decision-making in a context where finding a good configuration for different business parameters and performance is too complex to analyze by trial and error.
Applications of neural networks to the studies of phase transitions of two-dimensional Potts models
Li, C.-D.; Tan, D.-R.; Jiang, F.-J.
2018-04-01
We study the phase transitions of two-dimensional (2D) Q-states Potts models on the square lattice, using the first principles Monte Carlo (MC) simulations as well as the techniques of neural networks (NN). We demonstrate that the ideas from NN can be adopted to study these considered phase transitions efficiently. In particular, even with a simple NN constructed in this investigation, we are able to obtain the relevant information of the nature of these phase transitions, namely whether they are first order or second order. Our results strengthen the potential applicability of machine learning in studying various states of matters. Subtlety of applying NN techniques to investigate many-body systems is briefly discussed as well.
A particle based simulation model for glacier dynamics
Directory of Open Access Journals (Sweden)
J. A. Åström
2013-10-01
Full Text Available A particle-based computer simulation model was developed for investigating the dynamics of glaciers. In the model, large ice bodies are made of discrete elastic particles which are bound together by massless elastic beams. These beams can break, which induces brittle behaviour. At loads below fracture, beams may also break and reform with small probabilities to incorporate slowly deforming viscous behaviour in the model. This model has the advantage that it can simulate important physical processes such as ice calving and fracturing in a more realistic way than traditional continuum models. For benchmarking purposes the deformation of an ice block on a slip-free surface was compared to that of a similar block simulated with a Finite Element full-Stokes continuum model. Two simulations were performed: (1 calving of an ice block partially supported in water, similar to a grounded marine glacier terminus, and (2 fracturing of an ice block on an inclined plane of varying basal friction, which could represent transition to fast flow or surging. Despite several approximations, including restriction to two-dimensions and simplified water-ice interaction, the model was able to reproduce the size distributions of the debris observed in calving, which may be approximated by universal scaling laws. On a moderate slope, a large ice block was stable and quiescent as long as there was enough of friction against the substrate. For a critical length of frictional contact, global sliding began, and the model block disintegrated in a manner suggestive of a surging glacier. In this case the fragment size distribution produced was typical of a grinding process.
Evidence for plasma phase transition in high pressure hydrogen from ab-initio simulations
Energy Technology Data Exchange (ETDEWEB)
Morales, M; Pierleoni, C; Schwegler, E; Ceperley, D
2010-02-08
We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics.
Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi
Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.
2016-01-01
For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.
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.
Li, Wenjin
2018-02-01
Transition path ensemble consists of reactive trajectories and possesses all the information necessary for the understanding of the mechanism and dynamics of important condensed phase processes. However, quantitative description of the properties of the transition path ensemble is far from being established. Here, with numerical calculations on a model system, the equipartition terms defined in thermal equilibrium were for the first time estimated in the transition path ensemble. It was not surprising to observe that the energy was not equally distributed among all the coordinates. However, the energies distributed on a pair of conjugated coordinates remained equal. Higher energies were observed to be distributed on several coordinates, which are highly coupled to the reaction coordinate, while the rest were almost equally distributed. In addition, the ensemble-averaged energy on each coordinate as a function of time was also quantified. These quantitative analyses on energy distributions provided new insights into the transition path ensemble.
Energy Technology Data Exchange (ETDEWEB)
Libert, M.; Rey, C. [Ecole Centrale de Paris, Lab. MSSMat, 92 - Chatenay Malabry (France); Libert, M.; Marini, B. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/SAC/DMN/SRMA), 91 - Gif sur Yvette (France)
2006-07-01
The objective of this study is to take into account the effect of plasticity mechanisms on the ductile/brittle transition in low alloy steels of PWR reactor vessels. A crystalline plasticity model, describing the effect of temperature on the behaviour, has been implemented in a large transformation frame. The material parameters of the model have been determined experimentally and from mechanical tests using an inverse method. Simulations of polycrystalline aggregates have been performed with imposed triaxiality. The study of local heterogeneities shows that the distribution of main stress can be modeled using a distribution of extreme values of first species (Gumbel) and that the parameters of this distribution can be simply described as a function of {sigma}{sub mises} (the average equivalent stress) and T (temperature). This approach will allow to introduce the effect of these heterogeneities in a local approach criterion of rupture. (J.S.)
Application of transition modelling in CFD for use with turbine blades
CSIR Research Space (South Africa)
Dunn, Dwain I
2011-09-01
Full Text Available achieved by the addition of the transition model (as in the boundary layer and Spalart-Allmaras with transition) compared to those without (Yang-shih k-e and Spalart-Allmaras without transition)....
Nuclear reactor core modelling in multifunctional simulators
Energy Technology Data Exchange (ETDEWEB)
Puska, E.K. [VTT Energy, Nuclear Energy, Espoo (Finland)
1999-06-01
The thesis concentrates on the development of nuclear reactor core models for the APROS multifunctional simulation environment and the use of the core models in various kinds of applications. The work was started in 1986 as a part of the development of the entire APROS simulation system. The aim was to create core models that would serve in a reliable manner in an interactive, modular and multifunctional simulator/plant analyser environment. One-dimensional and three-dimensional core neutronics models have been developed. Both models have two energy groups and six delayed neutron groups. The three-dimensional finite difference type core model is able to describe both BWR- and PWR-type cores with quadratic fuel assemblies and VVER-type cores with hexagonal fuel assemblies. The one- and three-dimensional core neutronics models can be connected with the homogeneous, the five-equation or the six-equation thermal hydraulic models of APROS. The key feature of APROS is that the same physical models can be used in various applications. The nuclear reactor core models of APROS have been built in such a manner that the same models can be used in simulator and plant analyser applications, as well as in safety analysis. In the APROS environment the user can select the number of flow channels in the three-dimensional reactor core and either the homogeneous, the five- or the six-equation thermal hydraulic model for these channels. The thermal hydraulic model and the number of flow channels have a decisive effect on the calculation time of the three-dimensional core model and thus, at present, these particular selections make the major difference between a safety analysis core model and a training simulator core model. The emphasis on this thesis is on the three-dimensional core model and its capability to analyse symmetric and asymmetric events in the core. The factors affecting the calculation times of various three-dimensional BWR, PWR and WWER-type APROS core models have been
batman: BAsic Transit Model cAlculatioN in Python
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 .
Dissipative phase transition in the open quantum Rabi model
Hwang, Myung-Joong; Rabl, Peter; Plenio, Martin B.
2018-01-01
We demonstrate that the open quantum Rabi model (QRM) exhibits a second-order dissipative phase transition (DPT) and propose a method to observe this transition with trapped ions. The interplay between the ultrastrong qubit-oscillator coupling and the oscillator damping brings the system into a steady state with a diverging number of excitations, in which a DPT is allowed to occur even with a finite number of system components. The universality class of the open QRM, modified from the closed QRM by a Markovian bath, is identified by finding critical exponents and scaling functions using the Keldysh functional integral approach. We propose to realize the open QRM with two trapped ions where the coherent coupling and the rate of dissipation can be individually controlled and adjusted over a wide range. Thanks to this controllability, our work opens a possibility to investigate potentially rich dynamics associated with a dissipative phase transition.
The Role of Model Configuration in Simulating Spring Final Warming
McDaniel, B.
2017-12-01
The author performs a study of the relation between stratospheric final warmings (SFWs) and the climatological flow of the stratosphere and boreal extratropical tropospheric circulation. In contrast to the climatological seasonal cycle, SFW events noticeably sharpen the annual weakening of high-latitude circumpolar westerlies in both the stratosphere and troposphere. SFW events provide a strong organizing influence upon the large-scale circulation of the stratosphere and troposphere during the period of spring onset and are an important feature to assess the ability of a model to accurately reproduce observed variability. The ability of state-of-the-art climate models to accurately represent the transition of the stratosphere is crucial in accurately simulating variability in the stratosphere and stratosphere-troposphere interactions. To assess the veracity of stratospheric simulations in current models, a suite of runs from different members of the CMIP5 experiment are analyzed. For each model, the average date of spring onset as well as other descriptive statistics are calculated as well as the composite evolution of zonal wind anomalies and temperature and geopotential heights as they propagate from the stratosphere down to the surface. These composite patterns are then compared with the canonical evolution as based on observations. These results are binned separately based on the stratospheric resolution of the model (so called high-top and low-top models) as well as the strength of the climatological wintertime polar vortex to identify biases present in different classes of the models.
Kanban simulation model for production process optimization
Directory of Open Access Journals (Sweden)
Golchev Riste
2015-01-01
Full Text Available A long time has passed since the KANBAN system has been established as an efficient method for coping with the excessive inventory. Still, the possibilities for its improvement through its integration with other different approaches should be investigated further. The basic research challenge of this paper is to present benefits of KANBAN implementation supported with Discrete Event Simulation (DES. In that direction, at the beginning, the basics of KANBAN system are presented with emphasis on the information and material flow, together with a methodology for implementation of KANBAN system. Certain analysis on combining the simulation with this methodology is presented. The paper is concluded with a practical example which shows that through understanding the philosophy of the implementation methodology of KANBAN system and the simulation methodology, a simulation model can be created which can serve as a basis for a variety of experiments that can be conducted within a short period of time, resulting with production process optimization.
Vermont Yankee simulator BOP model upgrade
International Nuclear Information System (INIS)
Alejandro, R.; Udbinac, M.J.
2006-01-01
The Vermont Yankee simulator has undergone significant changes in the 20 years since the original order was placed. After the move from the original Unix to MS Windows environment, and upgrade to the latest version of SimPort, now called MASTER, the platform was set for an overhaul and replacement of major plant system models. Over a period of a few months, the VY simulator team, in partnership with WSC engineers, replaced outdated legacy models of the main steam, condenser, condensate, circulating water, feedwater and feedwater heaters, and main turbine and auxiliaries. The timing was ideal, as the plant was undergoing a power up-rate, so the opportunity was taken to replace the legacy models with industry-leading, true on-line object oriented graphical models. Due to the efficiency of design and ease of use of the MASTER tools, VY staff performed the majority of the modeling work themselves with great success, with only occasional assistance from WSC, in a relatively short time-period, despite having to maintain all of their 'regular' simulator maintenance responsibilities. This paper will provide a more detailed view of the VY simulator, including how it is used and how it has benefited from the enhancements and upgrades implemented during the project. (author)
Absorbing phase transitions in deterministic fixed-energy sandpile models
Park, Su-Chan
2018-03-01
We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010), 10.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.
DETAILED CHEMICAL KINETIC MODELING OF ISO-OCTANE SI-HCCI TRANSITION
Energy Technology Data Exchange (ETDEWEB)
Havstad, M A; Aceves, S M; McNenly, M J; Piggott, W T; Edwards, K D; Wagner, R M; Daw, C S; Finney, C A
2009-10-12
The authors describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (ST) combustion to homogeneous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study they assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scneario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. They find that the model captures many of the important experimental trends, including stable SI combustion at low EGR ({approx} 0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR ({approx} 0.75). Remaining differences between the predicted and experimental instability patterns indicate that there is further room for model improvement.
Simulations of the L-H transition on experimental advanced superconducting Tokamak
International Nuclear Information System (INIS)
Weiland, Jan
2014-01-01
We have simulated the L-H transition on the EAST tokamak [Baonian Wan, EAST and HT-7 Teams, and International Collaborators, “Recent experiments in the EAST and HT-7 superconducting tokamaks,” Nucl. Fusion 49, 104011 (2009)] using a predictive transport code where ion and electron temperatures, electron density, and poloidal and toroidal momenta are simulated self consistently. This is, as far as we know, the first theory based simulation of an L-H transition including the whole radius and not making any assumptions about where the barrier should be formed. Another remarkable feature is that we get H-mode gradients in agreement with the α – α d diagram of Rogers et al. [Phys. Rev. Lett. 81, 4396 (1998)]. Then, the feedback loop emerging from the simulations means that the L-H power threshold increases with the temperature at the separatrix. This is a main feature of the C-mod experiments [Hubbard et al., Phys. Plasmas 14, 056109 (2007)]. This is also why the power threshold depends on the direction of the grad B drift in the scrape off layer and also why the power threshold increases with the magnetic field. A further significant general H-mode feature is that the density is much flatter in H-mode than in L-mode
Quantum Monte Carlo simulation for S=1 Heisenberg model with uniaxial anisotropy
International Nuclear Information System (INIS)
Tsukamoto, Mitsuaki; Batista, Cristian; Kawashima, Naoki
2007-01-01
We perform quantum Monte Carlo simulations for S=1 Heisenberg model with an uniaxial anisotropy. The system exhibits a phase transition as we vary the anisotropy and a long range order appears at a finite temperature when the exchange interaction J is comparable to the uniaxial anisotropy D. We investigate quantum critical phenomena of this model and obtain the line of the phase transition which approaches a power-law with logarithmic corrections at low temperature. We derive the form of logarithmic corrections analytically and compare it to our simulation results
Lattice Boltzmann Simulations in the Slip and Transition Flow Regime with the Peano Framework
Neumann, Philipp
2012-01-01
We present simulation results of flows in the finite Knudsen range, which is in the slip and transition flow regime. Our implementations are based on the Lattice Boltzmann method and are accomplished within the Peano framework. We validate our code by solving two- and three-dimensional channel flow problems and compare our results with respective experiments from other research groups. We further apply our Lattice Boltzmann solver to the geometrical setup of a microreactor consisting of differently sized channels and a reactor chamber. Here, we apply static adaptive grids to fur-ther reduce computational costs. We further investigate the influence of using a simple BGK collision kernel in coarse grid regions which are further away from the slip boundaries. Our results are in good agreement with theory and non-adaptive simulations, demonstrating the validity and the capabilities of our adaptive simulation software for flow problems at finite Knudsen numbers.
TRANSFORM - TRANsient Simulation Framework of Reconfigurable Models
Energy Technology Data Exchange (ETDEWEB)
2017-09-01
Existing development tools for early stage design and scoping of energy systems are often time consuming to use, proprietary, and do not contain the necessary function to model complete systems (i.e., controls, primary, and secondary systems) in a common platform. The Modelica programming language based TRANSFORM tool (1) provides a standardized, common simulation environment for early design of energy systems (i.e., power plants), (2) provides a library of baseline component modules to be assembled into full plant models using available geometry, design, and thermal-hydraulic data, (3) defines modeling conventions for interconnecting component models, and (4) establishes user interfaces and support tools to facilitate simulation development (i.e., configuration and parameterization), execution, and results display and capture.
Biological transportation networks: Modeling and simulation
Albi, Giacomo
2015-09-15
We present a model for biological network formation originally introduced by Cai and Hu [Adaptation and optimization of biological transport networks, Phys. Rev. Lett. 111 (2013) 138701]. The modeling of fluid transportation (e.g., leaf venation and angiogenesis) and ion transportation networks (e.g., neural networks) is explained in detail and basic analytical features like the gradient flow structure of the fluid transportation network model and the impact of the model parameters on the geometry and topology of network formation are analyzed. We also present a numerical finite-element based discretization scheme and discuss sample cases of network formation simulations.
A universal simulator for ecological models
DEFF Research Database (Denmark)
Holst, Niels
2013-01-01
Software design is an often neglected issue in ecological models, even though bad software design often becomes a hindrance for re-using, sharing and even grasping an ecological model. In this paper, the methodology of agile software design was applied to the domain of ecological models. Thus...... the principles for a universal design of ecological models were arrived at. To exemplify this design, the open-source software Universal Simulator was constructed using C++ and XML and is provided as a resource for inspiration....
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...
preliminary multidomain modelling and simulation study
African Journals Online (AJOL)
user
PRELIMINARY MULTIDOMAIN MODELLING AND SIMULATION STUDY OF A. HORIZONTAL AXIS WIND TURBINE (HAWT) TOWER VIBRATION. I. lliyasu1, I. Iliyasu2, I. K. Tanimu3 and D. O Obada4. 1,4 DEPARTMENT OF MECHANICAL ENGINEERING, AHMADU BELLO UNIVERSITY, ZARIA, KADUNA STATE. NIGERIA.
Reproducibility in Computational Neuroscience Models and Simulations
McDougal, Robert A.; Bulanova, Anna S.; Lytton, William W.
2016-01-01
Objective Like all scientific research, computational neuroscience research must be reproducible. Big data science, including simulation research, cannot depend exclusively on journal articles as the method to provide the sharing and transparency required for reproducibility. Methods Ensuring model reproducibility requires the use of multiple standard software practices and tools, including version control, strong commenting and documentation, and code modularity. Results Building on these standard practices, model sharing sites and tools have been developed that fit into several categories: 1. standardized neural simulators, 2. shared computational resources, 3. declarative model descriptors, ontologies and standardized annotations; 4. model sharing repositories and sharing standards. Conclusion A number of complementary innovations have been proposed to enhance sharing, transparency and reproducibility. The individual user can be encouraged to make use of version control, commenting, documentation and modularity in development of models. The community can help by requiring model sharing as a condition of publication and funding. Significance Model management will become increasingly important as multiscale models become larger, more detailed and correspondingly more difficult to manage by any single investigator or single laboratory. Additional big data management complexity will come as the models become more useful in interpreting experiments, thus increasing the need to ensure clear alignment between modeling data, both parameters and results, and experiment. PMID:27046845
Thermohydraulic modeling and simulation of breeder reactors
International Nuclear Information System (INIS)
Agrawal, A.K.; Khatib-Rahbar, M.; Curtis, R.T.; Hetrick, D.L.; Girijashankar, P.V.
1982-01-01
This paper deals with the modeling and simulation of system-wide transients in LMFBRs. Unprotected events (i.e., the presumption of failure of the plant protection system) leading to core-melt are not considered in this paper. The existing computational capabilities in the area of protected transients in the US are noted. Various physical and numerical approximations that are made in these codes are discussed. Finally, the future direction in the area of model verification and improvements is discussed
Analysis of Intelligent Transportation Systems Using Model-Driven Simulations
Directory of Open Access Journals (Sweden)
Alberto Fernández-Isabel
2015-06-01
Full Text Available Intelligent Transportation Systems (ITSs integrate information, sensor, control, and communication technologies to provide transport related services. Their users range from everyday commuters to policy makers and urban planners. Given the complexity of these systems and their environment, their study in real settings is frequently unfeasible. Simulations help to address this problem, but present their own issues: there can be unintended mistakes in the transition from models to code; their platforms frequently bias modeling; and it is difficult to compare works that use different models and tools. In order to overcome these problems, this paper proposes a framework for a model-driven development of these simulations. It is based on a specific modeling language that supports the integrated specification of the multiple facets of an ITS: people, their vehicles, and the external environment; and a network of sensors and actuators conveniently arranged and distributed that operates over them. The framework works with a model editor to generate specifications compliant with that language, and a code generator to produce code from them using platform specifications. There are also guidelines to help researchers in the application of this infrastructure. A case study on advanced management of traffic lights with cameras illustrates its use.
Improved-Delayed-Detached-Eddy Simulation of cavity-induced transition in hypersonic boundary layer
International Nuclear Information System (INIS)
Xiao, Lianghua; Xiao, Zhixiang; Duan, Zhiwei; Fu, Song
2015-01-01
Highlights: • This work is about hypersonic cavity-induced transition with IDDES approach. • The length-to-width-to-depth ratio of the cavity is 19.9:3.57:1 at AoA −10° and −15°. • Flow remains laminar at −10°, transition occurs at −15° and cavity changed from open to close type. • Streamwise vortices, impingement shock, traveling shocks and exit shock are observed. • Breakdown of these vortices triggering rapid flow transition. - Abstract: Hypersonic flow transition from laminar to turbulent due to the surface irregularities, like local cavities, can greatly affect the surface heating and skin friction. In this work, the hypersonic flows over a three-dimensional rectangular cavity with length-to-width-to-depth ratio, L:W:D, of 19.9:3.57:1 at two angles of attack (AoA) were numerically studied with Improved-Delayed-Detached-Eddy Simulation (IDDES) method to highlight the mechanism of transition triggered by the cavity. The present approach was firstly applied to the transonic flow over M219 rectangular cavity. The results, including the fluctuating pressure and frequency, agreed with experiment well. In the hypersonic case at Mach number about 9.6 the cavity is seen as “open” at AoA of −10° but “closed” at AoA of −15° unconventional to the two-dimensional cavity case where the flow always exhibits closed cavity feature when the length-to-depth ratio L/D is larger than 14. For the open cavity flow, the shear layer is basically steady and the flow maintains laminar. For the closed cavity case, the external flow goes into the cavity and impinges on the bottom floor. High intensity streamwise vortices, impingement shock and exit shock are observed causing breakdown of these vortices triggering rapid flow transition
Molecular simulation of the pressure-induced crystallographic phase transition of p-terphenyl.
Schatschneider, Bohdan; Chronister, Eric L
2011-01-27
The pressure- and temperature-induced polymorphic crystal phase transitions of p-terphenyl (PTP) have been modeled using a modified PCFF interaction force field. Modifications of the interaction potential were necessary to simultaneously model both the temperature-induced phase transition at ambient pressure and the pressure-induced phase transition at low temperature. Although the high-temperature and high-pressure phases are both characterized by flattening of the PTP molecule, the mechanisms of the temperature- and pressure-induced phase transitions are different. At high temperature thermal energy exceeds the torsional barrier, resulting in a bimodal phenyl ring twist angle distribution that averages to zero. In contrast, compression of PTP at high pressure results in a static planar structure. At high pressure the compression of the unit cell is also characterized by large compression of the a lattice parameter and weak compression of c, but some expansion of the b lattice parameter. The expansion of the b lattice parameter is likely associated with pressure-induced soft mode behavior of some lattice vibrations as well as soft mode behavior of pseudolocal phonons associated with impurities in PTP. The crystallographic angles α, β, and γ also indicate a triclinic crystal phase above the critical phase transition pressure of P(c) ~ 0.5 GPa at low temperature, suggesting a distinct phase separate from the monoclinic high-pressure phase at high temperature.
Monte Carlo simulation of the surface magnetic phase transition in chromium
International Nuclear Information System (INIS)
Mata, G.J.; Valera, M.
1995-03-01
Antiferromagnetic chromium is known to have a surface magnetic phase transition at a temperature T s = 780K, which is well above its bulk Neel temperature, T N = 311K. Electronic structure calculations predict an enhancement of the magnetic moment at the surface, due to changes in the local electronic environment. In order to ascertain the role of such an enhancement in the surface magnetic transition, we have modelled the surface by means of a classical Heisenberg model in which: a) the magnitude of a given spin is equal to the value of the corresponding magnetic moment predicted by band structure calculations, b) the exchange interaction J between spins is the same throughout the system, and c) the exchange interaction is chosen so as to reproduce the bulk transition temperature. We find a ratio of surface to bulk transition temperature of T S /T N = 2.5, which is an excellent agreement with the experimental result. Our results suggest that the surface magnetic transition in chromium is driven by fluctuations in the orientation of the magnetic moments and that quantum fluctuations play a minor role. (author). 18 refs, 5 figs
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. TRANSIT. SYSTEM: DETERMINE 2D-POSITION GLOBALLY BUT INTERMITTENT (POST-FACTO). IMPROVED ACCURACY. PRINCIPLE: POLAR SATELLITES WITH INNOVATIONS OF: GRAVITY-GRADIENT ATTITUDE CONTROL; DRAG COMPENSATION. WORKS ...
Twitter's tweet method modelling and simulation
Sarlis, Apostolos S.; Sakas, Damianos P.; Vlachos, D. S.
2015-02-01
This paper seeks to purpose the concept of Twitter marketing methods. The tools that Twitter provides are modelled and simulated using iThink in the context of a Twitter media-marketing agency. The paper has leveraged the system's dynamic paradigm to conduct Facebook marketing tools and methods modelling, using iThink™ system to implement them. It uses the design science research methodology for the proof of concept of the models and modelling processes. The following models have been developed for a twitter marketing agent/company and tested in real circumstances and with real numbers. These models were finalized through a number of revisions and iterators of the design, develop, simulate, test and evaluate. It also addresses these methods that suit most organized promotion through targeting, to the Twitter social media service. The validity and usefulness of these Twitter marketing methods models for the day-to-day decision making are authenticated by the management of the company organization. It implements system dynamics concepts of Twitter marketing methods modelling and produce models of various Twitter marketing situations. The Tweet method that Twitter provides can be adjusted, depending on the situation, in order to maximize the profit of the company/agent.
Jurenko, Robert J.; Bush, T. Jason; Ottander, John A.
2014-01-01
A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes both quadratically constrained least squares (LSQI) and Direct Shape Mapping (DSM) algorithms to determine physical displacements. This approach is applicable to the simulation of the elastic behavior of launch vehicles and other structures that utilize multiple LTI finite element model (FEM) derived mode sets that are propagated throughout time. The time invariant nature of the elastic data for discrete segments of the launch vehicle trajectory presents a problem of how to properly transition between models while preserving motion across the transition. In addition, energy may vary between flex models when using a truncated mode set. The LSQI-DSM algorithm can accommodate significant changes in energy between FEM models and carries elastic motion across FEM model transitions. Compared with previous approaches, the LSQI-DSM algorithm shows improvements ranging from a significant reduction to a complete removal of transients across FEM model transitions as well as maintaining elastic motion from the prior state.
Ceballos-Núñez, Verónika; Richardson, Andrew D.; Sierra, Carlos A.
2018-03-01
The global carbon cycle is strongly controlled by the source/sink strength of vegetation as well as the capacity of terrestrial ecosystems to retain this carbon. These dynamics, as well as processes such as the mixing of old and newly fixed carbon, have been studied using ecosystem models, but different assumptions regarding the carbon allocation strategies and other model structures may result in highly divergent model predictions. We assessed the influence of three different carbon allocation schemes on the C cycling in vegetation. First, we described each model with a set of ordinary differential equations. Second, we used published measurements of ecosystem C compartments from the Harvard Forest Environmental Measurement Site to find suitable parameters for the different model structures. And third, we calculated C stocks, release fluxes, radiocarbon values (based on the bomb spike), ages, and transit times. We obtained model simulations in accordance with the available data, but the time series of C in foliage and wood need to be complemented with other ecosystem compartments in order to reduce the high parameter collinearity that we observed, and reduce model equifinality. Although the simulated C stocks in ecosystem compartments were similar, the different model structures resulted in very different predictions of age and transit time distributions. In particular, the inclusion of two storage compartments resulted in the prediction of a system mean age that was 12-20 years older than in the models with one or no storage compartments. The age of carbon in the wood compartment of this model was also distributed towards older ages, whereas fast cycling compartments had an age distribution that did not exceed 5 years. As expected, models with C distributed towards older ages also had longer transit times. These results suggest that ages and transit times, which can be indirectly measured using isotope tracers, serve as important diagnostics of model structure
Directory of Open Access Journals (Sweden)
V. Ceballos-Núñez
2018-03-01
Full Text Available The global carbon cycle is strongly controlled by the source/sink strength of vegetation as well as the capacity of terrestrial ecosystems to retain this carbon. These dynamics, as well as processes such as the mixing of old and newly fixed carbon, have been studied using ecosystem models, but different assumptions regarding the carbon allocation strategies and other model structures may result in highly divergent model predictions. We assessed the influence of three different carbon allocation schemes on the C cycling in vegetation. First, we described each model with a set of ordinary differential equations. Second, we used published measurements of ecosystem C compartments from the Harvard Forest Environmental Measurement Site to find suitable parameters for the different model structures. And third, we calculated C stocks, release fluxes, radiocarbon values (based on the bomb spike, ages, and transit times. We obtained model simulations in accordance with the available data, but the time series of C in foliage and wood need to be complemented with other ecosystem compartments in order to reduce the high parameter collinearity that we observed, and reduce model equifinality. Although the simulated C stocks in ecosystem compartments were similar, the different model structures resulted in very different predictions of age and transit time distributions. In particular, the inclusion of two storage compartments resulted in the prediction of a system mean age that was 12–20 years older than in the models with one or no storage compartments. The age of carbon in the wood compartment of this model was also distributed towards older ages, whereas fast cycling compartments had an age distribution that did not exceed 5 years. As expected, models with C distributed towards older ages also had longer transit times. These results suggest that ages and transit times, which can be indirectly measured using isotope tracers, serve as important
Model for the resistive critical current transition in composite superconductors
International Nuclear Information System (INIS)
Warnes, W.H.
1988-01-01
Much of the research investigating technological type-II superconducting composites relies on the measurement of the resistive critical current transition. We have developed a model for the resistive transition which improves on older models by allowing for the very different nature of monofilamentary and multifilamentary composite structures. The monofilamentary model allows for axial current flow around critical current weak links in the superconducting filament. The multifilamentary model incorporates an additional radial current transfer between neighboring filaments. The development of both models is presented. It is shown that the models are useful for extracting more information from the experimental data than was formerly possible. Specific information obtainable from the experimental voltage-current characteristic includes the distribution of critical currents in the composite, the average critical current of the distribution, the range of critical currents in the composite, the field and temperature dependence of the distribution, and the fraction of the composite dissipating energy in flux flow at any current. This additional information about the distribution of critical currents may be helpful in leading toward a better understanding of flux pinning in technological superconductors. Comparison of the models with several experiments is given and shown to be in reasonable agreement. Implications of the models for the measurement of critical currents in technological composites is presented and discussed with reference to basic flux pinning studies in such composites
Jamming transition in a homogeneous one-dimensional system: The bus route model
O'loan, O. J.; Evans, M. R.; Cates, M. E.
1998-08-01
We present a driven diffusive model that we call the bus route model. The model is defined on a one-dimensional lattice, with each lattice site having two binary variables, one of which is conserved (``buses'') and one of which is nonconserved (``passengers''). The buses are driven in a preferred direction and are slowed down by the presence of passengers who arrive with rate λ. We study the model by simulation, heuristic argument, and a mean-field theory. All these approaches provide strong evidence of a transition between an inhomogeneous ``jammed'' phase (where the buses bunch together) and a homogeneous phase as the bus density is increased. However, we argue that a strict phase transition is present only in the limit λ-->0. For small λ, we argue that the transition is replaced by an abrupt crossover that is exponentially sharp in 1/λ. We also study the coarsening of gaps between buses in the jammed regime. An alternative interpretation of the model is given in which the spaces between buses and the buses themselves are interchanged. This describes a system of particles whose mobility decreases the longer they have been stationary and could provide a model for, say, the flow of a gelling or sticky material along a pipe.
SIMULATION MODELING OF IT PROJECTS BASED ON PETRI NETS
Directory of Open Access Journals (Sweden)
Александр Михайлович ВОЗНЫЙ
2015-05-01
Full Text Available An integrated simulation model of IT project based on a modified Petri net model that combines product and model of project tasks has been proposed. Substantive interpretation of the components of the simulation model has been presented, the process of simulation has been described. The conclusions about the integration of the product model and the model of works project were made.
Quantum simulation of transverse Ising models with Rydberg atoms
Schauss, Peter
2018-04-01
Quantum Ising models are canonical models for the study of quantum phase transitions (Sachdev 1999 Quantum Phase Transitions (Cambridge: Cambridge University Press)) and are the underlying concept for many analogue quantum computing and quantum annealing ideas (Tanaka et al Quantum Spin Glasses, Annealing and Computation (Cambridge: Cambridge University Press)). Here we focus on the implementation of finite-range interacting Ising spin models, which are barely tractable numerically. Recent experiments with cold atoms have reached the interaction-dominated regime in quantum Ising magnets via optical coupling of trapped neutral atoms to Rydberg states. This approach allows for the tunability of all relevant terms in an Ising spin Hamiltonian with 1/{r}6 interactions in transverse and longitudinal fields. This review summarizes the recent progress of these implementations in Rydberg lattices with site-resolved detection. Strong correlations in quantum Ising models have been observed in several experiments, starting from a single excitation in the superatom regime up to the point of crystallization. The rapid progress in this field makes spin systems based on Rydberg atoms a promising platform for quantum simulation because of the unmatched flexibility and strength of interactions combined with high control and good isolation from the environment.
A parallel computational model for GATE simulations.
Rannou, F R; Vega-Acevedo, N; El Bitar, Z
2013-12-01
GATE/Geant4 Monte Carlo simulations are computationally demanding applications, requiring thousands of processor hours to produce realistic results. The classical strategy of distributing the simulation of individual events does not apply efficiently for Positron Emission Tomography (PET) experiments, because it requires a centralized coincidence processing and large communication overheads. We propose a parallel computational model for GATE that handles event generation and coincidence processing in a simple and efficient way by decentralizing event generation and processing but maintaining a centralized event and time coordinator. The model is implemented with the inclusion of a new set of factory classes that can run the same executable in sequential or parallel mode. A Mann-Whitney test shows that the output produced by this parallel model in terms of number of tallies is equivalent (but not equal) to its sequential counterpart. Computational performance evaluation shows that the software is scalable and well balanced. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.
Modeling, simulation and optimization of bipedal walking
Berns, Karsten
2013-01-01
The model-based investigation of motions of anthropomorphic systems is an important interdisciplinary research topic involving specialists from many fields such as Robotics, Biomechanics, Physiology, Orthopedics, Psychology, Neurosciences, Sports, Computer Graphics and Applied Mathematics. This book presents a study of basic locomotion forms such as walking and running is of particular interest due to the high demand on dynamic coordination, actuator efficiency and balance control. Mathematical models and numerical simulation and optimization techniques are explained, in combination with experimental data, which can help to better understand the basic underlying mechanisms of these motions and to improve them. Example topics treated in this book are Modeling techniques for anthropomorphic bipedal walking systems Optimized walking motions for different objective functions Identification of objective functions from measurements Simulation and optimization approaches for humanoid robots Biologically inspired con...
Multiphase reacting flows modelling and simulation
Marchisio, Daniele L
2007-01-01
The papers in this book describe the most widely applicable modeling approaches and are organized in six groups covering from fundamentals to relevant applications. In the first part, some fundamentals of multiphase turbulent reacting flows are covered. In particular the introduction focuses on basic notions of turbulence theory in single-phase and multi-phase systems as well as on the interaction between turbulence and chemistry. In the second part, models for the physical and chemical processes involved are discussed. Among other things, particular emphasis is given to turbulence modeling strategies for multiphase flows based on the kinetic theory for granular flows. Next, the different numerical methods based on Lagrangian and/or Eulerian schemes are presented. In particular the most popular numerical approaches of computational fluid dynamics codes are described (i.e., Direct Numerical Simulation, Large Eddy Simulation, and Reynolds-Averaged Navier-Stokes approach). The book will cover particle-based meth...
Fault diagnosis based on continuous simulation models
Feyock, Stefan
1987-01-01
The results are described of an investigation of techniques for using continuous simulation models as basis for reasoning about physical systems, with emphasis on the diagnosis of system faults. It is assumed that a continuous simulation model of the properly operating system is available. Malfunctions are diagnosed by posing the question: how can we make the model behave like that. The adjustments that must be made to the model to produce the observed behavior usually provide definitive clues to the nature of the malfunction. A novel application of Dijkstra's weakest precondition predicate transformer is used to derive the preconditions for producing the required model behavior. To minimize the size of the search space, an envisionment generator based on interval mathematics was developed. In addition to its intended application, the ability to generate qualitative state spaces automatically from quantitative simulations proved to be a fruitful avenue of investigation in its own right. Implementations of the Dijkstra transform and the envisionment generator are reproduced in the Appendix.
Numerical model simulation of atmospheric coolant plumes
International Nuclear Information System (INIS)
Gaillard, P.
1980-01-01
The effect of humid atmospheric coolants on the atmosphere is simulated by means of a three-dimensional numerical model. The atmosphere is defined by its natural vertical profiles of horizontal velocity, temperature, pressure and relative humidity. Effluent discharge is characterised by its vertical velocity and the temperature of air satured with water vapour. The subject of investigation is the area in the vicinity of the point of discharge, with due allowance for the wake effect of the tower and buildings and, where application, wind veer with altitude. The model equations express the conservation relationships for mometum, energy, total mass and water mass, for an incompressible fluid behaving in accordance with the Boussinesq assumptions. Condensation is represented by a simple thermodynamic model, and turbulent fluxes are simulated by introduction of turbulent viscosity and diffusivity data based on in-situ and experimental water model measurements. The three-dimensional problem expressed in terms of the primitive variables (u, v, w, p) is governed by an elliptic equation system which is solved numerically by application of an explicit time-marching algorithm in order to predict the steady-flow velocity distribution, temperature, water vapour concentration and the liquid-water concentration defining the visible plume. Windstill conditions are simulated by a program processing the elliptic equations in an axisymmetrical revolution coordinate system. The calculated visible plumes are compared with plumes observed on site with a view to validate the models [fr
Modelling conditional correlations of asset returns: A smooth transition approach
DEFF Research Database (Denmark)
Silvennoinen, Annastiina; Teräsvirta, Timo
In this paper we propose a new multivariate GARCH model with time-varying conditional correlation structure. The time-varying conditional correlations change smoothly between two extreme states of constant correlations according to a predetermined or exogenous transition variable. An LM-test is d......In this paper we propose a new multivariate GARCH model with time-varying conditional correlation structure. The time-varying conditional correlations change smoothly between two extreme states of constant correlations according to a predetermined or exogenous transition variable. An LM......-test is derived to test the constancy of correlations and LM- and Wald tests to test the hypothesis of partially constant correlations. Analytical expressions for the test statistics and the required derivatives are provided to make computations feasible. An empirical example based on daily return series of ve...
A relativized quark model for radiative baryon transitions
International Nuclear Information System (INIS)
Warns, M.; Schroeder, H.; Pfeil, W.; Rollnik, H.
1989-03-01
In this paper we investigate the electromagnetic form factors of baryons and their resonances using the framework of a relativized constituent quark model. Beyond the usual single-quark transition ansatz, we incorporate relativistic corrections which are well-determined by the intrinsic strong interaction and confinement forces between the quarks. Furthermore we separate off for the compound three-quark system the relativistic center-of-mass motion by an approximately Lorentz-invariant approach. In this way for the first time recoil effects could be explicitly studied. Using the harmonic oscillator wavefunctions with the configuration mixing as derived in the Isgur-Karl model, after restoring gauge invariance our relativized interaction hamiltonian can be used to calculate the transversely and longitudinally polarized photon transition form factors of the baryons. (orig.)
Phase transitions in the sdg interacting boson model
Energy Technology Data Exchange (ETDEWEB)
Van Isacker, P. [Grand Accelerateur National d' Ions Lourds, CEA/DSM-CNRS/IN2P3, BP 55027, F-14076 Caen Cedex 5 (France)], E-mail: isacker@ganil.fr; Bouldjedri, A.; Zerguine, S. [Department of Physics, PRIMALAB Laboratory, University of Batna, Avenue Boukhelouf M El Hadi, 05000 Batna (Algeria)
2010-05-15
A geometric analysis of the sdg interacting boson model is performed. A coherent state is used in terms of three types of deformation: axial quadrupole ({beta}{sub 2}), axial hexadecapole ({beta}{sub 4}) and triaxial ({gamma}{sub 2}). The phase-transitional structure is established for a schematic sdg Hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical U(5)xU(9), the (prolate and oblate) deformed SU{sub {+-}}(3) and the {gamma}{sub 2}-soft SO(15) limits. For realistic choices of the Hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the sd version of the model and, in particular, no transition towards a stable triaxial shape is found.
Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies
Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger
2018-02-01
Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.
Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces
DEFF Research Database (Denmark)
Tritsaris, G. A.; Rossmeisl, J.
2012-01-01
Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....
A Simulation Model for Extensor Tendon Repair
Directory of Open Access Journals (Sweden)
Elizabeth Aronstam
2017-07-01
Full Text Available Audience: This simulation model is designed for use by emergency medicine residents. Although we have instituted this at the PGY-2 level of our residency curriculum, it is appropriate for any level of emergency medicine residency training. It might also be adapted for use for a variety of other learners, such as practicing emergency physicians, orthopedic surgery residents, or hand surgery trainees. Introduction: Tendon injuries commonly present to the emergency department, so it is essential that emergency physicians be competent in evaluating such injuries. Indeed, extensor tendon repair is included as an ACGME Emergency Medicine Milestone (Milestone 13, Wound Management, Level 5 – “Performs advanced wound repairs, such as tendon repairs…”.1 However, emergency medicine residents may have limited opportunity to develop these skills due to a lack of patients, competition from other trainees, or preexisting referral patterns. Simulation may provide an alternative means to effectively teach these skills in such settings. Previously described tendon repair simulation models that were designed for surgical trainees have used rubber worms4, licorice5, feeding tubes, catheters6,7, drinking straws8, microfoam tape9, sheep forelimbs10 and cadavers.11 These models all suffer a variety of limitations, including high cost, lack of ready availability, or lack of realism. Objectives: We sought to develop an extensor tendon repair simulation model for emergency medicine residents, designed to meet ACGME Emergency Medicine Milestone 13, Level 5. We wished this model to be simple, inexpensive, and realistic. Methods: The learner responsible content/educational handout component of our innovation teaches residents about emergency department extensor tendon repair, and includes: 1 relevant anatomy 2 indications and contraindications for emergency department extensor tendon repair 3 physical exam findings 4 tendon suture techniques and 5 aftercare. During
DEFF Research Database (Denmark)
Skovgaard, M.; Nielsen, Peter V.
In this paper it is investigated if it is possible to simulate and capture some of the low Reynolds number effects numerically using time averaged momentum equations and a low Reynolds number k-f model. The test case is the larninar to turbulent transitional flow over a backward facing step...
Modelling and simulation of thermal power plants
Energy Technology Data Exchange (ETDEWEB)
Eborn, J.
1998-02-01
Mathematical modelling and simulation are important tools when dealing with engineering systems that today are becoming increasingly more complex. Integrated production and recycling of materials are trends that give rise to heterogenous systems, which are difficult to handle within one area of expertise. Model libraries are an excellent way to package engineering knowledge of systems and units to be reused by those who are not experts in modelling. Many commercial packages provide good model libraries, but they are usually domain-specific and closed. Heterogenous, multi-domain systems requires open model libraries written in general purpose modelling languages. This thesis describes a model database for thermal power plants written in the object-oriented modelling language OMOLA. The models are based on first principles. Subunits describe volumes with pressure and enthalpy dynamics and flows of heat or different media. The subunits are used to build basic units such as pumps, valves and heat exchangers which can be used to build system models. Several applications are described; a heat recovery steam generator, equipment for juice blending, steam generation in a sulphuric acid plant and a condensing steam plate heat exchanger. Model libraries for industrial use must be validated against measured data. The thesis describes how parameter estimation methods can be used for model validation. Results from a case-study on parameter optimization of a non-linear drum boiler model show how the technique can be used 32 refs, 21 figs
Ameri, Ali A.
2012-01-01
The purpose of this report is to summarize and document the work done to enable a NASA CFD code to model laminar-turbulent transition process on an isolated turbine blade. The ultimate purpose of the present work is to down-select a transition model that would allow the flow simulation of a variable speed power turbine to be accurately performed. The flow modeling in its final form will account for the blade row interactions and their effects on transition which would lead to accurate accounting for losses. The present work only concerns itself with steady flows of variable inlet turbulence. The low Reynolds number k- model of Wilcox and a modified version of the same model will be used for modeling of transition on experimentally measured blade pressure and heat transfer. It will be shown that the k- model and its modified variant fail to simulate the transition with any degree of accuracy. A case is thus made for the adoption of more accurate transition models. Three-equation models based on the work of Mayle on Laminar Kinetic Energy were explored. The three-equation model of Walters and Leylek was thought to be in a relatively mature state of development and was implemented in the Glenn-HT code. Two-dimensional heat transfer predictions of flat plate flow and two-dimensional and three-dimensional heat transfer predictions on a turbine blade were performed and reported herein. Surface heat transfer rate serves as sensitive indicator of transition. With the newly implemented model, it was shown that the simulation of transition process is much improved over the baseline k- model for the single Reynolds number and pressure ratio attempted; while agreement with heat transfer data became more satisfactory. Armed with the new transition model, total-pressure losses of computed three-dimensional flow of E3 tip section cascade were compared to the experimental data for a range of incidence angles. The results obtained, form a partial loss bucket for the chosen blade
Modelling gait transition in two-legged animals
Pinto, Carla M. A.; Santos, Alexandra P.
2011-12-01
The study of locomotor patterns has been a major research goal in the last decades. Understanding how intralimb and interlimb coordination works out so well in animals' locomotion is a hard and challenging task. Many models have been proposed to model animal's rhythms. These models have also been applied to the control of rhythmic movements of adaptive legged robots, namely biped, quadruped and other designs. In this paper we study gait transition in a central pattern generator (CPG) model for bipeds, the 4-cells model. This model is proposed by Golubitsky, Stewart, Buono and Collins and is studied further by Pinto and Golubitsky. We briefly resume the work done by Pinto and Golubitsky. We compute numerically gait transition in the 4-cells CPG model for bipeds. We use Morris-Lecar equations and Wilson-Cowan equations as the internal dynamics for each cell. We also consider two types of coupling between the cells: diffusive and synaptic. We obtain secondary gaits by bifurcation of primary gaits, by varying the coupling strengths. Nevertheless, some bifurcating branches could not be obtained, emphasizing the fact that despite analytically those bifurcations exist, finding them is a hard task and requires variation of other parameters of the equations. We note that the type of coupling did not influence the results.
Modeling and simulation of economic processes
Directory of Open Access Journals (Sweden)
Bogdan Brumar
2010-12-01
Full Text Available In general, any activity requires a longer action often characterized by a degree of uncertainty, insecurity, in terms of size of the objective pursued. Because of the complexity of real economic systems, the stochastic dependencies between different variables and parameters considered, not all systems can be adequately represented by a model that can be solved by analytical methods and covering all issues for management decision analysis-economic horizon real. Often in such cases, it is considered that the simulation technique is the only alternative available. Using simulation techniques to study real-world systems often requires a laborious work. Making a simulation experiment is a process that takes place in several stages.
Simulation as a surgical teaching model.
Ruiz-Gómez, José Luis; Martín-Parra, José Ignacio; González-Noriega, Mónica; Redondo-Figuero, Carlos Godofredo; Manuel-Palazuelos, José Carlos
2018-01-01
Teaching of surgery has been affected by many factors over the last years, such as the reduction of working hours, the optimization of the use of the operating room or patient safety. Traditional teaching methodology fails to reduce the impact of these factors on surgeońs training. Simulation as a teaching model minimizes such impact, and is more effective than traditional teaching methods for integrating knowledge and clinical-surgical skills. Simulation complements clinical assistance with training, creating a safe learning environment where patient safety is not affected, and ethical or legal conflicts are avoided. Simulation uses learning methodologies that allow teaching individualization, adapting it to the learning needs of each student. It also allows training of all kinds of technical, cognitive or behavioural skills. Copyright © 2017 AEC. Publicado por Elsevier España, S.L.U. All rights reserved.
Mathematical models and numerical simulation in electromagnetism
Bermúdez, Alfredo; Salgado, Pilar
2014-01-01
The book represents a basic support for a master course in electromagnetism oriented to numerical simulation. The main goal of the book is that the reader knows the boundary-value problems of partial differential equations that should be solved in order to perform computer simulation of electromagnetic processes. Moreover it includes a part devoted to electric circuit theory based on ordinary differential equations. The book is mainly oriented to electric engineering applications, going from the general to the specific, namely, from the full Maxwell’s equations to the particular cases of electrostatics, direct current, magnetostatics and eddy currents models. Apart from standard exercises related to analytical calculus, the book includes some others oriented to real-life applications solved with MaxFEM free simulation software.
SIMULATION OF THE TRANSITIONAL REGIME OF THE MOLDOVAN POWER UNDER STATIC STABILITY
Directory of Open Access Journals (Sweden)
Postolaty V.M.
2013-04-01
Full Text Available The paper presents the outcome of the Moldovan power system static stability modeling and analysis, considering the operation in parallel with the Ukrainian power system and the established operation regimes. The analysis includes verification of the reserve of static stability and definition of the static stability limits for a given operation mode, and the determination of the power system stability domain of the controlled system nodes. Parameters used for the analysis are the active power flows via controlled sections and the voltage levels at the controlled system nodes. Two options of Moldovan power system scheme are considered: a single-circuit transit Dniester HPP - Balti - Straseni – Chisinau 330kV and a double-circuit transit. Studies have shown that the implementation of the double-circuit transit would lead to better static stability parameters and lower power system losses. The analysis has been carried out based on the power system stability.
Facebook's personal page modelling and simulation
Sarlis, Apostolos S.; Sakas, Damianos P.; Vlachos, D. S.
2015-02-01
In this paper we will try to define the utility of Facebook's Personal Page marketing method. This tool that Facebook provides, is modelled and simulated using iThink in the context of a Facebook marketing agency. The paper has leveraged the system's dynamic paradigm to conduct Facebook marketing tools and methods modelling, using iThink™ system to implement them. It uses the design science research methodology for the proof of concept of the models and modelling processes. The following model has been developed for a social media marketing agent/company, Facebook platform oriented and tested in real circumstances. This model is finalized through a number of revisions and iterators of the design, development, simulation, testing and evaluation processes. The validity and usefulness of this Facebook marketing model for the day-to-day decision making are authenticated by the management of the company organization. Facebook's Personal Page method can be adjusted, depending on the situation, in order to maximize the total profit of the company which is to bring new customers, keep the interest of the old customers and deliver traffic to its website.
Modeling and simulation of photovoltaic solar panel
International Nuclear Information System (INIS)
Belarbi, M.; Haddouche, K.; Midoun, A.
2006-01-01
In this article, we present a new approach for estimating the model parameters of a photovoltaic solar panel according to the irradiance and temperature. The parameters of the one diode model are given from the knowledge of three operating points: short-circuit, open circuit, and maximum power. In the first step, the adopted approach concerns the resolution of the system of equations constituting the three operating points to write all the model parameters according to series resistance. Secondly, we make an iterative resolution at the optimal operating point by using the Newton-Raphson method to calculate the series resistance value as well as the model parameters. Once the panel model is identified, we consider other equations for taking into account the irradiance and temperature effect. The simulation results show the convergence speed of the model parameters and the possibility of visualizing the electrical behaviour of the panel according to the irradiance and temperature. Let us note that a sensitivity of the algorithm at the optimal operating point was observed owing to the fact that a small variation of the optimal voltage value leads to a very great variation of the identified parameters values. With the identified model, we can develop algorithms of maximum power point tracking, and make simulations of a solar water pumping system.(Author)
A simulation model for material accounting systems
International Nuclear Information System (INIS)
Coulter, C.A.; Thomas, K.E.
1987-01-01
A general-purpose model that was developed to simulate the operation of a chemical processing facility for nuclear materials has been extended to describe material measurement and accounting procedures as well. The model now provides descriptors for material balance areas, a large class of measurement instrument types and their associated measurement errors for various classes of materials, the measurement instruments themselves with their individual calibration schedules, and material balance closures. Delayed receipt of measurement results (as for off-line analytical chemistry assay), with interim use of a provisional measurement value, can be accurately represented. The simulation model can be used to estimate inventory difference variances for processing areas that do not operate at steady state, to evaluate the timeliness of measurement information, to determine process impacts of measurement requirements, and to evaluate the effectiveness of diversion-detection algorithms. Such information is usually difficult to obtain by other means. Use of the measurement simulation model is illustrated by applying it to estimate inventory difference variances for two material balance area structures of a fictitious nuclear material processing line
Theory, modeling and simulation: Annual report 1993
International Nuclear Information System (INIS)
Dunning, T.H. Jr.; Garrett, B.C.
1994-07-01
Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE's research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies
Theory, modeling and simulation: Annual report 1993
Energy Technology Data Exchange (ETDEWEB)
Dunning, T.H. Jr.; Garrett, B.C.
1994-07-01
Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE`s research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies.
Direct imaging and mesoscale modelling of phase transitions in a nanostructured fluid
Knoll, A.; Lyakhova, K. S.; Horvat, A.; Krausch, G.; Sevink, G. J. A.; Zvelindovsky, A. V.; Magerle, R.
2004-12-01
The kinetics of phase transitions is essential for understanding pattern formation in structured fluids. These fluids play a key role in the morphogenesis of biological cells, and they are very common in pharmaceutical products and plastic materials. Until now, it has not been possible to follow phase transitions in structured fluids experimentally in real time and with high spatial resolution. Previous work has relied on static images and indirect experimental evidence from spatially averaging scattering experiments. Simulating the processes with computer models is a further challenge because of the multiple time and length scales involved. Our movies based on in situ scanning force microscopy show the time sequence of the elementary steps of a phase transition in a fluid film of block copolymer from the cylinder to the perforated lamella phase. The movies validate a versatile simulation model that gives physical insight into the nature of the process. Our approach provides a means of improving the study and understanding of pattern formation processes in nanostructured fluids. We expect a significant impact on nanotechnology where block copolymers serve as self-organized templates for the synthesis of inorganic nanostructured materials.
A Model Management Approach for Co-Simulation Model Evaluation
Zhang, X.C.; Broenink, Johannes F.; Filipe, Joaquim; Kacprzyk, Janusz; Pina, Nuno
2011-01-01
Simulating formal models is a common means for validating the correctness of the system design and reduce the time-to-market. In most of the embedded control system design, multiple engineering disciplines and various domain-specific models are often involved, such as mechanical, control, software
Espinosa Duran, John Michael
The study of nanosystems and their emergent properties requires the development of multiscale computational models, theories and methods that preserve atomic and femtosecond resolution, to reveal details that cannot be resolved experimentally today. Considering this, three long time scale phenomena were studied using molecular dynamics and multiscale methods: self-assembly of organic molecules on graphite, energy transfer in nanosystems, and structural transition in vault nanoparticles. Molecular dynamics simulations of the self-assembly of alkoxybenzonitriles with different tail lengths on graphite were performed to learn about intermolecular interactions and phases exhibited by self-organized materials. This is important for the design of ordered self-assembled organic photovoltaic materials with greater efficiency than the disordered blends. Simulations revealed surface dynamical behaviors that cannot be resolved experimentally today due to the lack of spatiotemporal resolution. Atom-resolved structures predicted by simulations agreed with scanning tunneling microscopy images and unit cell measurements. Then, a multiscale theory based on the energy density as a field variable is developed to study energy transfer in nanoscale systems. For applications like photothermal microscopy or cancer phototherapy is required to understand how the energy is transferred to/from nanosystems. This multiscale theory could be applied in this context and here is tested for cubic nanoparticles immersed in water for energy being transferred to/from the nanoparticle. The theory predicts the energy transfer dynamics and reveals phenomena that cannot be described by current phenomenological theories. Finally, temperature-triggered structural transitions were revealed for vault nanoparticles using molecular dynamics and multiscale simulations. Vault is a football-shaped supramolecular assembly very distinct from the commonly observed icosahedral viruses. It has very promising
eShopper modeling and simulation
Petrushin, Valery A.
2001-03-01
The advent of e-commerce gives an opportunity to shift the paradigm of customer communication into a highly interactive mode. The new generation of commercial Web servers, such as the Blue Martini's server, combines the collection of data on a customer behavior with real-time processing and dynamic tailoring of a feedback page. The new opportunities for direct product marketing and cross selling are arriving. The key problem is what kind of information do we need to achieve these goals, or in other words, how do we model the customer? The paper is devoted to customer modeling and simulation. The focus is on modeling an individual customer. The model is based on the customer's transaction data, click stream data, and demographics. The model includes the hierarchical profile of a customer's preferences to different types of products and brands; consumption models for the different types of products; the current focus, trends, and stochastic models for time intervals between purchases; product affinity models; and some generalized features, such as purchasing power, sensitivity to advertising, price sensitivity, etc. This type of model is used for predicting the date of the next visit, overall spending, and spending for different types of products and brands. For some type of stores (for example, a supermarket) and stable customers, it is possible to forecast the shopping lists rather accurately. The forecasting techniques are discussed. The forecasting results can be used for on- line direct marketing, customer retention, and inventory management. The customer model can also be used as a generative model for simulating the customer's purchasing behavior in different situations and for estimating customer's features.
Simulation modelling in agriculture: General considerations. | R.I. ...
African Journals Online (AJOL)
The computer does all the necessary arithmetic when the hypothesis is invoked to predict the future behaviour of the simulated system under given conditions.A general ... in the advisory service. Keywords: agriculture; botany; computer simulation; modelling; simulation model; simulation modelling; south africa; techniques ...
Directory of Open Access Journals (Sweden)
Lorenzo G. Tanadini
2016-11-01
Full Text Available Abstract Background A number of potential therapeutic approaches for neurological disorders have failed to provide convincing evidence of efficacy, prompting pharmaceutical and health companies to discontinue their involvement in drug development. Limitations in the statistical analysis of complex endpoints have very likely had a negative impact on the translational process. Methods We propose a transitional ordinal model with an autoregressive component to overcome previous limitations in the analysis of Upper Extremity Motor Scores, a relevant endpoint in the field of Spinal Cord Injury. Statistical power and clinical interpretation of estimated treatment effects of the proposed model were compared to routinely employed approaches in a large simulation study of two-arm randomized clinical trials. A revisitation of a key historical trial provides further comparison between the different analysis approaches. Results The proposed model outperformed all other approaches in virtually all simulation settings, achieving on average 14 % higher statistical power than the respective second-best performing approach (range: -1 %, +34 %. Only the transitional model allows treatment effect estimates to be interpreted as conditional odds ratios, providing clear interpretation and visualization. Conclusion The proposed model takes into account the complex ordinal nature of the endpoint under investigation and explicitly accounts for relevant prognostic factors such as lesion level and baseline information. Superior statistical power, combined with clear clinical interpretation of estimated treatment effects and widespread availability in commercial software, are strong arguments for clinicians and trial scientists to adopt, and further extend, the proposed approach.
DEFF Research Database (Denmark)
Gørgens, Tue; Skeels, Christopher L.; Wurtz, Allan
This paper explores estimation of a class of non-linear dynamic panel data models with additive unobserved individual-specific effects. The models are specified by moment restrictions. The class includes the panel data AR(p) model and panel smooth transition models. We derive an efficient set...... of moment restrictions for estimation and apply the results to estimation of panel smooth transition models with fixed effects, where the transition may be determined endogenously. The performance of the GMM estimator, both in terms of estimation precision and forecasting performance, is examined in a Monte...... Carlo experiment. We find that estimation of the parameters in the transition function can be problematic but that there may be significant benefits in terms of forecast performance....
Observation and modeling of deflagration-to-detonation transition (DDT) in low-density HMX
Tringe, Joseph W.; Vandersall, Kevin S.; Reaugh, John E.; Levie, Harold W.; Henson, Bryan F.; Smilowitz, Laura B.; Parker, Gary R.
2017-01-01
We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (˜1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a more temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder.
Aqueous Electrolytes: Model Parameters and Process Simulation
DEFF Research Database (Denmark)
Thomsen, Kaj
This thesis deals with aqueous electrolyte mixtures. The Extended UNIQUAC model is being used to describe the excess Gibbs energy of such solutions. Extended UNIQUAC parameters for the twelve ions Na+, K+, NH4+, H+, Cl-, NO3-, SO42-, HSO4-, OH-, CO32-, HCO3-, and S2O82- are estimated. A computer ...... program including a steady state process simulator for the design, simulation, and optimization of fractional crystallization processes is presented.......This thesis deals with aqueous electrolyte mixtures. The Extended UNIQUAC model is being used to describe the excess Gibbs energy of such solutions. Extended UNIQUAC parameters for the twelve ions Na+, K+, NH4+, H+, Cl-, NO3-, SO42-, HSO4-, OH-, CO32-, HCO3-, and S2O82- are estimated. A computer...
Continuum damage modeling and simulation of hierarchical dental enamel
Ma, Songyun; Scheider, Ingo; Bargmann, Swantje
2016-05-01
Dental enamel exhibits high fracture toughness and stiffness due to a complex hierarchical and graded microstructure, optimally organized from nano- to macro-scale. In this study, a 3D representative volume element (RVE) model is adopted to study the deformation and damage behavior of the fibrous microstructure. A continuum damage mechanics model coupled to hyperelasticity is developed for modeling the initiation and evolution of damage in the mineral fibers as well as protein matrix. Moreover, debonding of the interface between mineral fiber and protein is captured by employing a cohesive zone model. The dependence of the failure mechanism on the aspect ratio of the mineral fibers is investigated. In addition, the effect of the interface strength on the damage behavior is studied with respect to geometric features of enamel. Further, the effect of an initial flaw on the overall mechanical properties is analyzed to understand the superior damage tolerance of dental enamel. The simulation results are validated by comparison to experimental data from micro-cantilever beam testing at two hierarchical levels. The transition of the failure mechanism at different hierarchical levels is also well reproduced in the simulations.
A Placement Model for Flight Simulators.
1982-09-01
simulator basing strategies. Captains David R. VanDenburg and Jon D. Veith developed a mathematical model to assist in the placement analysis of A-7...Institute for Defense Analysis, Arlington VA, August 1977. AD A049979. 23. Sugarman , Robert C., Steven L. Johnson, and William F. H. Ring. "B-I Systems...USAF Cost and Plan- nin& Factors. AFR 173-13. Washington: Govern- ment Printing Office, I February 1982. * 30. Van Denburg, Captain David R., USAF
Digital herders and phase transition in a voting model
Energy Technology Data Exchange (ETDEWEB)
Hisakado, M [Standard and Poor' s, Marunouchi 1-6-5, Chiyoda ku, Tokyo 100-0005 (Japan); Mori, S, E-mail: masato_hisakado@standardandpoors.com, E-mail: mori@sci.kitasato-u.ac.jp [Department of Physics, School of Science, Kitasato University, Kitasato 1-15-1, Sagamihara, Kanagawa 228-8555 (Japan)
2011-07-08
In this paper, we discuss a voting model with two candidates, C{sub 1} and C{sub 2}. We set two types of voters-herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous r votes, which are visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When r {>=} 3, we find that a phase transition occurs at the upper limit of t, where t is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when r < 3, there is no phase transition. In this case, the herders' performance is the same as that of the independent voters. Finally, we recognize the behavior of human beings by conducting simple experiments.
Frid, Leonardo; Holcombe, Tracy; Morisette, Jeffrey T.; Olsson, Aaryn D.; Brigham, Lindy; Bean, Travis M.; Betancourt, Julio L.; Bryan, Katherine
2013-01-01
Buffelgrass, a highly competitive and flammable African bunchgrass, is spreading rapidly across both urban and natural areas in the Sonoran Desert of southern and central Arizona. Damages include increased fire risk, losses in biodiversity, and diminished revenues and quality of life. Feasibility of sustained and successful mitigation will depend heavily on rates of spread, treatment capacity, and cost–benefit analysis. We created a decision support model for the wildland–urban interface north of Tucson, AZ, using a spatial state-and-transition simulation modeling framework, the Tool for Exploratory Landscape Scenario Analyses. We addressed the issues of undetected invasions, identifying potentially suitable habitat and calibrating spread rates, while answering questions about how to allocate resources among inventory, treatment, and maintenance. Inputs to the model include a state-and-transition simulation model to describe the succession and control of buffelgrass, a habitat suitability model, management planning zones, spread vectors, estimated dispersal kernels for buffelgrass, and maps of current distribution. Our spatial simulations showed that without treatment, buffelgrass infestations that started with as little as 80 ha (198 ac) could grow to more than 6,000 ha by the year 2060. In contrast, applying unlimited management resources could limit 2060 infestation levels to approximately 50 ha. The application of sufficient resources toward inventory is important because undetected patches of buffelgrass will tend to grow exponentially. In our simulations, areas affected by buffelgrass may increase substantially over the next 50 yr, but a large, upfront investment in buffelgrass control could reduce the infested area and overall management costs.
Modelling interplanetary CMEs using magnetohydrodynamic simulations
Directory of Open Access Journals (Sweden)
P. J. Cargill
Full Text Available The dynamics of Interplanetary Coronal Mass Ejections (ICMEs are discussed from the viewpoint of numerical modelling. Hydrodynamic models are shown to give a good zero-order picture of the plasma properties of ICMEs, but they cannot model the important magnetic field effects. Results from MHD simulations are shown for a number of cases of interest. It is demonstrated that the strong interaction of the ICME with the solar wind leads to the ICME and solar wind velocities being close to each other at 1 AU, despite their having very different speeds near the Sun. It is also pointed out that this interaction leads to a distortion of the ICME geometry, making cylindrical symmetry a dubious assumption for the CME field at 1 AU. In the presence of a significant solar wind magnetic field, the magnetic fields of the ICME and solar wind can reconnect with each other, leading to an ICME that has solar wind-like field lines. This effect is especially important when an ICME with the right sense of rotation propagates down the heliospheric current sheet. It is also noted that a lack of knowledge of the coronal magnetic field makes such simulations of little use in space weather forecasts that require knowledge of the ICME magnetic field strength.
Key words. Interplanetary physics (interplanetary magnetic fields Solar physics, astrophysics, and astronomy (flares and mass ejections Space plasma physics (numerical simulation studies
MODELING AND SIMULATION OF A HYDROCRACKING UNIT
Directory of Open Access Journals (Sweden)
HASSAN A. FARAG
2016-06-01
Full Text Available Hydrocracking is used in the petroleum industry to convert low quality feed stocks into high valued transportation fuels such as gasoline, diesel, and jet fuel. The aim of the present work is to develop a rigorous steady state two-dimensional mathematical model which includes conservation equations of mass and energy for simulating the operation of a hydrocracking unit. Both the catalyst bed and quench zone have been included in this integrated model. The model equations were numerically solved in both axial and radial directions using Matlab software. The presented model was tested against a real plant data in Egypt. The results indicated that a very good agreement between the model predictions and industrial values have been reported for temperature profiles, concentration profiles, and conversion in both radial and axial directions at the hydrocracking unit. Simulation of the quench zone conversion and temperature profiles in the quench zone was also included and gave a low deviation from the actual ones. In concentration profiles, the percentage deviation in the first reactor was found to be 9.28 % and 9.6% for the second reactor. The effect of several parameters such as: Pellet Heat Transfer Coefficient, Effective Radial Thermal Conductivity, Wall Heat Transfer Coefficient, Effective Radial Diffusivity, and Cooling medium (quench zone has been included in this study. The variation of Wall Heat Transfer Coefficient, Effective Radial Diffusivity for the near-wall region, gave no remarkable changes in the temperature profiles. On the other hand, even small variations of Effective Radial Thermal Conductivity, affected the simulated temperature profiles significantly, and this effect could not be compensated by the variations of the other parameters of the model.
Human Inferences about Sequences: A Minimal Transition Probability Model.
Directory of Open Access Journals (Sweden)
Florent Meyniel
2016-12-01
Full Text Available The brain constantly infers the causes of the inputs it receives and uses these inferences to generate statistical expectations about future observations. Experimental evidence for these expectations and their violations include explicit reports, sequential effects on reaction times, and mismatch or surprise signals recorded in electrophysiology and functional MRI. Here, we explore the hypothesis that the brain acts as a near-optimal inference device that constantly attempts to infer the time-varying matrix of transition probabilities between the stimuli it receives, even when those stimuli are in fact fully unpredictable. This parsimonious Bayesian model, with a single free parameter, accounts for a broad range of findings on surprise signals, sequential effects and the perception of randomness. Notably, it explains the pervasive asymmetry between repetitions and alternations encountered in those studies. Our analysis suggests that a neural machinery for inferring transition probabilities lies at the core of human sequence knowledge.
Reactive transport models and simulation with ALLIANCES
International Nuclear Information System (INIS)
Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.
2009-01-01
Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and
Simulation models generator. Applications in scheduling
Directory of Open Access Journals (Sweden)
Omar Danilo Castrillón
2013-08-01
Rev.Mate.Teor.Aplic. (ISSN 1409-2433 Vol. 20(2: 231–241, July 2013 generador de modelos de simulacion 233 will, in order to have an approach to reality to evaluate decisions in order to take more assertive. To test prototype was used as the modeling example of a production system with 9 machines and 5 works as a job shop configuration, testing stops processing times and stochastic machine to measure rates of use of machines and time average jobs in the system, as measures of system performance. This test shows the goodness of the prototype, to save the user the simulation model building
Computer Models Simulate Fine Particle Dispersion
2010-01-01
Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.
Modeling and simulation of reactive flows
Bortoli, De AL; Pereira, Felipe
2015-01-01
Modelling and Simulation of Reactive Flows presents information on modeling and how to numerically solve reactive flows. The book offers a distinctive approach that combines diffusion flames and geochemical flow problems, providing users with a comprehensive resource that bridges the gap for scientists, engineers, and the industry. Specifically, the book looks at the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms. It considers the most common methods used in practical situations, along with equations for reactive flows, and va
TMS modeling toolbox for realistic simulation.
Cho, Young Sun; Suh, Hyun Sang; Lee, Won Hee; Kim, Tae-Seong
2010-01-01
Transcranial magnetic stimulation (TMS) is a technique for brain stimulation using rapidly changing magnetic fields generated by coils. It has been established as an effective stimulation technique to treat patients suffering from damaged brain functions. Although TMS is known to be painless and noninvasive, it can also be harmful to the brain by incorrect focusing and excessive stimulation which might result in seizure. Therefore there is ongoing research effort to elucidate and better understand the effect and mechanism of TMS. Lately Boundary element method (BEM) and Finite element method (FEM) have been used to simulate the electromagnetic phenomenon of TMS. However, there is a lack of general tools to generate the models of TMS due to some difficulties in realistic modeling of the human head and TMS coils. In this study, we have developed a toolbox through which one can generate high-resolution FE TMS models. The toolbox allows creating FE models of the head with isotropic and anisotropic electrical conductivities in five different tissues of the head and the coils in 3D. The generated TMS model is importable to FE software packages such as ANSYS for further and efficient electromagnetic analysis. We present a set of demonstrative results of realistic simulation of TMS with our toolbox.
Simulating the phosphorus fluid-liquid phase transition up to the critical point
International Nuclear Information System (INIS)
Ghiringhelli, Luca M; Meijer, Evert Jan
2007-01-01
We report a Car-Parrinello molecular dynamics study of the temperature dependence of the fluid-liquid phase transition in phosphorous, involving the transformation of a molecular fluid phase into a network-like phase. We employed density-functional theory (DFT) with a gradient-corrected functional (B-LYP) to describe the electronic structure and interatomic interactions and performed simulations in a constant pressure ensemble. We spanned a temperature interval ranging from 2500 to 3500 K. With increasing temperature, we found that the structural conversion from the molecular P 4 fluid into the network liquid occurs at decreasing pressures, consistent with experimental observations. At lower temperatures the transition is characterized by a sudden increase of density in the sample. The magnitude of the density change decreases with increasing temperature and vanishes at 3500 K. In the temperature range 3100-3500 K we found signals of near- and super-criticality. We identified local structural changes that serve as seeds triggering the overall structural transition
Flux pinning and phase transitions in model high-temperature superconductors with columnar defects
Energy Technology Data Exchange (ETDEWEB)
Lee, K.H.; Stroud, D. (Department of Physics, Ohio State University, Columbus, Ohio 43210 (United States)); Girvin, S.M. (Department of Physics, Indiana University, Bloomington, Indiana 47405 (United States))
1993-07-01
We calculate the degree of flux pinning by defects in model high-temperature superconductors (HTSC's). The HTSC is modeled as a three-dimensional network of resistively shunted Josephson junctions in an external magnetic field, corresponding to a HTSC in the extreme type-II limit. Disorder is introduced either by randomizing the coupling between grains (model-[ital A] disorder) or by removing grains (model-[ital B] disorder). Three types of defects are considered: point disorder, random line disorder, and periodic line disorder; but the emphasis is on random line disorder. Static and dynamic properties of the models are determined by Monte Carlo simulations and by solution of the analogous coupled overdamped Josephson equations in the presence of thermal noise. Random line defects considerably raise the superconducting transition temperature [ital T][sub [ital c
Wedge Experiment Modeling and Simulation for Reactive Flow Model Calibration
Maestas, Joseph T.; Dorgan, Robert J.; Sutherland, Gerrit T.
2017-06-01
Wedge experiments are a typical method for generating pop-plot data (run-to-detonation distance versus input shock pressure), which is used to assess an explosive material's initiation behavior. Such data can be utilized to calibrate reactive flow models by running hydrocode simulations and successively tweaking model parameters until a match between experiment is achieved. Typical simulations are performed in 1D and typically use a flyer impact to achieve the prescribed shock loading pressure. In this effort, a wedge experiment performed at the Army Research Lab (ARL) was modeled using CTH (SNL hydrocode) in 1D, 2D, and 3D space in order to determine if there was any justification in using simplified models. A simulation was also performed using the BCAT code (CTH companion tool) that assumes a plate impact shock loading. Results from the simulations were compared to experimental data and show that the shock imparted into an explosive specimen is accurately captured with 2D and 3D simulations, but changes significantly in 1D space and with the BCAT tool. The difference in shock profile is shown to only affect numerical predictions for large run distances. This is attributed to incorrectly capturing the energy fluence for detonation waves versus flat shock loading. Portions of this work were funded through the Joint Insensitive Munitions Technology Program.
Phase transitions in the q -voter model with noise on a duplex clique
Chmiel, Anna; Sznajd-Weron, Katarzyna
2015-11-01
We study a nonlinear q -voter model with stochastic noise, interpreted in the social context as independence, on a duplex network. To study the role of the multilevelness in this model we propose three methods of transferring the model from a mono- to a multiplex network. They take into account two criteria: one related to the status of independence (LOCAL vs GLOBAL) and one related to peer pressure (AND vs OR). In order to examine the influence of the presence of more than one level in the social network, we perform simulations on a particularly simple multiplex: a duplex clique, which consists of two fully overlapped complete graphs (cliques). Solving numerically the rate equation and simultaneously conducting Monte Carlo simulations, we provide evidence that even a simple rearrangement into a duplex topology may lead to significant changes in the observed behavior. However, qualitative changes in the phase transitions can be observed for only one of the considered rules: LOCAL&AND. For this rule the phase transition becomes discontinuous for q =5 , whereas for a monoplex such behavior is observed for q =6 . Interestingly, only this rule admits construction of realistic variants of the model, in line with recent social experiments.
Integrating Visualizations into Modeling NEST Simulations.
Nowke, Christian; Zielasko, Daniel; Weyers, Benjamin; Peyser, Alexander; Hentschel, Bernd; Kuhlen, Torsten W
2015-01-01
Modeling large-scale spiking neural networks showing realistic biological behavior in their dynamics is a complex and tedious task. Since these networks consist of millions of interconnected neurons, their simulation produces an immense amount of data. In recent years it has become possible to simulate even larger networks. However, solutions to assist researchers in understanding the simulation's complex emergent behavior by means of visualization are still lacking. While developing tools to partially fill this gap, we encountered the challenge to integrate these tools easily into the neuroscientists' daily workflow. To understand what makes this so challenging, we looked into the workflows of our collaborators and analyzed how they use the visualizations to solve their daily problems. We identified two major issues: first, the analysis process can rapidly change focus which requires to switch the visualization tool that assists in the current problem domain. Second, because of the heterogeneous data that results from simulations, researchers want to relate data to investigate these effectively. Since a monolithic application model, processing and visualizing all data modalities and reflecting all combinations of possible workflows in a holistic way, is most likely impossible to develop and to maintain, a software architecture that offers specialized visualization tools that run simultaneously and can be linked together to reflect the current workflow, is a more feasible approach. To this end, we have developed a software architecture that allows neuroscientists to integrate visualization tools more closely into the modeling tasks. In addition, it forms the basis for semantic linking of different visualizations to reflect the current workflow. In this paper, we present this architecture and substantiate the usefulness of our approach by common use cases we encountered in our collaborative work.
Integrating Visualizations into Modeling NEST Simulations
Directory of Open Access Journals (Sweden)
Christian eNowke
2015-12-01
Full Text Available Modeling large-scale spiking neural networks showing realistic biological behavior in their dynamics is a complex and tedious task. Since these networks consist of millions of interconnected neurons, their simulation produces an immense amount of data. In recent years it has become possible to simulate even larger networks. However, solutions to assist researchers in understanding the simulation's complex emergent behavior by means of visualization are still lacking. While developing tools to partially fill this gap, we encountered the challenge to integrate these tools easily into the neuroscientists' daily workflow. To understand what makes this so challenging, we looked into the workflows of our collaborators and analyzed how they use the visualizations to solve their daily problems. We identified two major issues: first, the analysis process can rapidly change focus which requires to switch the visualization tool that assists in the current problem domain. Second, because of the heterogeneous data that results from simulations, researchers want to relate data to investigate these effectively. Since a monolithic application model, processing and visualizing all data modalities and reflecting all combinations of possible workflows in a holistic way, is most likely impossible to develop and to maintain, a software architecture that offers specialized visualization tools that run simultaneously and can be linked together to reflect the current workflow, is a more feasible approach. To this end, we have developed a software architecture that allows neuroscientists to integrate visualization tools more closely into the modeling tasks. In addition, it forms the basis for semantic linking of different visualizations to reflect the current workflow. In this paper, we present this architecture and substantiate the usefulness of our approach by common use cases we encountered in our collaborative work.
Integrating Visualizations into Modeling NEST Simulations
Nowke, Christian; Zielasko, Daniel; Weyers, Benjamin; Peyser, Alexander; Hentschel, Bernd; Kuhlen, Torsten W.
2015-01-01
Modeling large-scale spiking neural networks showing realistic biological behavior in their dynamics is a complex and tedious task. Since these networks consist of millions of interconnected neurons, their simulation produces an immense amount of data. In recent years it has become possible to simulate even larger networks. However, solutions to assist researchers in understanding the simulation's complex emergent behavior by means of visualization are still lacking. While developing tools to partially fill this gap, we encountered the challenge to integrate these tools easily into the neuroscientists' daily workflow. To understand what makes this so challenging, we looked into the workflows of our collaborators and analyzed how they use the visualizations to solve their daily problems. We identified two major issues: first, the analysis process can rapidly change focus which requires to switch the visualization tool that assists in the current problem domain. Second, because of the heterogeneous data that results from simulations, researchers want to relate data to investigate these effectively. Since a monolithic application model, processing and visualizing all data modalities and reflecting all combinations of possible workflows in a holistic way, is most likely impossible to develop and to maintain, a software architecture that offers specialized visualization tools that run simultaneously and can be linked together to reflect the current workflow, is a more feasible approach. To this end, we have developed a software architecture that allows neuroscientists to integrate visualization tools more closely into the modeling tasks. In addition, it forms the basis for semantic linking of different visualizations to reflect the current workflow. In this paper, we present this architecture and substantiate the usefulness of our approach by common use cases we encountered in our collaborative work. PMID:26733860
A 1-week simulated internship course helps prepare medical students for transition to residency.
Laack, Torrey A; Newman, James S; Goyal, Deepi G; Torsher, Laurence C
2010-06-01
The transition from medical student to intern is inherently stressful, with potentially negative consequences for both interns and patients. We describe Internship Boot Camp, an innovative course specifically designed to prepare fourth-year medical students for the transition from medical school to internship. An intensive 1-week course, Internship Boot Camp has simulated, longitudinal patient-care scenarios that use high-fidelity medical simulation, standardized patients, procedural task trainers, and problem-based learning to help students apply their knowledge and develop a framework for response to the challenges they will face as interns. In March 2007, 12 students participated in the course as an elective in their final year of medical school, and the other 28 students in their class did not. After beginning internship and 5 to 7 months after the completion of Internship Boot Camp, all 40 former students were asked to complete a blinded survey about their preparation for internship. The overall response rate for the survey was 80%. Of responders to an open-ended question about the aspects of medical school training that best prepared them for internship, 89% (8 of 9) of course participants listed "Internship Boot Camp." The next highest response ("subinternship") was given by 45% (9 of 20) of nonparticipants and 33% (3 of 9) of course participants. Internship Boot Camp is a unique learning environment that is recalled by participants as the most helpful, of all components of their medical school education, in preparation for internship.
Model Atmospheres and Transit Spectra for Hot Rocky Planets
Lupu, Roxana
We propose to build a versatile set of self-consistent atmospheric models for hot rocky exoplanets and use them to predict their transit and eclipse spectra. Hot rocky exoplanets will form the majority of small planets in close-in orbits to be discovered by the TESS and Kepler K2 missions, and offer the best opportunity for characterization with current and future instruments. We will use fully non-grey radiative-convective atmospheric structure codes with cloud formation and vertical mixing, combined with a self-consistent treatment of gas chemistry above the magma ocean. Being in equilibrium with the surface, the vaporized rock material can be a good tracer of the bulk composition of the planet. We will derive the atmospheric structure and escape rates considering both volatile-free and volatile bearing compositions, which reflect the diversity of hot rocky planet atmospheres. Our models will inform follow- up observations with JWST and ground-based instruments, aid the interpretation of transit and eclipse spectra, and provide a better understanding of volatile loss in these atmospheres. Such results will help refine our picture of rocky planet formation and evolution. Planets in ultra-short period (USP) orbits are a special class of hot rocky exoplanets. As shown by Kepler, these planets are generally smaller than 2 Earth radii, suggesting that they are likely to be rocky and could have lost their volatiles through photo-evaporation. Being close to their host stars, these planets are ultra-hot, with estimated temperatures of 1000-3000 K. A number of USP planets have been already discovered (e.g. Kepler-78 b, CoRoT-7 b, Kepler-10 b), and this number is expected to grow by confirming additional planet candidates. The characterization of planets on ultra-short orbits is advantageous due to the larger number of observable transits, and the larger transit signal in the case of an evaporating atmosphere. Much advance has been made in understanding and characterizing
Efficient Turbulence Modeling for CFD Wake Simulations
DEFF Research Database (Denmark)
van der Laan, Paul
, that can accurately and efficiently simulate wind turbine wakes. The linear k-ε eddy viscosity model (EVM) is a popular turbulence model in RANS; however, it underpredicts the velocity wake deficit and cannot predict the anisotropic Reynolds-stresses in the wake. In the current work, nonlinear eddy...... viscosity models (NLEVM) are applied to wind turbine wakes. NLEVMs can model anisotropic turbulence through a nonlinear stress-strain relation, and they can improve the velocity deficit by the use of a variable eddy viscosity coefficient, that delays the wake recovery. Unfortunately, all tested NLEVMs show...... numerically unstable behavior for fine grids, which inhibits a grid dependency study for numerical verification. Therefore, a simpler EVM is proposed, labeled as the k-ε - fp EVM, that has a linear stress-strain relation, but still has a variable eddy viscosity coefficient. The k-ε - fp EVM is numerically...
Transition to quorum sensing in an Agrobacterium population: A stochastic model.
Directory of Open Access Journals (Sweden)
Andrew B Goryachev
2005-09-01
Full Text Available Understanding of the intracellular molecular machinery that is responsible for the complex collective behavior of multicellular populations is an exigent problem of modern biology. Quorum sensing, which allows bacteria to activate genetic programs cooperatively, provides an instructive and tractable example illuminating the causal relationships between the molecular organization of gene networks and the complex phenotypes they control. In this work we--to our knowledge for the first time--present a detailed model of the population-wide transition to quorum sensing using the example of Agrobacterium tumefaciens. We construct a model describing the Ti plasmid quorum-sensing gene network and demonstrate that it behaves as an "on-off" gene expression switch that is robust to molecular noise and that activates the plasmid conjugation program in response to the increase in autoinducer concentration. This intracellular model is then incorporated into an agent-based stochastic population model that also describes bacterial motion, cell division, and chemical communication. Simulating the transition to quorum sensing in a liquid medium and biofilm, we explain the experimentally observed gradual manifestation of the quorum-sensing phenotype by showing that the transition of individual model cells into the "on" state is spread stochastically over a broad range of autoinducer concentrations. At the same time, the population-averaged values of critical autoinducer concentration and the threshold population density are shown to be robust to variability between individual cells, predictable and specific to particular growth conditions. Our modeling approach connects intracellular and population scales of the quorum-sensing phenomenon and provides plausible answers to the long-standing questions regarding the ecological and evolutionary significance of the phenomenon. Thus, we demonstrate that the transition to quorum sensing requires a much higher threshold
Čapková, P.; Trchová, M.; Hlídek, P.; Schenk, H.; Ilavský, M.
2001-01-01
Molecular dynamics (MD) simulations in an NPT ensemble combined with temperature dependent IR spectroscopic measurements were used to study the phase transitions in a molecular crystal of a mesogenic diol - 4,4‧-bis(6-hydroxy-1-hexyloxy)biphenyl (D). A molecule of D consists of two distinct parts: a stiff biphenyl group and two flexible (CH2)6OH chains. The potential energy was calculated using the pcff_300 force field in Cerius2 modelling environment. The results of MD calculations revealed the changes of molecular and crystal structure at two phase transitions temperatures, T1˜365 K (crystal-crystal) and T2˜445 K (crystal-isotropic state); these temperatures estimated by differential scanning calorimetry measurements correspond to those observed by IR spectroscopy. MD calculations showed that the structural changes occurring during the first and second phase transitions could be attributed to changes in the conformation of the flexible part of D (connected with T1 transition) and the stiff part of D (connected with T2 transition). The distortions in the flexible parts of D molecules above T1-transition result in the break up of a regular network of hydrogen bonds between diols and consequently a disturbance in the layer ordering of molecules The distortions in the stiff biphenyl group above T2-transition indicate the premelting stage with a large departure from the three-dimensional molecular ordering.
Modeling and simulation of gamma camera
International Nuclear Information System (INIS)
Singh, B.; Kataria, S.K.; Samuel, A.M.
2002-08-01
Simulation techniques play a vital role in designing of sophisticated instruments and also for the training of operating and maintenance staff. Gamma camera systems have been used for functional imaging in nuclear medicine. Functional images are derived from the external counting of the gamma emitting radioactive tracer that after introduction in to the body mimics the behavior of native biochemical compound. The position sensitive detector yield the coordinates of the gamma ray interaction with the detector and are used to estimate the point of gamma ray emission within the tracer distribution space. This advanced imaging device is thus dependent on the performance of algorithm for coordinate computing, estimation of point of emission, generation of image and display of the image data. Contemporary systems also have protocols for quality control and clinical evaluation of imaging studies. Simulation of this processing leads to understanding of the basic camera design problems. This report describes a PC based package for design and simulation of gamma camera along with the options of simulating data acquisition and quality control of imaging studies. Image display and data processing the other options implemented in SIMCAM will be described in separate reports (under preparation). Gamma camera modeling and simulation in SIMCAM has preset configuration of the design parameters for various sizes of crystal detector with the option to pack the PMT on hexagon or square lattice. Different algorithm for computation of coordinates and spatial distortion removal are allowed in addition to the simulation of energy correction circuit. The user can simulate different static, dynamic, MUGA and SPECT studies. The acquired/ simulated data is processed for quality control and clinical evaluation of the imaging studies. Results show that the program can be used to assess these performances. Also the variations in performance parameters can be assessed due to the induced
Desktop Modeling and Simulation: Parsimonious, yet Effective Discrete-Event Simulation Analysis
Bradley, James R.
2012-01-01
This paper evaluates how quickly students can be trained to construct useful discrete-event simulation models using Excel The typical supply chain used by many large national retailers is described, and an Excel-based simulation model is constructed of it The set of programming and simulation skills required for development of that model are then determined we conclude that six hours of training are required to teach the skills to MBA students . The simulation presented here contains all fundamental functionallty of a simulation model, and so our result holds for any discrete-event simulation model. We argue therefore that Industry workers with the same technical skill set as students having completed one year in an MBA program can be quickly trained to construct simulation models. This result gives credence to the efficacy of Desktop Modeling and Simulation whereby simulation analyses can be quickly developed, run, and analyzed with widely available software, namely Excel.
Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory
Evans, Robert; Stewart, Maria C.; Wilding, Nigel B.
2017-07-01
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail. We find that for the LR case wetting is first order, while drying is continuous (critical) and occurs exactly at zero attractive wall strength, i.e., in the limit of a hard wall. In the SR case, drying is also critical but the order of the wetting transition depends on the truncation range of the wall-fluid potential. We characterize the approach to critical drying and wetting in terms of the density and local compressibility profiles and via the finite-size scaling properties of the probability distribution of the overall density. For the LR case, where the drying point is known exactly, this analysis allows us to estimate the exponent ν∥, which controls the parallel correlation length, i.e., the extent of vapor bubbles at the wall. Surprisingly, the value we obtain is over twice that predicted by mean field and renormalization group calculations, despite the fact that our three dimensional system is at the upper critical dimension where mean field theory for critical exponents is expected to hold. Possible reasons for this discrepancy are discussed in the light of fresh insights into the nature of near critical finite-size effects.
Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory.
Evans, Robert; Stewart, Maria C; Wilding, Nigel B
2017-07-28
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail. We find that for the LR case wetting is first order, while drying is continuous (critical) and occurs exactly at zero attractive wall strength, i.e., in the limit of a hard wall. In the SR case, drying is also critical but the order of the wetting transition depends on the truncation range of the wall-fluid potential. We characterize the approach to critical drying and wetting in terms of the density and local compressibility profiles and via the finite-size scaling properties of the probability distribution of the overall density. For the LR case, where the drying point is known exactly, this analysis allows us to estimate the exponent ν ∥ , which controls the parallel correlation length, i.e., the extent of vapor bubbles at the wall. Surprisingly, the value we obtain is over twice that predicted by mean field and renormalization group calculations, despite the fact that our three dimensional system is at the upper critical dimension where mean field theory for critical exponents is expected to hold. Possible reasons for this discrepancy are discussed in the light of fresh insights into the nature of near critical finite-size effects.
Experimental and simulated beam-foil decay curves for some transitions in Zn II
International Nuclear Information System (INIS)
Hultberg, S.; Liljeby, L.; Mannervik, S.; Veje, E.; Lindgaard, A.
1980-01-01
Experimental beam-foil decay curves for the 4s-4p, 4p-4d, 4d-4f, and the 4p-5s transitions in Zn II are compared to decay curves synthesized from transition probabilities calculated in the numerical Coulomb approximation and either measured initial level populations or population models. Good agreement exists between experimental curves and those based on the measured initial level populations for the 5s, 4d, and 4f levels while certain deviations are noted for the 4p term. None of the applied population models reproduce all experimental curves satisfyingly well. In addition, lifetimes are determined experimentally for 7 terms in Zn II, and good agreement with the numerical Coulomb approximation lifetimes is generally found except for some p terms. Beam-foil excitation-mechanism results for zinc are presented and compared to previous results from light projectiles. (Auth.)
Condon, Joshua; Martin, Tyler; Jayaraman, Arthi
We use atomistic (AA) and coarse-grained (CG) molecular dynamics simulations to elucidate the thermodynamic driving forces governing lower critical solution temperature (LCST)-like phase transition exhibited by elastin-like peptides (ELPs) and conjugates of ELP with other macromolecules. In the AA simulations, we study ELP oligomers in explicit water, and mark the transition as the temperature at which they undergo a change in ``hydration'' state. While AA simulations are restricted to small systems of short ELPs and do not capture the chain aggregation observed in experiments of ELPs, they guide the phenomenological CG model development by highlighting the solvent induced polymer-polymer effective interactions with changing temperature. In the CG simulations, we capture the LCST polymer aggregation by increasing polymer-polymer effective attractive interactions in an implicit solvent. We examine the impact of conjugating a block of LCST polymer to another rigid unresponsive macromolecular block on the LCST-like transition. We find that when multiple LCST polymers are conjugated to a rigid polymer block, increased crowding of the LCST polymers shifts the onset of chain aggregation to smaller effective polymer-polymer attraction compared to the free LCST polymers. These simulation results provide guidance on the design of conjugated bio-mimetic thermoresponsive materials, and shape the fundamental understanding of the impact of polymer crowding on phase behavior in thermoresponsive LCST polymer systems.
Directory of Open Access Journals (Sweden)
Joseph L Baker
2013-04-01
Full Text Available Type IV pili are long, protein filaments built from a repeating subunit that protrudes from the surface of a wide variety of infectious bacteria. They are implicated in a vast array of functions, ranging from bacterial motility to microcolony formation to infection. One of the most well-studied type IV filaments is the gonococcal type IV pilus (GC-T4P from Neisseria gonorrhoeae, the causative agent of gonorrhea. Cryo-electron microscopy has been used to construct a model of this filament, offering insights into the structure of type IV pili. In addition, experiments have demonstrated that GC-T4P can withstand very large tension forces, and transition to a force-induced conformation. However, the details of force-generation, and the atomic-level characteristics of the force-induced conformation, are unknown. Here, steered molecular dynamics (SMD simulation was used to exert a force in silico on an 18 subunit segment of GC-T4P to address questions regarding the nature of the interactions that lead to the extraordinary strength of bacterial pili. SMD simulations revealed that the buried pilin α1 domains maintain hydrophobic contacts with one another within the core of the filament, leading to GC-T4P's structural stability. At the filament surface, gaps between pilin globular head domains in both the native and pulled states provide water accessible routes between the external environment and the interior of the filament, allowing water to access the pilin α1 domains as reported for VC-T4P in deuterium exchange experiments. Results were also compared to the experimentally observed force-induced conformation. In particular, an exposed amino acid sequence in the experimentally stretched filament was also found to become exposed during the SMD simulations, suggesting that initial stages of the force induced transition are well captured. Furthermore, a second sequence was shown to be initially hidden in the native filament and became exposed upon
Baker, Joseph L; Biais, Nicolas; Tama, Florence
2013-04-01
Type IV pili are long, protein filaments built from a repeating subunit that protrudes from the surface of a wide variety of infectious bacteria. They are implicated in a vast array of functions, ranging from bacterial motility to microcolony formation to infection. One of the most well-studied type IV filaments is the gonococcal type IV pilus (GC-T4P) from Neisseria gonorrhoeae, the causative agent of gonorrhea. Cryo-electron microscopy has been used to construct a model of this filament, offering insights into the structure of type IV pili. In addition, experiments have demonstrated that GC-T4P can withstand very large tension forces, and transition to a force-induced conformation. However, the details of force-generation, and the atomic-level characteristics of the force-induced conformation, are unknown. Here, steered molecular dynamics (SMD) simulation was used to exert a force in silico on an 18 subunit segment of GC-T4P to address questions regarding the nature of the interactions that lead to the extraordinary strength of bacterial pili. SMD simulations revealed that the buried pilin α1 domains maintain hydrophobic contacts with one another within the core of the filament, leading to GC-T4P's structural stability. At the filament surface, gaps between pilin globular head domains in both the native and pulled states provide water accessible routes between the external environment and the interior of the filament, allowing water to access the pilin α1 domains as reported for VC-T4P in deuterium exchange experiments. Results were also compared to the experimentally observed force-induced conformation. In particular, an exposed amino acid sequence in the experimentally stretched filament was also found to become exposed during the SMD simulations, suggesting that initial stages of the force induced transition are well captured. Furthermore, a second sequence was shown to be initially hidden in the native filament and became exposed upon stretching.
Directory of Open Access Journals (Sweden)
Rita Peñabaena-Niebles
2017-01-01
Full Text Available Signal plan transition is the process of changing from one timing plan to another. It begins when the first intersection starts adjusting signal timing plans and ends when the last intersection completes adjusting signal timing plans. The transition between signal timing plans is required because traffic patterns change during the day. Therefore, it is necessary to modify signal timing parameters offset, phase split, and cycle length for different expectations of traffic volume. This paper presents an alternative and new mathematical model to enhance the performance of traffic signals coordination at intersections during the transition phase. This model is oriented to describe the transition regarding coordination parameters in all intersections of an arterial road for minimizing the social cost during the transition phase expressed in function of costs due to delays, fuel consumption, and air emissions. An ant colony algorithm was designed, coded, and simulated to find the optimal transition parameters using available data. The model was evaluated based on its ability to minimize social costs during the transition period. Results showed that the proposed method performs better than traditional ones.
Best Practices for Crash Modeling and Simulation
Fasanella, Edwin L.; Jackson, Karen E.
2002-01-01
Aviation safety can be greatly enhanced by the expeditious use of computer simulations of crash impact. Unlike automotive impact testing, which is now routine, experimental crash tests of even small aircraft are expensive and complex due to the high cost of the aircraft and the myriad of crash impact conditions that must be considered. Ultimately, the goal is to utilize full-scale crash simulations of aircraft for design evaluation and certification. The objective of this publication is to describe "best practices" for modeling aircraft impact using explicit nonlinear dynamic finite element codes such as LS-DYNA, DYNA3D, and MSC.Dytran. Although "best practices" is somewhat relative, it is hoped that the authors' experience will help others to avoid some of the common pitfalls in modeling that are not documented in one single publication. In addition, a discussion of experimental data analysis, digital filtering, and test-analysis correlation is provided. Finally, some examples of aircraft crash simulations are described in several appendices following the main report.
Systematic simulations of modified gravity: chameleon models
Energy Technology Data Exchange (ETDEWEB)
Brax, Philippe [Institut de Physique Theorique, CEA, IPhT, CNRS, URA 2306, F-91191Gif/Yvette Cedex (France); Davis, Anne-Christine [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Li, Baojiu [Institute for Computational Cosmology, Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Winther, Hans A. [Institute of Theoretical Astrophysics, University of Oslo, 0315 Oslo (Norway); Zhao, Gong-Bo, E-mail: philippe.brax@cea.fr, E-mail: a.c.davis@damtp.cam.ac.uk, E-mail: baojiu.li@durham.ac.uk, E-mail: h.a.winther@astro.uio.no, E-mail: gong-bo.zhao@port.ac.uk [Institute of Cosmology and Gravitation, University of Portsmouth, Portsmouth PO1 3FX (United Kingdom)
2013-04-01
In this work we systematically study the linear and nonlinear structure formation in chameleon theories of modified gravity, using a generic parameterisation which describes a large class of models using only 4 parameters. For this we have modified the N-body simulation code ecosmog to perform a total of 65 simulations for different models and parameter values, including the default ΛCDM. These simulations enable us to explore a significant portion of the parameter space. We have studied the effects of modified gravity on the matter power spectrum and mass function, and found a rich and interesting phenomenology where the difference with the ΛCDM paradigm cannot be reproduced by a linear analysis even on scales as large as k ∼ 0.05 hMpc{sup −1}, since the latter incorrectly assumes that the modification of gravity depends only on the background matter density. Our results show that the chameleon screening mechanism is significantly more efficient than other mechanisms such as the dilaton and symmetron, especially in high-density regions and at early times, and can serve as a guidance to determine the parts of the chameleon parameter space which are cosmologically interesting and thus merit further studies in the future.
Systematic simulations of modified gravity: chameleon models
International Nuclear Information System (INIS)
Brax, Philippe; Davis, Anne-Christine; Li, Baojiu; Winther, Hans A.; Zhao, Gong-Bo
2013-01-01
In this work we systematically study the linear and nonlinear structure formation in chameleon theories of modified gravity, using a generic parameterisation which describes a large class of models using only 4 parameters. For this we have modified the N-body simulation code ecosmog to perform a total of 65 simulations for different models and parameter values, including the default ΛCDM. These simulations enable us to explore a significant portion of the parameter space. We have studied the effects of modified gravity on the matter power spectrum and mass function, and found a rich and interesting phenomenology where the difference with the ΛCDM paradigm cannot be reproduced by a linear analysis even on scales as large as k ∼ 0.05 hMpc −1 , since the latter incorrectly assumes that the modification of gravity depends only on the background matter density. Our results show that the chameleon screening mechanism is significantly more efficient than other mechanisms such as the dilaton and symmetron, especially in high-density regions and at early times, and can serve as a guidance to determine the parts of the chameleon parameter space which are cosmologically interesting and thus merit further studies in the future
An inverse voter model for co-evolutionary networks: Stationary efficiency and phase transitions
International Nuclear Information System (INIS)
Zhu Chenping; Kong Hui; Li Li; Gu Zhiming; Xiong Shijie
2011-01-01
In some co-evolutionary networks, the nodes always flip their states between two opposite ones, changing the types of the links to others correspondingly. Meanwhile, the link-rewiring and state-flipping processes feed back each other, and only the links between the nodes in the opposite states are productive in generating flow for the network. We propose an inverse voter model to depict the basic features of them. New phase transitions from full efficiency to deficiency state are found by both the analysis and simulations starting from the random graphs and small-world networks. We suggest a new way to measure the efficiency of networks.
Hysteresis loop signatures of phase transitions in a mean-field model of disordered Ising magnet
Timonin, P. N.
2010-06-01
The multiplicity of long-lived states in frustrated disordered magnets makes the task to experimentally deter-mine which of them has the lowest free energy (and thus what thermodynamic phase the sample is in) seem rather hopeless. Nevertheless here we show in the framework of Landau-type phenomenological model that signatures of the mean-field equilibrium phase transitions in such highly nonequilibrium systems may be found in the evolution of the hysteresis loop form. Thus the sequence of transitions from spin-glass to mixed phase and to ferromagnetic one results in the changes from inclined hysteresis loop to that with the developing vertical sides and to one with the perfectly vertical sides. Such relation between loop form and the location of global minimum may hold beyond the mean-field approximation and can be useful in the real experiments and Monte-Carlo simulations of the problems involving rugged potential landscape.
Liao, Haijun; Li, Tao
2011-11-30
We study the ground state phase diagram of the bilayer Heisenberg model on a square lattice with a bosonic resonating valence bond (RVB) wavefunction. The wavefunction has the form of a Gutzwiller projected Schwinger boson mean-field ground state and involves two variational parameters. We find the wavefunction provides an accurate description of the system on both sides of the quantum phase transition. In particular, through the analysis of the spin structure factor, ground state fidelity susceptibility and the Binder moment ratio Q(2), a continuous transition from the antiferromagnetic ordered state to the quantum disordered state is found at the critical coupling of α(c) = J(⊥)/J(∥) ≈ 2.62, in good agreement with the result of quantum Monte Carlo simulation. The critical exponent estimated from the finite size scaling analysis (1/ν ≈ 1.4) is consistent with that of the classical 3D Heisenberg universality class.
Phase transition approach to bursting in neuronal cultures: quorum percolation models
Monceau, P.; Renault, R.; Métens, S.; Bottani, S.; Fardet, T.
2017-10-01
The Quorum Percolation model has been designed in the context of neurobiology to describe bursts of activity occurring in neuronal cultures from the point of view of statistical physics rather than from a dynamical synchronization approach. It is based upon information propagation on a directed graph with a threshold activation rule; this leads to a phase diagram which exhibits a giant percolation cluster below some critical value mC of the excitability. We describe the main characteristics of the original model and derive extensions according to additional relevant biological features. Firstly, we investigate the effects of an excitability variability on the phase diagram and show that the percolation transition can be destroyed by a sufficient amount of such a disorder; we stress the weakly averaging character of the order parameter and show that connectivity and excitability can be seen as two overlapping aspects of the same reality. Secondly, we elaborate a discrete time stochastic model taking into account the decay originating from ionic leakage through the membrane of neurons and synaptic depression; we give evidence that the decay softens and shifts the transition, and conjecture than decay destroys the transition in the thermodynamical limit. We were able to develop mean-field theories associated with each of the two effects; we discuss the framework of their agreement with Monte Carlo simulations. It turns out that the the critical point mC from which information on the connectivity of the network can be inferred is affected by each of these additional effects. Lastly, we show how dynamical simulations of bursts with an adaptive exponential integrateand- fire model can be interpreted in terms of Quorum Percolation. Moreover, the usefulness of the percolation model including the set of sophistication we investigated can be extended to many scientific fields involving information propagation, such as the spread of rumors in sociology, ethology, ecology.
Hysteretic transitions in the Kuramoto model with inertia
Torcini, Alessandro; Olmi, Simona; Navas, Adrian; Boccaletti, Stefano
2015-03-01
We report finite size numerical investigations and mean field analysis of a Kuramoto model with inertia for fully coupled and diluted systems. In particular, we examine the transition from incoherence to coherence for increasingly large system size and inertia. For sufficiently large inertia the transition is hysteretic and within the hysteretic region clusters of locked oscillators of various sizes and different levels of synchronization coexist. A modification of the mean field theory developed by Tanaka, Lichtenberg, and Oishi allows to derive the synchronization curve associated to each of these clusters. We have also investigated numerically the limits of existence of the coherent and of the incoherent solutions. The minimal coupling required to observe the coherent state is largely independent of the system size and it saturates to a constant value already for moderately large inertia values. The incoherent state is observable up to a critical coupling whose value saturates for large inertia and for finite system sizes, while in the thermodinamic limit this critical value diverges proportionally to the mass. By increasing the inertia the transition becomes more complex, and the synchronization occurs via the emergence of clusters of coherently drifting oscillators. Financial support has been provided by the Italian Ministry of University and Research within the project CRISIS LAB PNR 2011-2013.
Closed loop models for analyzing engineering requirements for simulators
Baron, S.; Muralidharan, R.; Kleinman, D.
1980-01-01
A closed loop analytic model, incorporating a model for the human pilot, (namely, the optimal control model) that would allow certain simulation design tradeoffs to be evaluated quantitatively was developed. This model was applied to a realistic flight control problem. The resulting model is used to analyze both overall simulation effects and the effects of individual elements. The results show that, as compared to an ideal continuous simulation, the discrete simulation can result in significant performance and/or workload penalties.
Transit navigation through Northern Sea Route from satellite data and CMIP5 simulations
Khon, Vyacheslav C.; Mokhov, Igor I.; Semenov, Vladimir A.
2017-02-01
Rapid Arctic sea ice decline over the last few decades opens new perspectives for Arctic marine navigation. Further warming in the Arctic will promote the Northern Sea Route (NSR) as an alternative to the conventional Suez or Panama Canal routes for intercontinental shipping. Here we use both satellite data and CMIP5 ensemble of climate models to estimate the NSR transit window allowing intercontinental navigation between Atlantic and Pacific regions. To this end, we introduce a novel approach to calculate start and end dates of the navigation season along the NSR. We show that modern climate models are able to reproduce the mean time of the NSR transit window and its trend over the last few decades. The selected models demonstrate that the rate of increase of the NSR navigation season will slow down over the next few decades with the RCP4.5 scenario. By the end of the 21st century ensemble-mean estimates show an increase of the NSR transit window by about 4 and 6.5 months according to RCP4.5 and 8.5, respectively. Estimated trends for the end date of the navigation season are found to be stronger compared to those for the start date.
Sildenafil normalizes bowel transit in preclinical models of constipation.
Directory of Open Access Journals (Sweden)
Sarah K Sharman
Full Text Available Guanylyl cyclase-C (GC-C agonists increase cGMP levels in the intestinal epithelium to promote secretion. This process underlies the utility of exogenous GC-C agonists such as linaclotide for the treatment of chronic idiopathic constipation (CIC and irritable bowel syndrome with constipation (IBS-C. Because GC-C agonists have limited use in pediatric patients, there is a need for alternative cGMP-elevating agents that are effective in the intestine. The present study aimed to determine whether the PDE-5 inhibitor sildenafil has similar effects as linaclotide on preclinical models of constipation. Oral administration of sildenafil caused increased cGMP levels in mouse intestinal epithelium demonstrating that blocking cGMP-breakdown is an alternative approach to increase cGMP in the gut. Both linaclotide and sildenafil reduced proliferation and increased differentiation in colon mucosa, indicating common target pathways. The homeostatic effects of cGMP required gut turnover since maximal effects were observed after 3 days of treatment. Neither linaclotide nor sildenafil treatment affected intestinal transit or water content of fecal pellets in healthy mice. To test the effectiveness of cGMP elevation in a functional motility disorder model, mice were treated with dextran sulfate sodium (DSS to induce colitis and were allowed to recover for several weeks. The recovered animals exhibited slower transit, but increased fecal water content. An acute dose of sildenafil was able to normalize transit and fecal water content in the DSS-recovery animal model, and also in loperamide-induced constipation. The higher fecal water content in the recovered animals was due to a compromised epithelial barrier, which was normalized by sildenafil treatment. Taken together our results show that sildenafil can have similar effects as linaclotide on the intestine, and may have therapeutic benefit to patients with CIC, IBS-C, and post-infectious IBS.
Directory of Open Access Journals (Sweden)
Barry J Grant
2009-03-01
Full Text Available Ras mediates signaling pathways controlling cell proliferation and development by cycling between GTP- and GDP-bound active and inactive conformational states. Understanding the complete reaction path of this conformational change and its intermediary structures is critical to understanding Ras signaling. We characterize nucleotide-dependent conformational transition using multiple-barrier-crossing accelerated molecular dynamics (aMD simulations. These transitions, achieved for the first time for wild-type Ras, are impossible to observe with classical molecular dynamics (cMD simulations due to the large energetic barrier between end states. Mapping the reaction path onto a conformer plot describing the distribution of the crystallographic structures enabled identification of highly populated intermediate structures. These structures have unique switch orientations (residues 25-40 and 57-75 intermediate between GTP and GDP states, or distinct loop3 (46-49, loop7 (105-110, and alpha5 C-terminus (159-166 conformations distal from the nucleotide-binding site. In addition, these barrier-crossing trajectories predict novel nucleotide-dependent correlated motions, including correlations of alpha2 (residues 66-74 with alpha3-loop7 (93-110, loop2 (26-37 with loop10 (145-151, and loop3 (46-49 with alpha5 (152-167. The interconversion between newly identified Ras conformations revealed by this study advances our mechanistic understanding of Ras function. In addition, the pattern of correlated motions provides new evidence for a dynamic linkage between the nucleotide-binding site and the membrane interacting C-terminus critical for the signaling function of Ras. Furthermore, normal mode analysis indicates that the dominant collective motion that occurs during nucleotide-dependent conformational exchange, and captured in aMD (but absent in cMD simulations, is a low-frequency motion intrinsic to the structure.
Directory of Open Access Journals (Sweden)
Khamma Homsysavath
2011-08-01
Full Text Available Taking Luangprabang province in Lao Peoples’s Democratic Republic (PDR as an example, we simulated future forest cover changes under the business-as-usual (BAU, pessimistic and optimistic scenarios based on the Markov-cellular automata (MCA model. We computed transition probabilities from satellite-derived forest cover maps (1993 and 2000 using the Markov chains, while the “weights of evidence” technique was used to generate transition potential maps. The initial forest cover map (1993, the transition potential maps and the 1993–2000 transition probabilities were used to calibrate the model. Forest cover simulations were then performed from 1993 to 2007 at an annual time-step. The simulated forest cover map for 2007 was compared to the observed (actual forest cover map for 2007 in order to test the accuracy of the model. Following the successful calibration and validation, future forest cover changes were simulated up to 2014 under different scenarios. The MCA simulations under the BAU and pessimistic scenarios projected that current forest areas would decrease, whereas unstocked forest areas would increase in the future. Conversely, the optimistic scenario projected that current forest areas would increase in the future if strict forestry laws enforcing conservation in protected forest areas are implemented. The three simulation scenarios provide a very good case study for simulating future forest cover changes at the subnational level (Luangprabang province. Thus, the future simulated forest cover changes can possibly be used as a guideline to set reference scenarios as well as undertake REDD/REDD+ preparedness activities within the study area.
E1 transitions in the Harari quark model
International Nuclear Information System (INIS)
Kamath, S.G.
1976-10-01
The radiative decays psi(3.684)→γchi(sup(3)P sub(J)) and chi(sup(3)Psub(J)→chipsi(3.1) have been analyzed within the framework of the Harari quark model. The spatial matrix elements describing these L=1 to L=0 transitions have been estimated from the A 2 (1310)→ chirho(770) mode by applying U(6) symmetry at the quark level. The resulting decay widths, which compare very well with experimental data, have subsequently been used to determine the SU(3)sub(H) assignments for the chi states
Predictors of stage transitions in the precaution adoption process model.
de Vet, Emely; de Nooijer, Jascha; Oenema, Anke; de Vries, Nanne K; Brug, Johannes
2008-01-01
To explore psychosocial correlates and predictors of stage transitions in the precaution adoption process model (PAPM) for fruit intake. A cohort completed three electronic questionnaires, at baseline (time 0), 35 days later (time 1), and another 32 days later (time 2). Secured Internet Web site. A cohort of 735 adults was formed from a random sample of an existing Internet panel. The mean age was 37.5 years, 51% were women, and 90% were of Dutch origin. Most respondents (48%) had a medium level of education. Precaution adoption process model stage, risk perception, perception of own fruit intake level, attitude, pros, cons, subjective norms, social support, modeling, self-efficacy, and fruit intake (assessed using a food frequency questionnaire). Cross-sectional differences in psychosocial variables and fruit intake across PAPM stages at baseline were analyzed using analysis of variance with Tukey multiple comparisons tests. Predictors of PAPM stage transitions between time 0 and time 1 and between time 1 and time 2 were analyzed using logistic regression analysis. Factors related to attitude and social influences may be important if one is to decide to act, whereas strong self-efficacy may also be required for acting on the decision to act. Although the results should be replicated in a larger and more representative sample, the PAPM seems a good framework for studying fruit intake.
A dynamic phase transition model for spatial agglomeration processes.
Weidlich, W; Haag, G
1987-11-01
A nonlinear model of population migration is presented in order to provide a dynamic explanation for the formation of metropolitan areas. "In Section 2 the model is introduced in terms of the rate equations for the mean values of the regional population numbers with specifically chosen individual transition rates. Section 3 gives a survey of concepts and results for the convenience of the reader not interested in the details of the mathematical derivations. Section 4 derives the stationary solutions of the rate equations, that is, the equilibria of the system. Section 5 treats the time dependent solutions of the model equations focussing on the exact analytic solutions along so-called symmetry paths. Section 6 analyzes the dynamic stability of the symmetry path solutions and decides which stationary states are unstable and which are stable equilibrium states." excerpt
A model of interacting strings and the Hagedorn phase transition
International Nuclear Information System (INIS)
Lizzi, F.; Senda, I.
1990-03-01
In this letter we introduce a model of interacting string in which the usual ideal gas approximations are not made. The model is constructed in analogy with nucleation models, the formation of droplets in a supersaturate gas. We consider the strings to be interacting and their number not fixed. The equilibrium configuration is the one for which the time derivatives of the number of strings in the various energies vanishes. We evaluate numerically the equilibrium configurations for various values of the energy density. We find that a density of order one in planck units there is a sharp transition, from a 'gas' phase in which there are many strings, all in the massless or first few excited states, to a 'liquid' phase in which all strings have coalesced into one (or few) highly excited string. (author). 14 refs, 4 figs
Biomechanics trends in modeling and simulation
Ogden, Ray
2017-01-01
The book presents a state-of-the-art overview of biomechanical and mechanobiological modeling and simulation of soft biological tissues. Seven well-known scientists working in that particular field discuss topics such as biomolecules, networks and cells as well as failure, multi-scale, agent-based, bio-chemo-mechanical and finite element models appropriate for computational analysis. Applications include arteries, the heart, vascular stents and valve implants as well as adipose, brain, collagenous and engineered tissues. The mechanics of the whole cell and sub-cellular components as well as the extracellular matrix structure and mechanotransduction are described. In particular, the formation and remodeling of stress fibers, cytoskeletal contractility, cell adhesion and the mechanical regulation of fibroblast migration in healing myocardial infarcts are discussed. The essential ingredients of continuum mechanics are provided. Constitutive models of fiber-reinforced materials with an emphasis on arterial walls ...
Simulations, evaluations and models. Vol. 1
International Nuclear Information System (INIS)
Brehmer, B.; Leplat, J.
1992-01-01
Papers presented at the Fourth MOHAWC (Models of Human Activities in Work Context) workshop. The general theme was simulations, evaluations and models. The emphasis was on time in relation to the modelling of human activities in modern, high tech. work. Such work often requires people to control dynamic systems, and the behaviour and misbehaviour of these systems in time is a principle focus of work in, for example, a modern process plant. The papers report on microworlds and on their innovative uses, both in the form of experiments and in the form of a new form of use, that of testing a program which performs diagnostic reasoning. They present new aspects on the problem of time in process control, showing the importance of considering the time scales of dynamic tasks, both in individual decision making and in distributed decision making, and in providing new formalisms, both for the representation of time and for reasoning involving time in diagnosis. (AB)
Traffic flow dynamics data, models and simulation
Treiber, Martin
2013-01-01
This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on ...
Modelling and Simulation for Major Incidents
Directory of Open Access Journals (Sweden)
Eleonora Pacciani
2015-11-01
Full Text Available In recent years, there has been a rise in Major Incidents with big impact on the citizens health and the society. Without the possibility of conducting live experiments when it comes to physical and/or toxic trauma, only an accurate in silico reconstruction allows us to identify organizational solutions with the best possible chance of success, in correlation with the limitations on available resources (e.g. medical team, first responders, treatments, transports, and hospitals availability and with the variability of the characteristic of event (e.g. type of incident, severity of the event and type of lesions. Utilizing modelling and simulation techniques, a simplified mathematical model of physiological evolution for patients involved in physical and toxic trauma incident scenarios has been developed and implemented. The model formalizes the dynamics, operating standards and practices of medical response and the main emergency service in the chain of emergency management during a Major Incident.
Qualitative simulation in formal process modelling
International Nuclear Information System (INIS)
Sivertsen, Elin R.
1999-01-01
In relation to several different research activities at the OECD Halden Reactor Project, the usefulness of formal process models has been identified. Being represented in some appropriate representation language, the purpose of these models is to model process plants and plant automatics in a unified way to allow verification and computer aided design of control strategies. The present report discusses qualitative simulation and the tool QSIM as one approach to formal process models. In particular, the report aims at investigating how recent improvements of the tool facilitate the use of the approach in areas like process system analysis, procedure verification, and control software safety analysis. An important long term goal is to provide a basis for using qualitative reasoning in combination with other techniques to facilitate the treatment of embedded programmable systems in Probabilistic Safety Analysis (PSA). This is motivated from the potential of such a combination in safety analysis based on models comprising both software, hardware, and operator. It is anticipated that the research results from this activity will benefit V and V in a wide variety of applications where formal process models can be utilized. Examples are operator procedures, intelligent decision support systems, and common model repositories (author) (ml)
A new model to simulate climate-change impacts on forest succession for local land management.
Yospin, Gabriel I; Bridgham, Scott D; Neilson, Ronald P; Bolte, John P; Bachelet, Dominique M; Gould, Peter J; Harrington, Constance A; Kertis, Jane A; Evers, Cody; Johnson, Bart R
2015-01-01
We developed a new climate-sensitive vegetation state-and-transition simulation model (CV-STSM) to simulate future vegetation at a fine spatial grain commensurate with the scales of human land-use decisions, and under the joint influences of changing climate, site productivity, and disturbance. CV-STSM integrates outputs from four different modeling systems. Successional changes in tree species composition and stand structure were represented as transition probabilities and organized into a state-and-transition simulation model. States were characterized based on assessments of both current vegetation and of projected future vegetation from a dynamic global vegetation model (DGVM). State definitions included sufficient detail to support the integration of CV-STSM with an agent-based model of land-use decisions and a mechanistic model of fire behavior and spread. Transition probabilities were parameterized using output from a stand biometric model run across a wide range of site productivities. Biogeographic and biogeochemical projections from the DGVM were used to adjust the transition probabilities to account for the impacts of climate change on site productivity and potential vegetation type. We conducted experimental simulations in the Willamette Valley, Oregon, USA. Our simulation landscape incorporated detailed new assessments of critically imperiled Oregon white oak (Quercus garryana) savanna and prairie habitats among the suite of existing and future vegetation types. The experimental design fully crossed four future climate scenarios with three disturbance scenarios. CV-STSM showed strong interactions between climate and disturbance scenarios. All disturbance scenarios increased the abundance of oak savanna habitat, but an interaction between the most intense disturbance and climate-change scenarios also increased the abundance of subtropical tree species. Even so, subtropical tree species were far less abundant at the end of simulations in CV-STSM than in
Czocher, Jennifer A.
2016-01-01
This study contributes a methodological tool to reconstruct the cognitive processes and mathematical activities carried out by mathematical modelers. Represented as Modeling Transition Diagrams (MTDs), individual modeling routes were constructed for four engineering undergraduate students. Findings stress the importance and limitations of using…
Yuan, Chengcheng; Liu, Liming; Ye, Jinwei; Ren, Guoping; Zhuo, Dong; Qi, Xiaoxing
2017-05-01
Water pollution caused by anthropogenic activities and driven by changes in rural livelihood strategies in an agricultural system has received increasing attention in recent decades. To simulate the effects of rural household livelihood transition on non-point source (NPS) pollution, a model combining an agent-based model (ABM) and an improved export coefficient model (IECM) was developed. The ABM was adopted to simulate the dynamic process of household livelihood transition, and the IECM was employed to estimate the effects of household livelihood transition on NPS pollution. The coupled model was tested in a small catchment in the Dongting Lake region, China. The simulated results reveal that the transition of household livelihood strategies occurred with the changes in the prices of rice, pig, and labor. Thus, the cropping system, land-use intensity, resident population, and number of pigs changed in the small catchment from 2000 to 2014. As a result of these changes, the total nitrogen load discharged into the river initially increased from 6841.0 kg in 2000 to 8446.3 kg in 2004 and then decreased to 6063.9 kg in 2014. Results also suggest that rural living, livestock, paddy field, and precipitation alternately became the main causes of NPS pollution in the small catchment, and the midstream region of the small catchment was the primary area for NPS pollution from 2000 to 2014. Despite some limitations, the coupled model provides an innovative way to simulate the effects of rural household livelihood transition on NPS pollution with the change of socioeconomic factors, and thereby identify the key factors influencing water pollution to provide valuable suggestions on how agricultural environmental risks can be reduced through the regulation of the behaviors of farming households in the future.
Heinrich events modeled in transient glacial simulations
Ziemen, Florian; Kapsch, Marie; Mikolajewicz, Uwe
2017-04-01
Heinrich events are among the most prominent events of climate variability recorded in proxies across the northern hemisphere. They are the archetype of ice sheet — climate interactions on millennial time scales. Nevertheless, the exact mechanisms that cause Heinrich events are still under debate, and their climatic consequences are far from being fully understood. We address open questions by studying Heinrich events in a coupled ice sheet model (ISM) atmosphere-ocean-vegetation general circulation model (AOVGCM) framework, where this variability occurs as part of the model generated internal variability. The framework consists of a northern hemisphere setup of the modified Parallel Ice Sheet Model (mPISM) coupled to the global AOVGCM ECHAM5/MPIOM/LPJ. The simulations were performed fully coupled and with transient orbital and greenhouse gas forcing. They span from several millennia before the last glacial maximum into the deglaciation. To make these long simulations feasible, the atmosphere is accelerated by a factor of 10 relative to the other model components using a periodical-synchronous coupling technique. To disentangle effects of the Heinrich events and the deglaciation, we focus on the events occurring before the deglaciation. The modeled Heinrich events show a peak ice discharge of about 0.05 Sv and raise the sea level by 2.3 m on average. The resulting surface water freshening reduces the Atlantic meridional overturning circulation and ocean heat release. The reduction in ocean heat release causes a sub-surface warming and decreases the air temperature and precipitation regionally and downstream into Eurasia. The surface elevation decrease of the ice sheet enhances moisture transport onto the ice sheet and thus increases precipitation over the Hudson Bay area, thereby accelerating the recovery after an event.
Blessent, Daniela; Therrien, René; Lemieux, Jean-Michel
2011-12-01
This paper presents numerical simulations of a series of hydraulic interference tests conducted in crystalline bedrock at Olkiluoto (Finland), a potential site for the disposal of the Finnish high-level nuclear waste. The tests are in a block of crystalline bedrock of about 0.03 km3 that contains low-transmissivity fractures. Fracture density, orientation, and fracture transmissivity are estimated from Posiva Flow Log (PFL) measurements in boreholes drilled in the rock block. On the basis of those data, a geostatistical approach relying on a transitional probability and Markov chain models is used to define a conceptual model based on stochastic fractured rock facies. Four facies are defined, from sparsely fractured bedrock to highly fractured bedrock. Using this conceptual model, three-dimensional groundwater flow is then simulated to reproduce interference pumping tests in either open or packed-off boreholes. Hydraulic conductivities of the fracture facies are estimated through automatic calibration using either hydraulic heads or both hydraulic heads and PFL flow rates as targets for calibration. The latter option produces a narrower confidence interval for the calibrated hydraulic conductivities, therefore reducing the associated uncertainty and demonstrating the usefulness of the measured PFL flow rates. Furthermore, the stochastic facies conceptual model is a suitable alternative to discrete fracture network models to simulate fluid flow in fractured geological media.